 | |||||||||||||||
 |
 |
 |
|
 |
|
 |
|
 |
|
 |
|
 |
|
 |
 |
AMBER Archive (2009)
Subject: [AMBER] Re: EEL = *************
From: Taufik Al-Sarraj (taufik.alsarraj_at_utoronto.ca)
Date: Tue Dec 08 2009 - 12:34:35 CST
- Previous message: Anthony Pemberton: "[AMBER] myristate to palmitate transformation"
- In reply to: FyD: "Re: [AMBER] Parametrizing charges for modified DNA bases"
- Next in thread: Taufik Al-Sarraj: "[AMBER] ptraj image"
- Reply: Taufik Al-Sarraj: "[AMBER] ptraj image"
- Reply: case: "Re: [AMBER] Re: EEL = *************"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]
Hi,
During minimization of an inhomogeneous system i get a very high energy.
"NSTEP ENERGY RMS GMAX NAME NUMBER
900 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED =
3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND =
0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT =
4677.4457
EAMBER = *************
"
i attached the mol2 file of my system and below are the files and
scripts i use. i also attached the outputs of the two minimizations. is
there a way to make this system more stable?
I am not bothered by the " Processor 0
***** System must be very inhomogeneous.
***** Readjusting recip sizes." message. as when i run the minimization
on one processor i don't get this message -as discussed in the archive.
Thanks
in xleap
{
Sur = loadmol2 surfacenc.mol2
source leaprc.gaff
source leaprc.ff99SB
loadamberparams surfaceforce.frcmod
solvatebox sur TIP3PBOX 10.0
saveamberparm sur csurcnw.prmtop csurcnw.inpcrd
}
min1
{System minimization -fixed Surface and functional groups
&cntrl
imin = 1,
maxcyc = 1000,
ncyc = 500,
ntf = 2,
ntc = 2,
ntb = 1,
ntr = 1,
iwrap = 1,
cut = 12
/
Hold the Surface-APTMS fixed
40.0
RES 1 2
END
END
{
min2
{ System minimization -fixed surface
&cntrl
imin = 1,
maxcyc = 20000,
ncyc = 10000,
ntb = 1,
ntr = 1,
iwrap = 1,
cut = 12
/
Hold Surface fixed
40.0
RES 1 1
END
END
}
#
# Creating user name: taufik InsightII
# Creation time: Thu Apr 30 19:04:23 2009
@<TRIPOS>MOLECULE
SUR
3520 3700 2 0
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1 A1 2.0002 -1.1548 1.8017 Si 1 SUR 1.7750
2 A2 0.0000 2.3096 3.6035 Si 1 SUR 1.7750
3 O1 2.2546 1.3017 0.0000 O 1 SUR -0.7100
4 A3 2.2546 1.3017 5.4052 Si 1 SUR 1.7750
5 O2 1.7598 0.2987 1.1573 O 1 SUR -0.7100
6 O3 1.9690 1.1308 7.3411 O 1 SUR -0.4340
7 O4 3.1162 -1.0818 2.9590 O 1 SUR -0.7100
8 O5 3.6336 0.7831 4.7607 O 1 SUR -0.7100
9 O6 1.1386 1.3747 4.2479 O 1 SUR -0.7100
10 O7 0.6212 3.2396 2.4462 O 1 SUR -0.7100
11 O8 2.4950 2.7552 0.6445 O 1 SUR -0.7100
12 O9 2.4950 2.7552 6.0497 O 1 SUR -0.7100
13 Oa 37.1545 18.5702 2.9590 O 1 SUR -0.7100
14 Ob 37.6718 20.4351 4.7607 O 1 SUR -0.7100
15 A4 38.2930 19.5051 3.6035 Si 1 SUR 1.7750
16 Oc 40.5477 18.4972 0.0000 O 1 SUR -0.7100
17 Od 40.0528 17.4942 1.1573 O 1 SUR -0.7100
18 Oe 39.4316 18.5702 4.2479 O 1 SUR -0.7100
19 Of 38.9142 20.4351 2.4462 O 1 SUR -0.7100
20 O10 40.7881 19.9507 0.6445 O 1 SUR -0.7100
21 O11 40.7881 19.9507 6.0497 O 1 SUR -0.7100
22 A5 0.0000 41.6136 3.6035 Si 1 SUR 1.7750
23 O12 2.2546 40.6057 0.0000 O 1 SUR -0.7100
24 O13 0.6212 42.5436 2.4462 O 1 SUR -0.7100
25 O14 2.4950 42.0592 0.6445 O 1 SUR -0.7100
26 O15 2.4950 42.0592 6.0497 O 1 SUR -0.7100
27 O16 37.1545 23.4832 2.9590 O 1 SUR -0.7100
28 O17 37.6718 25.3481 4.7607 O 1 SUR -0.7100
29 A6 40.2932 20.9537 1.8017 Si 1 SUR 1.7750
30 A7 38.2930 24.4181 3.6035 Si 1 SUR 1.7750
31 O18 40.5477 23.4102 0.0000 O 1 SUR -0.7100
32 A8 40.5477 23.4102 5.4052 Si 1 SUR 1.7750
33 O19 40.0528 22.4072 1.1573 O 1 SUR -0.7100
34 O1a 40.3163 23.2557 7.3535 O 1 SUR -0.4340
35 O1b 41.4092 21.0267 2.9590 O 1 SUR -0.7100
36 O1c 41.9266 22.8916 4.7607 O 1 SUR -0.7100
37 O1d 39.4316 23.4832 4.2479 O 1 SUR -0.7100
38 O1e 38.9142 25.3481 2.4462 O 1 SUR -0.7100
39 O1f 40.7881 24.8637 0.6445 O 1 SUR -0.7100
40 O20 40.7881 24.8637 6.0497 O 1 SUR -0.7100
41 A9 2.0002 43.0622 1.8017 Si 1 SUR 1.7750
42 Aa 0.0000 46.5266 3.6035 Si 1 SUR 1.7750
43 O21 2.2546 45.5187 0.0000 O 1 SUR -0.7100
44 Ab 2.2546 45.5187 5.4052 Si 1 SUR 1.7750
45 O22 1.7598 44.5157 1.1573 O 1 SUR -0.7100
46 O23 2.0212 45.3337 7.3475 O 1 SUR -0.4340
47 O24 3.1162 43.1352 2.9590 O 1 SUR -0.7100
48 O25 3.6336 45.0001 4.7607 O 1 SUR -0.7100
49 O26 1.1386 45.5917 4.2479 O 1 SUR -0.7100
50 O27 0.6212 47.4566 2.4462 O 1 SUR -0.7100
51 O28 2.4950 46.9722 0.6445 O 1 SUR -0.7100
52 O29 2.4950 46.9722 6.0497 O 1 SUR -0.7100
53 Ac 4.2548 44.0701 3.6035 Si 1 SUR 1.7750
54 O2a 6.5094 43.0622 0.0000 O 1 SUR -0.7100
55 O2b 5.3934 43.1352 4.2479 O 1 SUR -0.7100
56 O2c 4.8760 45.0001 2.4462 O 1 SUR -0.7100
57 O2d 6.7498 44.5157 0.6445 O 1 SUR -0.7100
58 O2e 6.7498 44.5157 6.0497 O 1 SUR -0.7100
59 O2f 10.7642 40.6057 0.0000 O 1 SUR -0.7100
60 O30 9.1308 42.5436 2.4462 O 1 SUR -0.7100
61 O31 11.0046 42.0592 0.6445 O 1 SUR -0.7100
62 O32 15.0190 38.1492 0.0000 O 1 SUR -0.7100
63 O33 13.3855 40.0871 2.4462 O 1 SUR -0.7100
64 O34 15.2594 39.6027 0.6445 O 1 SUR -0.7100
65 O35 19.2737 35.6927 0.0000 O 1 SUR -0.7100
66 O36 17.6403 37.6306 2.4462 O 1 SUR -0.7100
67 O37 19.5141 37.1462 0.6445 O 1 SUR -0.7100
68 O38 23.5285 33.2362 0.0000 O 1 SUR -0.7100
69 O39 21.8951 35.1741 2.4462 O 1 SUR -0.7100
70 O3a 23.7689 34.6897 0.6445 O 1 SUR -0.7100
71 O3b 27.7833 30.7797 0.0000 O 1 SUR -0.7100
72 O3c 26.1499 32.7176 2.4462 O 1 SUR -0.7100
73 O3d 28.0237 32.2332 0.6445 O 1 SUR -0.7100
74 O3e 32.0381 28.3232 0.0000 O 1 SUR -0.7100
75 O3f 30.4047 30.2611 2.4462 O 1 SUR -0.7100
76 O40 32.2785 29.7767 0.6445 O 1 SUR -0.7100
77 O41 36.2929 25.8667 0.0000 O 1 SUR -0.7100
78 O42 34.6595 27.8046 2.4462 O 1 SUR -0.7100
79 O43 36.5333 27.3202 0.6445 O 1 SUR -0.7100
80 O44 37.1545 -20.7338 2.9590 O 1 SUR -0.7100
81 O45 37.6718 -18.8689 4.7607 O 1 SUR -0.7100
82 Ad 40.2932 -23.2633 1.8017 Si 1 SUR 1.7750
83 Ae 38.2930 -19.7989 3.6035 Si 1 SUR 1.7750
84 O46 40.5477 -20.8068 0.0000 O 1 SUR -0.7100
85 Af 40.5477 -20.8068 5.4052 Si 1 SUR 1.7750
86 O47 40.0528 -21.8098 1.1573 O 1 SUR -0.7100
87 O48 40.3119 -20.9827 7.3485 O 1 SUR -0.4340
88 O49 41.4092 -23.1903 2.9590 O 1 SUR -0.7100
89 O4a 41.9266 -21.3254 4.7607 O 1 SUR -0.7100
90 O4b 39.4316 -20.7338 4.2479 O 1 SUR -0.7100
91 O4c 38.9142 -18.8689 2.4462 O 1 SUR -0.7100
92 O4d 40.7881 -19.3533 0.6445 O 1 SUR -0.7100
93 O4e 40.7881 -19.3533 6.0497 O 1 SUR -0.7100
94 A10 6.2550 -3.6113 1.8017 Si 1 SUR 1.7750
95 A11 4.2548 -0.1469 3.6035 Si 1 SUR 1.7750
96 O4f 6.5094 -1.1548 0.0000 O 1 SUR -0.7100
97 A12 6.5094 -1.1548 5.4052 Si 1 SUR 1.7750
98 O50 6.0146 -2.1578 1.1573 O 1 SUR -0.7100
99 O51 6.2275 -1.3249 7.3412 O 1 SUR -0.4340
100 O52 7.3710 -3.5383 2.9590 O 1 SUR -0.7100
101 O53 7.8884 -1.6734 4.7607 O 1 SUR -0.7100
102 O54 5.3934 -1.0818 4.2479 O 1 SUR -0.7100
103 O55 4.8760 0.7831 2.4462 O 1 SUR -0.7100
104 O56 6.7498 0.2987 0.6445 O 1 SUR -0.7100
105 O57 6.7498 0.2987 6.0497 O 1 SUR -0.7100
106 A13 10.5097 -6.0678 1.8017 Si 1 SUR 1.7750
107 A14 8.5096 -2.6034 3.6035 Si 1 SUR 1.7750
108 O58 10.7642 -3.6113 0.0000 O 1 SUR -0.7100
109 A15 10.7642 -3.6113 5.4052 Si 1 SUR 1.7750
110 O59 10.2693 -4.6143 1.1573 O 1 SUR -0.7100
111 O5a 10.4932 -3.7798 7.3434 O 1 SUR -0.4340
112 O5b 11.6258 -5.9948 2.9590 O 1 SUR -0.7100
113 O5c 12.1432 -4.1299 4.7607 O 1 SUR -0.7100
114 O5d 9.6481 -3.5383 4.2479 O 1 SUR -0.7100
115 O5e 9.1308 -1.6734 2.4462 O 1 SUR -0.7100
116 O5f 11.0046 -2.1578 0.6445 O 1 SUR -0.7100
117 O60 11.0046 -2.1578 6.0497 O 1 SUR -0.7100
118 A16 14.7645 -8.5243 1.8017 Si 1 SUR 1.7750
119 A17 12.7643 -5.0599 3.6035 Si 1 SUR 1.7750
120 O61 15.0190 -6.0678 0.0000 O 1 SUR -0.7100
121 A18 15.0190 -6.0678 5.4052 Si 1 SUR 1.7750
122 O62 14.5241 -7.0708 1.1573 O 1 SUR -0.7100
123 O63 14.7360 -6.2373 7.3413 O 1 SUR -0.4340
124 O64 15.8806 -8.4513 2.9590 O 1 SUR -0.7100
125 O65 16.3979 -6.5864 4.7607 O 1 SUR -0.7100
126 O66 13.9029 -5.9948 4.2479 O 1 SUR -0.7100
127 O67 13.3855 -4.1299 2.4462 O 1 SUR -0.7100
128 O68 15.2594 -4.6143 0.6445 O 1 SUR -0.7100
129 O69 15.2594 -4.6143 6.0497 O 1 SUR -0.7100
130 A19 19.0193 -10.9808 1.8017 Si 1 SUR 1.7750
131 A1a 17.0191 -7.5164 3.6035 Si 1 SUR 1.7750
132 O6a 19.2737 -8.5243 0.0000 O 1 SUR -0.7100
133 A1b 19.2737 -8.5243 5.4052 Si 1 SUR 1.7750
134 O6b 18.7789 -9.5273 1.1573 O 1 SUR -0.7100
135 O6c 18.9907 -8.6938 7.3408 O 1 SUR -0.4340
136 O6d 20.1353 -10.9078 2.9590 O 1 SUR -0.7100
137 O6e 20.6527 -9.0429 4.7607 O 1 SUR -0.7100
138 O6f 18.1577 -8.4513 4.2479 O 1 SUR -0.7100
139 O70 17.6403 -6.5864 2.4462 O 1 SUR -0.7100
140 O71 19.5141 -7.0708 0.6445 O 1 SUR -0.7100
141 O72 19.5141 -7.0708 6.0497 O 1 SUR -0.7100
142 A1c 23.2741 -13.4373 1.8017 Si 1 SUR 1.7750
143 A1d 21.2739 -9.9729 3.6035 Si 1 SUR 1.7750
144 O73 23.5285 -10.9808 0.0000 O 1 SUR -0.7100
145 A1e 23.5285 -10.9808 5.4052 Si 1 SUR 1.7750
146 O74 23.0337 -11.9838 1.1573 O 1 SUR -0.7100
147 O75 23.2489 -11.1454 7.3427 O 1 SUR -0.4340
148 O76 24.3901 -13.3643 2.9590 O 1 SUR -0.7100
149 O77 24.9075 -11.4994 4.7607 O 1 SUR -0.7100
150 O78 22.4125 -10.9078 4.2479 O 1 SUR -0.7100
151 O79 21.8951 -9.0429 2.4462 O 1 SUR -0.7100
152 O7a 23.7689 -9.5273 0.6445 O 1 SUR -0.7100
153 O7b 23.7689 -9.5273 6.0497 O 1 SUR -0.7100
154 A1f 27.5289 -15.8938 1.8017 Si 1 SUR 1.7750
155 A20 25.5287 -12.4294 3.6035 Si 1 SUR 1.7750
156 O7c 27.7833 -13.4373 0.0000 O 1 SUR -0.7100
157 A21 27.7833 -13.4373 5.4052 Si 1 SUR 1.7750
158 O7d 27.2885 -14.4403 1.1573 O 1 SUR -0.7100
159 O7e 27.5005 -13.5974 7.3420 O 1 SUR -0.4340
160 O7f 28.6449 -15.8208 2.9590 O 1 SUR -0.7100
161 O80 29.1623 -13.9559 4.7607 O 1 SUR -0.7100
162 O81 26.6673 -13.3643 4.2479 O 1 SUR -0.7100
163 O82 26.1499 -11.4994 2.4462 O 1 SUR -0.7100
164 O83 28.0237 -11.9838 0.6445 O 1 SUR -0.7100
165 O84 28.0237 -11.9838 6.0497 O 1 SUR -0.7100
166 A22 31.7837 -18.3503 1.8017 Si 1 SUR 1.7750
167 A23 29.7835 -14.8859 3.6035 Si 1 SUR 1.7750
168 O85 32.0381 -15.8938 0.0000 O 1 SUR -0.7100
169 A24 32.0381 -15.8938 5.4052 Si 1 SUR 1.7750
170 O86 31.5433 -16.8968 1.1573 O 1 SUR -0.7100
171 O87 31.7656 -16.0637 7.3425 O 1 SUR -0.4340
172 O88 32.8997 -18.2773 2.9590 O 1 SUR -0.7100
173 O89 33.4171 -16.4124 4.7607 O 1 SUR -0.7100
174 O8a 30.9221 -15.8208 4.2479 O 1 SUR -0.7100
175 O8b 30.4047 -13.9559 2.4462 O 1 SUR -0.7100
176 O8c 32.2785 -14.4403 0.6445 O 1 SUR -0.7100
177 O8d 32.2785 -14.4403 6.0497 O 1 SUR -0.7100
178 A25 36.0384 -20.8068 1.8017 Si 1 SUR 1.7750
179 A26 34.0383 -17.3424 3.6035 Si 1 SUR 1.7750
180 O8e 36.2929 -18.3503 0.0000 O 1 SUR -0.7100
181 A27 36.2929 -18.3503 5.4052 Si 1 SUR 1.7750
182 O8f 35.7980 -19.3533 1.1573 O 1 SUR -0.7100
183 O90 36.0157 -18.5250 7.3414 O 1 SUR -0.4340
184 O91 35.1768 -18.2773 4.2479 O 1 SUR -0.7100
185 O92 34.6595 -16.4124 2.4462 O 1 SUR -0.7100
186 O93 36.5333 -16.8968 0.6445 O 1 SUR -0.7100
187 O94 36.5333 -16.8968 6.0497 O 1 SUR -0.7100
188 A28 40.2932 -18.3503 1.8017 Si 1 SUR 1.7750
189 O95 41.4092 -18.2773 2.9590 O 1 SUR -0.7100
190 O96 41.9266 -16.4124 4.7607 O 1 SUR -0.7100
191 A29 2.0002 3.7582 1.8017 Si 1 SUR 1.7750
192 A2a 0.0000 7.2226 3.6035 Si 1 SUR 1.7750
193 O97 2.2546 6.2147 0.0000 O 1 SUR -0.7100
194 A2b 2.2546 6.2147 5.4052 Si 1 SUR 1.7750
195 O98 1.7598 5.2117 1.1573 O 1 SUR -0.7100
196 O99 1.9821 6.0457 7.3429 O 1 SUR -0.4340
197 O9a 3.1162 3.8312 2.9590 O 1 SUR -0.7100
198 O9b 3.6336 5.6961 4.7607 O 1 SUR -0.7100
199 O9c 1.1386 6.2877 4.2479 O 1 SUR -0.7100
200 O9d 0.6212 8.1526 2.4462 O 1 SUR -0.7100
201 O9e 2.4950 7.6682 0.6445 O 1 SUR -0.7100
202 O9f 2.4950 7.6682 6.0497 O 1 SUR -0.7100
203 A2c 6.2550 1.3017 1.8017 Si 1 SUR 1.7750
204 A2d 4.2548 4.7661 3.6035 Si 1 SUR 1.7750
205 Oa0 6.5094 3.7582 0.0000 O 1 SUR -0.7100
206 A2e 6.5094 3.7582 5.4052 Si 1 SUR 1.7750
207 Oa1 6.0146 2.7552 1.1573 O 1 SUR -0.7100
208 Oa2 6.2349 3.6159 7.3456 O 1 SUR -0.4340
209 Oa3 7.3710 1.3747 2.9590 O 1 SUR -0.7100
210 Oa4 7.8884 3.2396 4.7607 O 1 SUR -0.7100
211 Oa5 5.3934 3.8312 4.2479 O 1 SUR -0.7100
212 Oa6 4.8760 5.6961 2.4462 O 1 SUR -0.7100
213 Oa7 6.7498 5.2117 0.6445 O 1 SUR -0.7100
214 Oa8 6.7498 5.2117 6.0497 O 1 SUR -0.7100
215 A2f 10.5097 -1.1548 1.8017 Si 1 SUR 1.7750
216 A30 8.5096 2.3096 3.6035 Si 1 SUR 1.7750
217 Oa9 10.7642 1.3017 0.0000 O 1 SUR -0.7100
218 A31 10.7642 1.3017 5.4052 Si 1 SUR 1.7750
219 Oaa 10.2693 0.2987 1.1573 O 1 SUR -0.7100
220 Oab 10.4848 1.1569 7.3458 O 1 SUR -0.4340
221 Oac 11.6258 -1.0818 2.9590 O 1 SUR -0.7100
222 Oad 12.1432 0.7831 4.7607 O 1 SUR -0.7100
223 Oae 9.6481 1.3747 4.2479 O 1 SUR -0.7100
224 Oaf 9.1308 3.2396 2.4462 O 1 SUR -0.7100
225 Ob0 11.0046 2.7552 0.6445 O 1 SUR -0.7100
226 Ob1 11.0046 2.7552 6.0497 O 1 SUR -0.7100
227 A32 14.7645 -3.6113 1.8017 Si 1 SUR 1.7750
228 A33 12.7643 -0.1469 3.6035 Si 1 SUR 1.7750
229 Ob2 15.0190 -1.1548 0.0000 O 1 SUR -0.7100
230 A34 15.0190 -1.1548 5.4052 Si 1 SUR 1.7750
231 Ob3 14.5241 -2.1578 1.1573 O 1 SUR -0.7100
232 Ob4 14.7367 -1.2969 7.3446 O 1 SUR -0.4340
233 Ob5 15.8806 -3.5383 2.9590 O 1 SUR -0.7100
234 Ob6 16.3979 -1.6734 4.7607 O 1 SUR -0.7100
235 Ob7 13.9029 -1.0818 4.2479 O 1 SUR -0.7100
236 Ob8 13.3855 0.7831 2.4462 O 1 SUR -0.7100
237 Ob9 15.2594 0.2987 0.6445 O 1 SUR -0.7100
238 Oba 15.2594 0.2987 6.0497 O 1 SUR -0.7100
239 A35 19.0193 -6.0678 1.8017 Si 1 SUR 1.7750
240 A36 17.0191 -2.6034 3.6035 Si 1 SUR 1.7750
241 Obb 19.2737 -3.6113 0.0000 O 1 SUR -0.7100
242 A37 19.2737 -3.6113 5.4052 Si 1 SUR 1.7750
243 Obc 18.7789 -4.6143 1.1573 O 1 SUR -0.7100
244 Obd 19.0044 -3.7653 7.3446 O 1 SUR -0.4340
245 Obe 20.1353 -5.9948 2.9590 O 1 SUR -0.7100
246 Obf 20.6527 -4.1299 4.7607 O 1 SUR -0.7100
247 Oc0 18.1577 -3.5383 4.2479 O 1 SUR -0.7100
248 Oc1 17.6403 -1.6734 2.4462 O 1 SUR -0.7100
249 Oc2 19.5141 -2.1578 0.6445 O 1 SUR -0.7100
250 Oc3 19.5141 -2.1578 6.0497 O 1 SUR -0.7100
251 A38 23.2741 -8.5243 1.8017 Si 1 SUR 1.7750
252 A39 21.2739 -5.0599 3.6035 Si 1 SUR 1.7750
253 Oc4 23.5285 -6.0678 0.0000 O 1 SUR -0.7100
254 A3a 23.5285 -6.0678 5.4052 Si 1 SUR 1.7750
255 Oc5 23.0337 -7.0708 1.1573 O 1 SUR -0.7100
256 Oc6 23.2599 -6.2136 7.3466 O 1 SUR -0.4340
257 Oc7 24.3901 -8.4513 2.9590 O 1 SUR -0.7100
258 Oc8 24.9075 -6.5864 4.7607 O 1 SUR -0.7100
259 Oc9 22.4125 -5.9948 4.2479 O 1 SUR -0.7100
260 Oca 21.8951 -4.1299 2.4462 O 1 SUR -0.7100
261 Ocb 23.7689 -4.6143 0.6445 O 1 SUR -0.7100
262 Occ 23.7689 -4.6143 6.0497 O 1 SUR -0.7100
263 A3b 27.5289 -10.9808 1.8017 Si 1 SUR 1.7750
264 A3c 25.5287 -7.5164 3.6035 Si 1 SUR 1.7750
265 Ocd 27.7833 -8.5243 0.0000 O 1 SUR -0.7100
266 A3d 27.7833 -8.5243 5.4052 Si 1 SUR 1.7750
267 Oce 27.2885 -9.5273 1.1573 O 1 SUR -0.7100
268 Ocf 27.5113 -8.6692 7.3463 O 1 SUR -0.4340
269 Od0 28.6449 -10.9078 2.9590 O 1 SUR -0.7100
270 Od1 29.1623 -9.0429 4.7607 O 1 SUR -0.7100
271 Od2 26.6673 -8.4513 4.2479 O 1 SUR -0.7100
272 Od3 26.1499 -6.5864 2.4462 O 1 SUR -0.7100
273 Od4 28.0237 -7.0708 0.6445 O 1 SUR -0.7100
274 Od5 28.0237 -7.0708 6.0497 O 1 SUR -0.7100
275 A3e 31.7837 -13.4373 1.8017 Si 1 SUR 1.7750
276 A3f 29.7835 -9.9729 3.6035 Si 1 SUR 1.7750
277 Od6 32.0381 -10.9808 0.0000 O 1 SUR -0.7100
278 A40 32.0381 -10.9808 5.4052 Si 1 SUR 1.7750
279 Od7 31.5433 -11.9838 1.1573 O 1 SUR -0.7100
280 Od8 31.7643 -11.1293 7.3446 O 1 SUR -0.4340
281 Od9 32.8997 -13.3643 2.9590 O 1 SUR -0.7100
282 Oda 33.4171 -11.4994 4.7607 O 1 SUR -0.7100
283 Odb 30.9221 -10.9078 4.2479 O 1 SUR -0.7100
284 Odc 30.4047 -9.0429 2.4462 O 1 SUR -0.7100
285 Odd 32.2785 -9.5273 0.6445 O 1 SUR -0.7100
286 Ode 32.2785 -9.5273 6.0497 O 1 SUR -0.7100
287 A41 36.0384 -15.8938 1.8017 Si 1 SUR 1.7750
288 A42 34.0383 -12.4294 3.6035 Si 1 SUR 1.7750
289 Odf 36.2929 -13.4373 0.0000 O 1 SUR -0.7100
290 A43 36.2929 -13.4373 5.4052 Si 1 SUR 1.7750
291 Oe0 35.7980 -14.4403 1.1573 O 1 SUR -0.7100
292 Oe1 36.0163 -13.5814 7.3456 O 1 SUR -0.4340
293 Oe2 37.1545 -15.8208 2.9590 O 1 SUR -0.7100
294 Oe3 37.6718 -13.9559 4.7607 O 1 SUR -0.7100
295 Oe4 35.1768 -13.3643 4.2479 O 1 SUR -0.7100
296 Oe5 34.6595 -11.4994 2.4462 O 1 SUR -0.7100
297 Oe6 36.5333 -11.9838 0.6445 O 1 SUR -0.7100
298 Oe7 36.5333 -11.9838 6.0497 O 1 SUR -0.7100
299 A44 38.2930 -14.8859 3.6035 Si 1 SUR 1.7750
300 Oe8 40.5477 -15.8938 0.0000 O 1 SUR -0.7100
301 A45 40.5477 -15.8938 5.4052 Si 1 SUR 1.7750
302 Oe9 40.0528 -16.8968 1.1573 O 1 SUR -0.7100
303 Oea 40.3000 -16.0382 7.3510 O 1 SUR -0.4340
304 Oeb 39.4316 -15.8208 4.2479 O 1 SUR -0.7100
305 Oec 38.9142 -13.9559 2.4462 O 1 SUR -0.7100
306 Oed 40.7881 -14.4403 0.6445 O 1 SUR -0.7100
307 Oee 40.7881 -14.4403 6.0497 O 1 SUR -0.7100
308 Oef 41.4092 -13.3643 2.9590 O 1 SUR -0.7100
309 Of0 41.9266 -11.4994 4.7607 O 1 SUR -0.7100
310 A46 2.0002 8.6712 1.8017 Si 1 SUR 1.7750
311 A47 0.0000 12.1356 3.6035 Si 1 SUR 1.7750
312 Of1 2.2546 11.1277 0.0000 O 1 SUR -0.7100
313 A48 2.2546 11.1277 5.4052 Si 1 SUR 1.7750
314 Of2 1.7598 10.1247 1.1573 O 1 SUR -0.7100
315 Of3 1.9695 10.9607 7.3417 O 1 SUR -0.4340
316 Of4 3.1162 8.7442 2.9590 O 1 SUR -0.7100
317 Of5 3.6336 10.6091 4.7607 O 1 SUR -0.7100
318 Of6 1.1386 11.2007 4.2479 O 1 SUR -0.7100
319 Of7 0.6212 13.0656 2.4462 O 1 SUR -0.7100
320 Of8 2.4950 12.5812 0.6445 O 1 SUR -0.7100
321 Of9 2.4950 12.5812 6.0497 O 1 SUR -0.7100
322 A49 6.2550 6.2147 1.8017 Si 1 SUR 1.7750
323 A4a 4.2548 9.6791 3.6035 Si 1 SUR 1.7750
324 Ofa 6.5094 8.6712 0.0000 O 1 SUR -0.7100
325 A4b 6.5094 8.6712 5.4052 Si 1 SUR 1.7750
326 Ofb 6.0146 7.6682 1.1573 O 1 SUR -0.7100
327 Ofc 6.2443 8.5190 7.3468 O 1 SUR -0.4340
328 Ofd 7.3710 6.2877 2.9590 O 1 SUR -0.7100
329 Ofe 7.8884 8.1526 4.7607 O 1 SUR -0.7100
330 Off 5.3934 8.7442 4.2479 O 1 SUR -0.7100
331 O100 4.8760 10.6091 2.4462 O 1 SUR -0.7100
332 O101 6.7498 10.1247 0.6445 O 1 SUR -0.7100
333 O102 6.7498 10.1247 6.0497 O 1 SUR -0.7100
334 A4c 10.5097 3.7582 1.8017 Si 1 SUR 1.7750
335 A4d 8.5096 7.2226 3.6035 Si 1 SUR 1.7750
336 O103 10.7642 6.2147 0.0000 O 1 SUR -0.7100
337 A4e 10.7642 6.2147 5.4052 Si 1 SUR 1.7750
338 O104 10.2693 5.2117 1.1573 O 1 SUR -0.7100
339 O105 10.4878 6.0682 7.3444 O 1 SUR -0.4340
340 O106 11.6258 3.8312 2.9590 O 1 SUR -0.7100
341 O107 12.1432 5.6961 4.7607 O 1 SUR -0.7100
342 O108 9.6481 6.2877 4.2479 O 1 SUR -0.7100
343 O109 9.1308 8.1526 2.4462 O 1 SUR -0.7100
344 O10a 11.0046 7.6682 0.6445 O 1 SUR -0.7100
345 O10b 11.0046 7.6682 6.0497 O 1 SUR -0.7100
346 A4f 14.7645 1.3017 1.8017 Si 1 SUR 1.7750
347 A50 12.7643 4.7661 3.6035 Si 1 SUR 1.7750
348 O10c 15.0190 3.7582 0.0000 O 1 SUR -0.7100
349 A51 15.0190 3.7582 5.4052 Si 1 SUR 1.7750
350 O10d 14.5241 2.7552 1.1573 O 1 SUR -0.7100
351 O10e 14.7537 3.6057 7.3456 O 1 SUR -0.4340
352 O10f 15.8806 1.3747 2.9590 O 1 SUR -0.7100
353 O110 16.3979 3.2396 4.7607 O 1 SUR -0.7100
354 O111 13.9029 3.8312 4.2479 O 1 SUR -0.7100
355 O112 13.3855 5.6961 2.4462 O 1 SUR -0.7100
356 O113 15.2594 5.2117 0.6445 O 1 SUR -0.7100
357 O114 15.2594 5.2117 6.0497 O 1 SUR -0.7100
358 A52 19.0193 -1.1548 1.8017 Si 1 SUR 1.7750
359 A53 17.0191 2.3096 3.6035 Si 1 SUR 1.7750
360 O115 19.2737 1.3017 0.0000 O 1 SUR -0.7100
361 A54 19.2737 1.3017 5.4052 Si 1 SUR 1.7750
362 O116 18.7789 0.2987 1.1573 O 1 SUR -0.7100
363 O117 19.0090 1.1558 7.3472 O 1 SUR -0.4340
364 O118 20.1353 -1.0818 2.9590 O 1 SUR -0.7100
365 O119 20.6527 0.7831 4.7607 O 1 SUR -0.7100
366 O11a 18.1577 1.3747 4.2479 O 1 SUR -0.7100
367 O11b 17.6403 3.2396 2.4462 O 1 SUR -0.7100
368 O11c 19.5141 2.7552 0.6445 O 1 SUR -0.7100
369 O11d 19.5141 2.7552 6.0497 O 1 SUR -0.7100
370 A55 23.2741 -3.6113 1.8017 Si 1 SUR 1.7750
371 A56 21.2739 -0.1469 3.6035 Si 1 SUR 1.7750
372 O11e 23.5285 -1.1548 0.0000 O 1 SUR -0.7100
373 A57 23.5285 -1.1548 5.4052 Si 1 SUR 1.7750
374 O11f 23.0337 -2.1578 1.1573 O 1 SUR -0.7100
375 O120 23.2553 -1.3002 7.3458 O 1 SUR -0.4340
376 O121 24.3901 -3.5383 2.9590 O 1 SUR -0.7100
377 O122 24.9075 -1.6734 4.7607 O 1 SUR -0.7100
378 O123 22.4125 -1.0818 4.2479 O 1 SUR -0.7100
379 O124 21.8951 0.7831 2.4462 O 1 SUR -0.7100
380 O125 23.7689 0.2987 0.6445 O 1 SUR -0.7100
381 O126 23.7689 0.2987 6.0497 O 1 SUR -0.7100
382 A58 27.5289 -6.0678 1.8017 Si 1 SUR 1.7750
383 A59 25.5287 -2.6034 3.6035 Si 1 SUR 1.7750
384 O127 27.7833 -3.6113 0.0000 O 1 SUR -0.7100
385 A5a 27.7833 -3.6113 5.4052 Si 1 SUR 1.7750
386 O128 27.2885 -4.6143 1.1573 O 1 SUR -0.7100
387 O129 27.5107 -3.7678 7.3454 O 1 SUR -0.4340
388 O12a 28.6449 -5.9948 2.9590 O 1 SUR -0.7100
389 O12b 29.1623 -4.1299 4.7607 O 1 SUR -0.7100
390 O12c 26.6673 -3.5383 4.2479 O 1 SUR -0.7100
391 O12d 26.1499 -1.6734 2.4462 O 1 SUR -0.7100
392 O12e 28.0237 -2.1578 0.6445 O 1 SUR -0.7100
393 O12f 28.0237 -2.1578 6.0497 O 1 SUR -0.7100
394 A5b 31.7837 -8.5243 1.8017 Si 1 SUR 1.7750
395 A5c 29.7835 -5.0599 3.6035 Si 1 SUR 1.7750
396 O130 32.0381 -6.0678 0.0000 O 1 SUR -0.7100
397 A5d 32.0381 -6.0678 5.4052 Si 1 SUR 1.7750
398 O131 31.5433 -7.0708 1.1573 O 1 SUR -0.7100
399 O132 31.7606 -6.2119 7.3453 O 1 SUR -0.4340
400 O133 32.8997 -8.4513 2.9590 O 1 SUR -0.7100
401 O134 33.4171 -6.5864 4.7607 O 1 SUR -0.7100
402 O135 30.9221 -5.9948 4.2479 O 1 SUR -0.7100
403 O136 30.4047 -4.1299 2.4462 O 1 SUR -0.7100
404 O137 32.2785 -4.6143 0.6445 O 1 SUR -0.7100
405 O138 32.2785 -4.6143 6.0497 O 1 SUR -0.7100
406 A5e 36.0384 -10.9808 1.8017 Si 1 SUR 1.7750
407 A5f 34.0383 -7.5164 3.6035 Si 1 SUR 1.7750
408 O139 36.2929 -8.5243 0.0000 O 1 SUR -0.7100
409 A60 36.2929 -8.5243 5.4052 Si 1 SUR 1.7750
410 O13a 35.7980 -9.5273 1.1573 O 1 SUR -0.7100
411 O13b 36.0229 -8.6745 7.3451 O 1 SUR -0.4340
412 O13c 37.1545 -10.9078 2.9590 O 1 SUR -0.7100
413 O13d 37.6718 -9.0429 4.7607 O 1 SUR -0.7100
414 O13e 35.1768 -8.4513 4.2479 O 1 SUR -0.7100
415 O13f 34.6595 -6.5864 2.4462 O 1 SUR -0.7100
416 O140 36.5333 -7.0708 0.6445 O 1 SUR -0.7100
417 O141 36.5333 -7.0708 6.0497 O 1 SUR -0.7100
418 A61 40.2932 -13.4373 1.8017 Si 1 SUR 1.7750
419 A62 38.2930 -9.9729 3.6035 Si 1 SUR 1.7750
420 O142 40.5477 -10.9808 0.0000 O 1 SUR -0.7100
421 A63 40.5477 -10.9808 5.4052 Si 1 SUR 1.7750
422 O143 40.0528 -11.9838 1.1573 O 1 SUR -0.7100
423 O144 40.3078 -11.1348 7.3521 O 1 SUR -0.4340
424 O145 39.4316 -10.9078 4.2479 O 1 SUR -0.7100
425 O146 38.9142 -9.0429 2.4462 O 1 SUR -0.7100
426 O147 40.7881 -9.5273 0.6445 O 1 SUR -0.7100
427 O148 40.7881 -9.5273 6.0497 O 1 SUR -0.7100
428 O149 41.4092 -8.4513 2.9590 O 1 SUR -0.7100
429 O14a 41.9266 -6.5864 4.7607 O 1 SUR -0.7100
430 A64 2.0002 13.5842 1.8017 Si 1 SUR 1.7750
431 A65 0.0000 17.0486 3.6035 Si 1 SUR 1.7750
432 O14b 2.2546 16.0407 0.0000 O 1 SUR -0.7100
433 A66 2.2546 16.0407 5.4052 Si 1 SUR 1.7750
434 O14c 1.7598 15.0377 1.1573 O 1 SUR -0.7100
435 O14d 1.9798 15.8740 7.3421 O 1 SUR -0.4340
436 O14e 3.1162 13.6572 2.9590 O 1 SUR -0.7100
437 O14f 3.6336 15.5221 4.7607 O 1 SUR -0.7100
438 O150 1.1386 16.1137 4.2479 O 1 SUR -0.7100
439 O151 0.6212 17.9786 2.4462 O 1 SUR -0.7100
440 O152 2.4950 17.4942 0.6445 O 1 SUR -0.7100
441 O153 2.4950 17.4942 6.0497 O 1 SUR -0.7100
442 A67 6.2550 11.1277 1.8017 Si 1 SUR 1.7750
443 A68 4.2548 14.5921 3.6035 Si 1 SUR 1.7750
444 O154 6.5094 13.5842 0.0000 O 1 SUR -0.7100
445 A69 6.5094 13.5842 5.4052 Si 1 SUR 1.7750
446 O155 6.0146 12.5812 1.1573 O 1 SUR -0.7100
447 O156 6.2326 13.4392 7.3450 O 1 SUR -0.4340
448 O157 7.3710 11.2007 2.9590 O 1 SUR -0.7100
449 O158 7.8884 13.0656 4.7607 O 1 SUR -0.7100
450 O159 5.3934 13.6572 4.2479 O 1 SUR -0.7100
451 O15a 4.8760 15.5221 2.4462 O 1 SUR -0.7100
452 O15b 6.7498 15.0377 0.6445 O 1 SUR -0.7100
453 O15c 6.7498 15.0377 6.0497 O 1 SUR -0.7100
454 A6a 10.5097 8.6712 1.8017 Si 1 SUR 1.7750
455 A6b 8.5096 12.1356 3.6035 Si 1 SUR 1.7750
456 O15d 10.7642 11.1277 0.0000 O 1 SUR -0.7100
457 A6c 10.7642 11.1277 5.4052 Si 1 SUR 1.7750
458 O15e 10.2693 10.1247 1.1573 O 1 SUR -0.7100
459 O15f 10.4870 10.9774 7.3455 O 1 SUR -0.4340
460 O160 11.6258 8.7442 2.9590 O 1 SUR -0.7100
461 O161 12.1432 10.6091 4.7607 O 1 SUR -0.7100
462 O162 9.6481 11.2007 4.2479 O 1 SUR -0.7100
463 O163 9.1308 13.0656 2.4462 O 1 SUR -0.7100
464 O164 11.0046 12.5812 0.6445 O 1 SUR -0.7100
465 O165 11.0046 12.5812 6.0497 O 1 SUR -0.7100
466 A6d 14.7645 6.2147 1.8017 Si 1 SUR 1.7750
467 A6e 12.7643 9.6791 3.6035 Si 1 SUR 1.7750
468 O166 15.0190 8.6712 0.0000 O 1 SUR -0.7100
469 A6f 15.0190 8.6712 5.4052 Si 1 SUR 1.7750
470 O167 14.5241 7.6682 1.1573 O 1 SUR -0.7100
471 O168 14.7465 8.5206 7.3451 O 1 SUR -0.4340
472 O169 15.8806 6.2877 2.9590 O 1 SUR -0.7100
473 O16a 16.3979 8.1526 4.7607 O 1 SUR -0.7100
474 O16b 13.9029 8.7442 4.2479 O 1 SUR -0.7100
475 O16c 13.3855 10.6091 2.4462 O 1 SUR -0.7100
476 O16d 15.2594 10.1247 0.6445 O 1 SUR -0.7100
477 O16e 15.2594 10.1247 6.0497 O 1 SUR -0.7100
478 A70 19.0193 3.7582 1.8017 Si 1 SUR 1.7750
479 A71 17.0191 7.2226 3.6035 Si 1 SUR 1.7750
480 O16f 19.2737 6.2147 0.0000 O 1 SUR -0.7100
481 A72 19.2737 6.2147 5.4052 Si 1 SUR 1.7750
482 O170 18.7789 5.2117 1.1573 O 1 SUR -0.7100
483 O171 18.9971 6.0603 7.3440 O 1 SUR -0.4340
484 O172 20.1353 3.8312 2.9590 O 1 SUR -0.7100
485 O173 20.6527 5.6961 4.7607 O 1 SUR -0.7100
486 O174 18.1577 6.2877 4.2479 O 1 SUR -0.7100
487 O175 17.6403 8.1526 2.4462 O 1 SUR -0.7100
488 O176 19.5141 7.6682 0.6445 O 1 SUR -0.7100
489 O177 19.5141 7.6682 6.0497 O 1 SUR -0.7100
490 A73 23.2741 1.3017 1.8017 Si 1 SUR 1.7750
491 A74 21.2739 4.7661 3.6035 Si 1 SUR 1.7750
492 O178 23.5285 3.7582 0.0000 O 1 SUR -0.7100
493 A75 23.5285 3.7582 5.4052 Si 1 SUR 1.7750
494 O179 23.0337 2.7552 1.1573 O 1 SUR -0.7100
495 O17a 23.2621 3.6162 7.3469 O 1 SUR -0.4340
496 O17b 24.3901 1.3747 2.9590 O 1 SUR -0.7100
497 O17c 24.9075 3.2396 4.7607 O 1 SUR -0.7100
498 O17d 22.4125 3.8312 4.2479 O 1 SUR -0.7100
499 O17e 21.8951 5.6961 2.4462 O 1 SUR -0.7100
500 O17f 23.7689 5.2117 0.6445 O 1 SUR -0.7100
501 O180 23.7689 5.2117 6.0497 O 1 SUR -0.7100
502 A76 27.5289 -1.1548 1.8017 Si 1 SUR 1.7750
503 A77 25.5287 2.3096 3.6035 Si 1 SUR 1.7750
504 O181 27.7833 1.3017 0.0000 O 1 SUR -0.7100
505 A78 27.7833 1.3017 5.4052 Si 1 SUR 1.7750
506 O182 27.2885 0.2987 1.1573 O 1 SUR -0.7100
507 O183 27.5189 1.1603 7.3473 O 1 SUR -0.4340
508 O184 28.6449 -1.0818 2.9590 O 1 SUR -0.7100
509 O185 29.1623 0.7831 4.7607 O 1 SUR -0.7100
510 O186 26.6673 1.3747 4.2479 O 1 SUR -0.7100
511 O187 26.1499 3.2396 2.4462 O 1 SUR -0.7100
512 O188 28.0237 2.7552 0.6445 O 1 SUR -0.7100
513 O189 28.0237 2.7552 6.0497 O 1 SUR -0.7100
514 A79 31.7837 -3.6113 1.8017 Si 1 SUR 1.7750
515 A7a 29.7835 -0.1469 3.6035 Si 1 SUR 1.7750
516 O18a 32.0381 -1.1548 0.0000 O 1 SUR -0.7100
517 A7b 32.0381 -1.1548 5.4052 Si 1 SUR 1.7750
518 O18b 31.5433 -2.1578 1.1573 O 1 SUR -0.7100
519 O18c 31.7656 -1.3091 7.3445 O 1 SUR -0.4340
520 O18d 32.8997 -3.5383 2.9590 O 1 SUR -0.7100
521 O18e 33.4171 -1.6734 4.7607 O 1 SUR -0.7100
522 O18f 30.9221 -1.0818 4.2479 O 1 SUR -0.7100
523 O190 30.4047 0.7831 2.4462 O 1 SUR -0.7100
524 O191 32.2785 0.2987 0.6445 O 1 SUR -0.7100
525 O192 32.2785 0.2987 6.0497 O 1 SUR -0.7100
526 A7c 36.0384 -6.0678 1.8017 Si 1 SUR 1.7750
527 A7d 34.0383 -2.6034 3.6035 Si 1 SUR 1.7750
528 O193 36.2929 -3.6113 0.0000 O 1 SUR -0.7100
529 A7e 36.2929 -3.6113 5.4052 Si 1 SUR 1.7750
530 O194 35.7980 -4.6143 1.1573 O 1 SUR -0.7100
531 O195 36.0159 -3.7556 7.3457 O 1 SUR -0.4340
532 O196 37.1545 -5.9948 2.9590 O 1 SUR -0.7100
533 O197 37.6718 -4.1299 4.7607 O 1 SUR -0.7100
534 O198 35.1768 -3.5383 4.2479 O 1 SUR -0.7100
535 O199 34.6595 -1.6734 2.4462 O 1 SUR -0.7100
536 O19a 36.5333 -2.1578 0.6445 O 1 SUR -0.7100
537 O19b 36.5333 -2.1578 6.0497 O 1 SUR -0.7100
538 A7f 40.2932 -8.5243 1.8017 Si 1 SUR 1.7750
539 A80 38.2930 -5.0599 3.6035 Si 1 SUR 1.7750
540 O19c 40.5477 -6.0678 0.0000 O 1 SUR -0.7100
541 A81 40.5477 -6.0678 5.4052 Si 1 SUR 1.7750
542 O19d 40.0528 -7.0708 1.1573 O 1 SUR -0.7100
543 O19e 40.3069 -6.2285 7.3503 O 1 SUR -0.4340
544 O19f 39.4316 -5.9948 4.2479 O 1 SUR -0.7100
545 O1a0 38.9142 -4.1299 2.4462 O 1 SUR -0.7100
546 O1a1 40.7881 -4.6143 0.6445 O 1 SUR -0.7100
547 O1a2 40.7881 -4.6143 6.0497 O 1 SUR -0.7100
548 O1a3 41.4092 -3.5383 2.9590 O 1 SUR -0.7100
549 O1a4 41.9266 -1.6734 4.7607 O 1 SUR -0.7100
550 A82 2.0002 18.4972 1.8017 Si 1 SUR 1.7750
551 A83 0.0000 21.9616 3.6035 Si 1 SUR 1.7750
552 O1a5 2.2546 20.9537 0.0000 O 1 SUR -0.7100
553 A84 2.2546 20.9537 5.4052 Si 1 SUR 1.7750
554 O1a6 1.7598 19.9507 1.1573 O 1 SUR -0.7100
555 O1a7 1.9705 20.7907 7.3410 O 1 SUR -0.4340
556 O1a8 3.1162 18.5702 2.9590 O 1 SUR -0.7100
557 O1a9 3.6336 20.4351 4.7607 O 1 SUR -0.7100
558 O1aa 1.1386 21.0267 4.2479 O 1 SUR -0.7100
559 O1ab 0.6212 22.8916 2.4462 O 1 SUR -0.7100
560 O1ac 2.4950 22.4072 0.6445 O 1 SUR -0.7100
561 O1ad 2.4950 22.4072 6.0497 O 1 SUR -0.7100
562 A85 6.2550 16.0407 1.8017 Si 1 SUR 1.7750
563 A86 4.2548 19.5051 3.6035 Si 1 SUR 1.7750
564 O1ae 6.5094 18.4972 0.0000 O 1 SUR -0.7100
565 A87 6.5094 18.4972 5.4052 Si 1 SUR 1.7750
566 O1af 6.0146 17.4942 1.1573 O 1 SUR -0.7100
567 O1b0 6.2426 18.3451 7.3457 O 1 SUR -0.4340
568 O1b1 7.3710 16.1137 2.9590 O 1 SUR -0.7100
569 O1b2 7.8884 17.9786 4.7607 O 1 SUR -0.7100
570 O1b3 5.3934 18.5702 4.2479 O 1 SUR -0.7100
571 O1b4 4.8760 20.4351 2.4462 O 1 SUR -0.7100
572 O1b5 6.7498 19.9507 0.6445 O 1 SUR -0.7100
573 O1b6 6.7498 19.9507 6.0497 O 1 SUR -0.7100
574 A88 10.5097 13.5842 1.8017 Si 1 SUR 1.7750
575 A89 8.5096 17.0486 3.6035 Si 1 SUR 1.7750
576 O1b7 10.7642 16.0407 0.0000 O 1 SUR -0.7100
577 A8a 10.7642 16.0407 5.4052 Si 1 SUR 1.7750
578 O1b8 10.2693 15.0377 1.1573 O 1 SUR -0.7100
579 O1b9 10.4954 15.8996 7.3457 O 1 SUR -0.4340
580 O1ba 11.6258 13.6572 2.9590 O 1 SUR -0.7100
581 O1bb 12.1432 15.5221 4.7607 O 1 SUR -0.7100
582 O1bc 9.6481 16.1137 4.2479 O 1 SUR -0.7100
583 O1bd 9.1308 17.9786 2.4462 O 1 SUR -0.7100
584 O1be 11.0046 17.4942 0.6445 O 1 SUR -0.7100
585 O1bf 11.0046 17.4942 6.0497 O 1 SUR -0.7100
586 A8b 14.7645 11.1277 1.8017 Si 1 SUR 1.7750
587 A8c 12.7643 14.5921 3.6035 Si 1 SUR 1.7750
588 O1c0 15.0190 13.5842 0.0000 O 1 SUR -0.7100
589 A8d 15.0190 13.5842 5.4052 Si 1 SUR 1.7750
590 O1c1 14.5241 12.5812 1.1573 O 1 SUR -0.7100
591 O1c2 14.7446 13.4375 7.3453 O 1 SUR -0.4340
592 O1c3 15.8806 11.2007 2.9590 O 1 SUR -0.7100
593 O1c4 16.3979 13.0656 4.7607 O 1 SUR -0.7100
594 O1c5 13.9029 13.6572 4.2479 O 1 SUR -0.7100
595 O1c6 13.3855 15.5221 2.4462 O 1 SUR -0.7100
596 O1c7 15.2594 15.0377 0.6445 O 1 SUR -0.7100
597 O1c8 15.2594 15.0377 6.0497 O 1 SUR -0.7100
598 A8e 19.0193 8.6712 1.8017 Si 1 SUR 1.7750
599 A8f 17.0191 12.1356 3.6035 Si 1 SUR 1.7750
600 O1c9 19.2737 11.1277 0.0000 O 1 SUR -0.7100
601 A90 19.2737 11.1277 5.4052 Si 1 SUR 1.7750
602 O1ca 18.7789 10.1247 1.1573 O 1 SUR -0.7100
603 O1cb 19.0006 10.9741 7.3446 O 1 SUR -0.4340
604 O1cc 20.1353 8.7442 2.9590 O 1 SUR -0.7100
605 O1cd 20.6527 10.6091 4.7607 O 1 SUR -0.7100
606 O1ce 18.1577 11.2007 4.2479 O 1 SUR -0.7100
607 O1cf 17.6403 13.0656 2.4462 O 1 SUR -0.7100
608 O1d0 19.5141 12.5812 0.6445 O 1 SUR -0.7100
609 O1d1 19.5141 12.5812 6.0497 O 1 SUR -0.7100
610 A91 23.2741 6.2147 1.8017 Si 1 SUR 1.7750
611 A92 21.2739 9.6791 3.6035 Si 1 SUR 1.7750
612 O1d2 23.5285 8.6712 0.0000 O 1 SUR -0.7100
613 A93 23.5285 8.6712 5.4052 Si 1 SUR 1.7750
614 O1d3 23.0337 7.6682 1.1573 O 1 SUR -0.7100
615 O1d4 23.2624 8.5238 7.3451 O 1 SUR -0.4340
616 O1d5 24.3901 6.2877 2.9590 O 1 SUR -0.7100
617 O1d6 24.9075 8.1526 4.7607 O 1 SUR -0.7100
618 O1d7 22.4125 8.7442 4.2479 O 1 SUR -0.7100
619 O1d8 21.8951 10.6091 2.4462 O 1 SUR -0.7100
620 O1d9 23.7689 10.1247 0.6445 O 1 SUR -0.7100
621 O1da 23.7689 10.1247 6.0497 O 1 SUR -0.7100
622 A94 27.5289 3.7582 1.8017 Si 1 SUR 1.7750
623 A95 25.5287 7.2226 3.6035 Si 1 SUR 1.7750
624 O1db 27.7833 6.2147 0.0000 O 1 SUR -0.7100
625 A96 27.7833 6.2147 5.4052 Si 1 SUR 1.7750
626 O1dc 27.2885 5.2117 1.1573 O 1 SUR -0.7100
627 O1dd 27.5087 6.0712 7.3461 O 1 SUR -0.4340
628 O1de 28.6449 3.8312 2.9590 O 1 SUR -0.7100
629 O1df 29.1623 5.6961 4.7607 O 1 SUR -0.7100
630 O1e0 26.6673 6.2877 4.2479 O 1 SUR -0.7100
631 O1e1 26.1499 8.1526 2.4462 O 1 SUR -0.7100
632 O1e2 28.0237 7.6682 0.6445 O 1 SUR -0.7100
633 O1e3 28.0237 7.6682 6.0497 O 1 SUR -0.7100
634 A97 31.7837 1.3017 1.8017 Si 1 SUR 1.7750
635 A98 29.7835 4.7661 3.6035 Si 1 SUR 1.7750
636 O1e4 32.0381 3.7582 0.0000 O 1 SUR -0.7100
637 A99 32.0381 3.7582 5.4052 Si 1 SUR 1.7750
638 O1e5 31.5433 2.7552 1.1573 O 1 SUR -0.7100
639 O1e6 31.7729 3.6118 7.3464 O 1 SUR -0.4340
640 O1e7 32.8997 1.3747 2.9590 O 1 SUR -0.7100
641 O1e8 33.4171 3.2396 4.7607 O 1 SUR -0.7100
642 O1e9 30.9221 3.8312 4.2479 O 1 SUR -0.7100
643 O1ea 30.4047 5.6961 2.4462 O 1 SUR -0.7100
644 O1eb 32.2785 5.2117 0.6445 O 1 SUR -0.7100
645 O1ec 32.2785 5.2117 6.0497 O 1 SUR -0.7100
646 A9a 36.0384 -1.1548 1.8017 Si 1 SUR 1.7750
647 A9b 34.0383 2.3096 3.6035 Si 1 SUR 1.7750
648 O1ed 36.2929 1.3017 0.0000 O 1 SUR -0.7100
649 A9c 36.2929 1.3017 5.4052 Si 1 SUR 1.7750
650 O1ee 35.7980 0.2987 1.1573 O 1 SUR -0.7100
651 O1ef 36.0174 1.1554 7.3454 O 1 SUR -0.4340
652 O1f0 37.1545 -1.0818 2.9590 O 1 SUR -0.7100
653 O1f1 37.6718 0.7831 4.7607 O 1 SUR -0.7100
654 O1f2 35.1768 1.3747 4.2479 O 1 SUR -0.7100
655 O1f3 34.6595 3.2396 2.4462 O 1 SUR -0.7100
656 O1f4 36.5333 2.7552 0.6445 O 1 SUR -0.7100
657 O1f5 36.5333 2.7552 6.0497 O 1 SUR -0.7100
658 A9d 40.2932 -3.6113 1.8017 Si 1 SUR 1.7750
659 A9e 38.2930 -0.1469 3.6035 Si 1 SUR 1.7750
660 O1f6 40.5477 -1.1548 0.0000 O 1 SUR -0.7100
661 A9f 40.5477 -1.1548 5.4052 Si 1 SUR 1.7750
662 O1f7 40.0528 -2.1578 1.1573 O 1 SUR -0.7100
663 O1f8 40.3105 -1.3132 7.3512 O 1 SUR -0.4340
664 O1f9 39.4316 -1.0818 4.2479 O 1 SUR -0.7100
665 O1fa 38.9142 0.7831 2.4462 O 1 SUR -0.7100
666 O1fb 40.7881 0.2987 0.6445 O 1 SUR -0.7100
667 O1fc 40.7881 0.2987 6.0497 O 1 SUR -0.7100
668 O1fd 41.4092 1.3747 2.9590 O 1 SUR -0.7100
669 O1fe 41.9266 3.2396 4.7607 O 1 SUR -0.7100
670 Aa0 2.0002 23.4102 1.8017 Si 1 SUR 1.7750
671 Aa1 0.0000 26.8746 3.6035 Si 1 SUR 1.7750
672 O1ff 2.2546 25.8667 0.0000 O 1 SUR -0.7100
673 Aa2 2.2546 25.8667 5.4052 Si 1 SUR 1.7750
674 O200 1.7598 24.8637 1.1573 O 1 SUR -0.7100
675 O201 1.9779 25.6953 7.3415 O 1 SUR -0.4340
676 O202 3.1162 23.4832 2.9590 O 1 SUR -0.7100
677 O203 3.6336 25.3481 4.7607 O 1 SUR -0.7100
678 O204 1.1386 25.9397 4.2479 O 1 SUR -0.7100
679 O205 0.6212 27.8046 2.4462 O 1 SUR -0.7100
680 O206 2.4950 27.3202 0.6445 O 1 SUR -0.7100
681 O207 2.4950 27.3202 6.0497 O 1 SUR -0.7100
682 Aa3 6.2550 20.9537 1.8017 Si 1 SUR 1.7750
683 Aa4 4.2548 24.4181 3.6035 Si 1 SUR 1.7750
684 O208 6.5094 23.4102 0.0000 O 1 SUR -0.7100
685 Aa5 6.5094 23.4102 5.4052 Si 1 SUR 1.7750
686 O209 6.0146 22.4072 1.1573 O 1 SUR -0.7100
687 O20a 6.2438 23.2664 7.3473 O 1 SUR -0.4340
688 O20b 7.3710 21.0267 2.9590 O 1 SUR -0.7100
689 O20c 7.8884 22.8916 4.7607 O 1 SUR -0.7100
690 O20d 5.3934 23.4832 4.2479 O 1 SUR -0.7100
691 O20e 4.8760 25.3481 2.4462 O 1 SUR -0.7100
692 O20f 6.7498 24.8637 0.6445 O 1 SUR -0.7100
693 O210 6.7498 24.8637 6.0497 O 1 SUR -0.7100
694 Aa6 10.5097 18.4972 1.8017 Si 1 SUR 1.7750
695 Aa7 8.5096 21.9616 3.6035 Si 1 SUR 1.7750
696 O211 10.7642 20.9537 0.0000 O 1 SUR -0.7100
697 Aa8 10.7642 20.9537 5.4052 Si 1 SUR 1.7750
698 O212 10.2693 19.9507 1.1573 O 1 SUR -0.7100
699 O213 10.4965 20.8144 7.3465 O 1 SUR -0.4340
700 O214 11.6258 18.5702 2.9590 O 1 SUR -0.7100
701 O215 12.1432 20.4351 4.7607 O 1 SUR -0.7100
702 O216 9.6481 21.0267 4.2479 O 1 SUR -0.7100
703 O217 9.1308 22.8916 2.4462 O 1 SUR -0.7100
704 O218 11.0046 22.4072 0.6445 O 1 SUR -0.7100
705 O219 11.0046 22.4072 6.0497 O 1 SUR -0.7100
706 Aa9 14.7645 16.0407 1.8017 Si 1 SUR 1.7750
707 Aaa 12.7643 19.5051 3.6035 Si 1 SUR 1.7750
708 O21a 15.0190 18.4972 0.0000 O 1 SUR -0.7100
709 Aab 15.0190 18.4972 5.4052 Si 1 SUR 1.7750
710 O21b 14.5241 17.4942 1.1573 O 1 SUR -0.7100
711 O21c 14.7507 18.3520 7.3462 O 1 SUR -0.4340
712 O21d 15.8806 16.1137 2.9590 O 1 SUR -0.7100
713 O21e 16.3979 17.9786 4.7607 O 1 SUR -0.7100
714 O21f 13.9029 18.5702 4.2479 O 1 SUR -0.7100
715 O220 13.3855 20.4351 2.4462 O 1 SUR -0.7100
716 O221 15.2594 19.9507 0.6445 O 1 SUR -0.7100
717 O222 15.2594 19.9507 6.0497 O 1 SUR -0.7100
718 Aac 19.0193 13.5842 1.8017 Si 1 SUR 1.7750
719 Aad 17.0191 17.0486 3.6035 Si 1 SUR 1.7750
720 O223 19.2737 16.0407 0.0000 O 1 SUR -0.7100
721 Aae 19.2737 16.0407 5.4052 Si 1 SUR 1.7750
722 O224 18.7789 15.0377 1.1573 O 1 SUR -0.7100
723 O225 18.9937 15.8920 7.3449 O 1 SUR -0.4340
724 O226 20.1353 13.6572 2.9590 O 1 SUR -0.7100
725 O227 20.6527 15.5221 4.7607 O 1 SUR -0.7100
726 O228 18.1577 16.1137 4.2479 O 1 SUR -0.7100
727 O229 17.6403 17.9786 2.4462 O 1 SUR -0.7100
728 O22a 19.5141 17.4942 0.6445 O 1 SUR -0.7100
729 O22b 19.5141 17.4942 6.0497 O 1 SUR -0.7100
730 Aaf 23.2741 11.1277 1.8017 Si 1 SUR 1.7750
731 Ab0 21.2739 14.5921 3.6035 Si 1 SUR 1.7750
732 O22c 23.5285 13.5842 0.0000 O 1 SUR -0.7100
733 Ab1 23.5285 13.5842 5.4052 Si 1 SUR 1.7750
734 O22d 23.0337 12.5812 1.1573 O 1 SUR -0.7100
735 O22e 23.2452 13.4401 7.3430 O 1 SUR -0.4340
736 O22f 24.3901 11.2007 2.9590 O 1 SUR -0.7100
737 O230 24.9075 13.0656 4.7607 O 1 SUR -0.7100
738 O231 22.4125 13.6572 4.2479 O 1 SUR -0.7100
739 O232 21.8951 15.5221 2.4462 O 1 SUR -0.7100
740 O233 23.7689 15.0377 0.6445 O 1 SUR -0.7100
741 O234 23.7689 15.0377 6.0497 O 1 SUR -0.7100
742 Ab2 27.5289 8.6712 1.8017 Si 1 SUR 1.7750
743 Ab3 25.5287 12.1356 3.6035 Si 1 SUR 1.7750
744 O235 27.7833 11.1277 0.0000 O 1 SUR -0.7100
745 Ab4 27.7833 11.1277 5.4052 Si 1 SUR 1.7750
746 O236 27.2885 10.1247 1.1573 O 1 SUR -0.7100
747 O237 27.5072 10.9783 7.3450 O 1 SUR -0.4340
748 O238 28.6449 8.7442 2.9590 O 1 SUR -0.7100
749 O239 29.1623 10.6091 4.7607 O 1 SUR -0.7100
750 O23a 26.6673 11.2007 4.2479 O 1 SUR -0.7100
751 O23b 26.1499 13.0656 2.4462 O 1 SUR -0.7100
752 O23c 28.0237 12.5812 0.6445 O 1 SUR -0.7100
753 O23d 28.0237 12.5812 6.0497 O 1 SUR -0.7100
754 Ab5 31.7837 6.2147 1.8017 Si 1 SUR 1.7750
755 Ab6 29.7835 9.6791 3.6035 Si 1 SUR 1.7750
756 O23e 32.0381 8.6712 0.0000 O 1 SUR -0.7100
757 Ab7 32.0381 8.6712 5.4052 Si 1 SUR 1.7750
758 O23f 31.5433 7.6682 1.1573 O 1 SUR -0.7100
759 O240 31.7707 8.5329 7.3471 O 1 SUR -0.4340
760 O241 32.8997 6.2877 2.9590 O 1 SUR -0.7100
761 O242 33.4171 8.1526 4.7607 O 1 SUR -0.7100
762 O243 30.9221 8.7442 4.2479 O 1 SUR -0.7100
763 O244 30.4047 10.6091 2.4462 O 1 SUR -0.7100
764 O245 32.2785 10.1247 0.6445 O 1 SUR -0.7100
765 O246 32.2785 10.1247 6.0497 O 1 SUR -0.7100
766 Ab8 36.0384 3.7582 1.8017 Si 1 SUR 1.7750
767 Ab9 34.0383 7.2226 3.6035 Si 1 SUR 1.7750
768 O247 36.2929 6.2147 0.0000 O 1 SUR -0.7100
769 Aba 36.2929 6.2147 5.4052 Si 1 SUR 1.7750
770 O248 35.7980 5.2117 1.1573 O 1 SUR -0.7100
771 O249 36.0154 6.0700 7.3458 O 1 SUR -0.4340
772 O24a 37.1545 3.8312 2.9590 O 1 SUR -0.7100
773 O24b 37.6718 5.6961 4.7607 O 1 SUR -0.7100
774 O24c 35.1768 6.2877 4.2479 O 1 SUR -0.7100
775 O24d 34.6595 8.1526 2.4462 O 1 SUR -0.7100
776 O24e 36.5333 7.6682 0.6445 O 1 SUR -0.7100
777 O24f 36.5333 7.6682 6.0497 O 1 SUR -0.7100
778 Abb 40.2932 1.3017 1.8017 Si 1 SUR 1.7750
779 Abc 38.2930 4.7661 3.6035 Si 1 SUR 1.7750
780 O250 40.5477 3.7582 0.0000 O 1 SUR -0.7100
781 Abd 40.5477 3.7582 5.4052 Si 1 SUR 1.7750
782 O251 40.0528 2.7552 1.1573 O 1 SUR -0.7100
783 O252 40.3124 3.6144 7.3536 O 1 SUR -0.4340
784 O253 39.4316 3.8312 4.2479 O 1 SUR -0.7100
785 O254 38.9142 5.6961 2.4462 O 1 SUR -0.7100
786 O255 40.7881 5.2117 0.6445 O 1 SUR -0.7100
787 O256 40.7881 5.2117 6.0497 O 1 SUR -0.7100
788 O257 41.4092 6.2877 2.9590 O 1 SUR -0.7100
789 O258 41.9266 8.1526 4.7607 O 1 SUR -0.7100
790 Abe 2.0002 28.3232 1.8017 Si 1 SUR 1.7750
791 Abf 0.0000 31.7876 3.6035 Si 1 SUR 1.7750
792 O259 2.2546 30.7797 0.0000 O 1 SUR -0.7100
793 Ac0 2.2546 30.7797 5.4052 Si 1 SUR 1.7750
794 O25a 1.7598 29.7767 1.1573 O 1 SUR -0.7100
795 O25b 1.9744 30.6079 7.3417 O 1 SUR -0.4340
796 O25c 3.1162 28.3962 2.9590 O 1 SUR -0.7100
797 O25d 3.6336 30.2611 4.7607 O 1 SUR -0.7100
798 O25e 1.1386 30.8527 4.2479 O 1 SUR -0.7100
799 O25f 0.6212 32.7176 2.4462 O 1 SUR -0.7100
800 O260 2.4950 32.2332 0.6445 O 1 SUR -0.7100
801 O261 2.4950 32.2332 6.0497 O 1 SUR -0.7100
802 Ac1 6.2550 25.8667 1.8017 Si 1 SUR 1.7750
803 Ac2 4.2548 29.3311 3.6035 Si 1 SUR 1.7750
804 O262 6.5094 28.3232 0.0000 O 1 SUR -0.7100
805 Ac3 6.5094 28.3232 5.4052 Si 1 SUR 1.7750
806 O263 6.0146 27.3202 1.1573 O 1 SUR -0.7100
807 O264 6.2357 28.1788 7.3462 O 1 SUR -0.4340
808 O265 7.3710 25.9397 2.9590 O 1 SUR -0.7100
809 O266 7.8884 27.8046 4.7607 O 1 SUR -0.7100
810 O267 5.3934 28.3962 4.2479 O 1 SUR -0.7100
811 O268 4.8760 30.2611 2.4462 O 1 SUR -0.7100
812 O269 6.7498 29.7767 0.6445 O 1 SUR -0.7100
813 O26a 6.7498 29.7767 6.0497 O 1 SUR -0.7100
814 Ac4 10.5097 23.4102 1.8017 Si 1 SUR 1.7750
815 Ac5 8.5096 26.8746 3.6035 Si 1 SUR 1.7750
816 O26b 10.7642 25.8667 0.0000 O 1 SUR -0.7100
817 Ac6 10.7642 25.8667 5.4052 Si 1 SUR 1.7750
818 O26c 10.2693 24.8637 1.1573 O 1 SUR -0.7100
819 O26d 10.4882 25.7296 7.3467 O 1 SUR -0.4340
820 O26e 11.6258 23.4832 2.9590 O 1 SUR -0.7100
821 O26f 12.1432 25.3481 4.7607 O 1 SUR -0.7100
822 O270 9.6481 25.9397 4.2479 O 1 SUR -0.7100
823 O271 9.1308 27.8046 2.4462 O 1 SUR -0.7100
824 O272 11.0046 27.3202 0.6445 O 1 SUR -0.7100
825 O273 11.0046 27.3202 6.0497 O 1 SUR -0.7100
826 Ac7 14.7645 20.9537 1.8017 Si 1 SUR 1.7750
827 Ac8 12.7643 24.4181 3.6035 Si 1 SUR 1.7750
828 O274 15.0190 23.4102 0.0000 O 1 SUR -0.7100
829 Ac9 15.0190 23.4102 5.4052 Si 1 SUR 1.7750
830 O275 14.5241 22.4072 1.1573 O 1 SUR -0.7100
831 O276 14.7436 23.2553 7.3435 O 1 SUR -0.4340
832 O277 15.8806 21.0267 2.9590 O 1 SUR -0.7100
833 O278 16.3979 22.8916 4.7607 O 1 SUR -0.7100
834 O279 13.9029 23.4832 4.2479 O 1 SUR -0.7100
835 O27a 13.3855 25.3481 2.4462 O 1 SUR -0.7100
836 O27b 15.2594 24.8637 0.6445 O 1 SUR -0.7100
837 O27c 15.2594 24.8637 6.0497 O 1 SUR -0.7100
838 Aca 19.0193 18.4972 1.8017 Si 1 SUR 1.7750
839 Acb 17.0191 21.9616 3.6035 Si 1 SUR 1.7750
840 O27d 19.2737 20.9537 0.0000 O 1 SUR -0.7100
841 Acc 19.2737 20.9537 5.4052 Si 1 SUR 1.7750
842 O27e 18.7789 19.9507 1.1573 O 1 SUR -0.7100
843 O27f 18.9973 20.8083 7.3435 O 1 SUR -0.4340
844 O280 20.1353 18.5702 2.9590 O 1 SUR -0.7100
845 O281 20.6527 20.4351 4.7607 O 1 SUR -0.7100
846 O282 18.1577 21.0267 4.2479 O 1 SUR -0.7100
847 O283 17.6403 22.8916 2.4462 O 1 SUR -0.7100
848 O284 19.5141 22.4072 0.6445 O 1 SUR -0.7100
849 O285 19.5141 22.4072 6.0497 O 1 SUR -0.7100
850 Acd 23.2741 16.0407 1.8017 Si 1 SUR 1.7750
851 Ace 21.2739 19.5051 3.6035 Si 1 SUR 1.7750
852 O286 23.5285 18.4972 0.0000 O 1 SUR -0.7100
853 Acf 23.5285 18.4972 5.4052 Si 1 SUR 1.7750
854 O287 23.0337 17.4942 1.1573 O 1 SUR -0.7100
855 O288 23.2578 18.3439 7.3454 O 1 SUR -0.4340
856 O289 24.3901 16.1137 2.9590 O 1 SUR -0.7100
857 O28a 24.9075 17.9786 4.7607 O 1 SUR -0.7100
858 O28b 22.4125 18.5702 4.2479 O 1 SUR -0.7100
859 O28c 21.8951 20.4351 2.4462 O 1 SUR -0.7100
860 O28d 23.7689 19.9507 0.6445 O 1 SUR -0.7100
861 O28e 23.7689 19.9507 6.0497 O 1 SUR -0.7100
862 Ad0 27.5289 13.5842 1.8017 Si 1 SUR 1.7750
863 Ad1 25.5287 17.0486 3.6035 Si 1 SUR 1.7750
864 O28f 27.7833 16.0407 0.0000 O 1 SUR -0.7100
865 Ad2 27.7833 16.0407 5.4052 Si 1 SUR 1.7750
866 O290 27.2885 15.0377 1.1573 O 1 SUR -0.7100
867 O291 27.5038 15.8975 7.3450 O 1 SUR -0.4340
868 O292 28.6449 13.6572 2.9590 O 1 SUR -0.7100
869 O293 29.1623 15.5221 4.7607 O 1 SUR -0.7100
870 O294 26.6673 16.1137 4.2479 O 1 SUR -0.7100
871 O295 26.1499 17.9786 2.4462 O 1 SUR -0.7100
872 O296 28.0237 17.4942 0.6445 O 1 SUR -0.7100
873 O297 28.0237 17.4942 6.0497 O 1 SUR -0.7100
874 Ad3 31.7837 11.1277 1.8017 Si 1 SUR 1.7750
875 Ad4 29.7835 14.5921 3.6035 Si 1 SUR 1.7750
876 O298 32.0381 13.5842 0.0000 O 1 SUR -0.7100
877 Ad5 32.0381 13.5842 5.4052 Si 1 SUR 1.7750
878 O299 31.5433 12.5812 1.1573 O 1 SUR -0.7100
879 O29a 31.7722 13.4445 7.3476 O 1 SUR -0.4340
880 O29b 32.8997 11.2007 2.9590 O 1 SUR -0.7100
881 O29c 33.4171 13.0656 4.7607 O 1 SUR -0.7100
882 O29d 30.9221 13.6572 4.2479 O 1 SUR -0.7100
883 O29e 30.4047 15.5221 2.4462 O 1 SUR -0.7100
884 O29f 32.2785 15.0377 0.6445 O 1 SUR -0.7100
885 O2a0 32.2785 15.0377 6.0497 O 1 SUR -0.7100
886 Ad6 36.0384 8.6712 1.8017 Si 1 SUR 1.7750
887 Ad7 34.0383 12.1356 3.6035 Si 1 SUR 1.7750
888 O2a1 36.2929 11.1277 0.0000 O 1 SUR -0.7100
889 Ad8 36.2929 11.1277 5.4052 Si 1 SUR 1.7750
890 O2a2 35.7980 10.1247 1.1573 O 1 SUR -0.7100
891 O2a3 36.0110 10.9904 7.3456 O 1 SUR -0.4340
892 O2a4 37.1545 8.7442 2.9590 O 1 SUR -0.7100
893 O2a5 37.6718 10.6091 4.7607 O 1 SUR -0.7100
894 O2a6 35.1768 11.2007 4.2479 O 1 SUR -0.7100
895 O2a7 34.6595 13.0656 2.4462 O 1 SUR -0.7100
896 O2a8 36.5333 12.5812 0.6445 O 1 SUR -0.7100
897 O2a9 36.5333 12.5812 6.0497 O 1 SUR -0.7100
898 Ad9 40.2932 6.2147 1.8017 Si 1 SUR 1.7750
899 Ada 38.2930 9.6791 3.6035 Si 1 SUR 1.7750
900 O2aa 40.5477 8.6712 0.0000 O 1 SUR -0.7100
901 Adb 40.5477 8.6712 5.4052 Si 1 SUR 1.7750
902 O2ab 40.0528 7.6682 1.1573 O 1 SUR -0.7100
903 O2ac 40.3023 8.5276 7.3527 O 1 SUR -0.4340
904 O2ad 39.4316 8.7442 4.2479 O 1 SUR -0.7100
905 O2ae 38.9142 10.6091 2.4462 O 1 SUR -0.7100
906 O2af 40.7881 10.1247 0.6445 O 1 SUR -0.7100
907 O2b0 40.7881 10.1247 6.0497 O 1 SUR -0.7100
908 O2b1 41.4092 11.2007 2.9590 O 1 SUR -0.7100
909 O2b2 41.9266 13.0656 4.7607 O 1 SUR -0.7100
910 Adc 2.0002 33.2362 1.8017 Si 1 SUR 1.7750
911 Add 0.0000 36.7006 3.6035 Si 1 SUR 1.7750
912 O2b3 2.2546 35.6927 0.0000 O 1 SUR -0.7100
913 Ade 2.2546 35.6927 5.4052 Si 1 SUR 1.7750
914 O2b4 1.7598 34.6897 1.1573 O 1 SUR -0.7100
915 O2b5 1.9816 35.5221 7.3413 O 1 SUR -0.4340
916 O2b6 3.1162 33.3092 2.9590 O 1 SUR -0.7100
917 O2b7 3.6336 35.1741 4.7607 O 1 SUR -0.7100
918 O2b8 1.1386 35.7657 4.2479 O 1 SUR -0.7100
919 O2b9 0.6212 37.6306 2.4462 O 1 SUR -0.7100
920 O2ba 2.4950 37.1462 0.6445 O 1 SUR -0.7100
921 O2bb 2.4950 37.1462 6.0497 O 1 SUR -0.7100
922 Adf 6.2550 30.7797 1.8017 Si 1 SUR 1.7750
923 Ae0 4.2548 34.2441 3.6035 Si 1 SUR 1.7750
924 O2bc 6.5094 33.2362 0.0000 O 1 SUR -0.7100
925 Ae1 6.5094 33.2362 5.4052 Si 1 SUR 1.7750
926 O2bd 6.0146 32.2332 1.1573 O 1 SUR -0.7100
927 O2be 6.2322 33.0865 7.3454 O 1 SUR -0.4340
928 O2bf 7.3710 30.8527 2.9590 O 1 SUR -0.7100
929 O2c0 7.8884 32.7176 4.7607 O 1 SUR -0.7100
930 O2c1 5.3934 33.3092 4.2479 O 1 SUR -0.7100
931 O2c2 4.8760 35.1741 2.4462 O 1 SUR -0.7100
932 O2c3 6.7498 34.6897 0.6445 O 1 SUR -0.7100
933 O2c4 6.7498 34.6897 6.0497 O 1 SUR -0.7100
934 Ae2 10.5097 28.3232 1.8017 Si 1 SUR 1.7750
935 Ae3 8.5096 31.7876 3.6035 Si 1 SUR 1.7750
936 O2c5 10.7642 30.7797 0.0000 O 1 SUR -0.7100
937 Ae4 10.7642 30.7797 5.4052 Si 1 SUR 1.7750
938 O2c6 10.2693 29.7767 1.1573 O 1 SUR -0.7100
939 O2c7 10.4907 30.6342 7.3462 O 1 SUR -0.4340
940 O2c8 11.6258 28.3962 2.9590 O 1 SUR -0.7100
941 O2c9 12.1432 30.2611 4.7607 O 1 SUR -0.7100
942 O2ca 9.6481 30.8527 4.2479 O 1 SUR -0.7100
943 O2cb 9.1308 32.7176 2.4462 O 1 SUR -0.7100
944 O2cc 11.0046 32.2332 0.6445 O 1 SUR -0.7100
945 O2cd 11.0046 32.2332 6.0497 O 1 SUR -0.7100
946 Ae5 14.7645 25.8667 1.8017 Si 1 SUR 1.7750
947 Ae6 12.7643 29.3311 3.6035 Si 1 SUR 1.7750
948 O2ce 15.0190 28.3232 0.0000 O 1 SUR -0.7100
949 Ae7 15.0190 28.3232 5.4052 Si 1 SUR 1.7750
950 O2cf 14.5241 27.3202 1.1573 O 1 SUR -0.7100
951 O2d0 14.7530 28.1760 7.3456 O 1 SUR -0.4340
952 O2d1 15.8806 25.9397 2.9590 O 1 SUR -0.7100
953 O2d2 16.3979 27.8046 4.7607 O 1 SUR -0.7100
954 O2d3 13.9029 28.3962 4.2479 O 1 SUR -0.7100
955 O2d4 13.3855 30.2611 2.4462 O 1 SUR -0.7100
956 O2d5 15.2594 29.7767 0.6445 O 1 SUR -0.7100
957 O2d6 15.2594 29.7767 6.0497 O 1 SUR -0.7100
958 Ae8 19.0193 23.4102 1.8017 Si 1 SUR 1.7750
959 Ae9 17.0191 26.8746 3.6035 Si 1 SUR 1.7750
960 O2d7 19.2737 25.8667 0.0000 O 1 SUR -0.7100
961 Aea 19.2737 25.8667 5.4052 Si 1 SUR 1.7750
962 O2d8 18.7789 24.8637 1.1573 O 1 SUR -0.7100
963 O2d9 19.0014 25.7226 7.3457 O 1 SUR -0.4340
964 O2da 20.1353 23.4832 2.9590 O 1 SUR -0.7100
965 O2db 20.6527 25.3481 4.7607 O 1 SUR -0.7100
966 O2dc 18.1577 25.9397 4.2479 O 1 SUR -0.7100
967 O2dd 17.6403 27.8046 2.4462 O 1 SUR -0.7100
968 O2de 19.5141 27.3202 0.6445 O 1 SUR -0.7100
969 O2df 19.5141 27.3202 6.0497 O 1 SUR -0.7100
970 Aeb 23.2741 20.9537 1.8017 Si 1 SUR 1.7750
971 Aec 21.2739 24.4181 3.6035 Si 1 SUR 1.7750
972 O2e0 23.5285 23.4102 0.0000 O 1 SUR -0.7100
973 Aed 23.5285 23.4102 5.4052 Si 1 SUR 1.7750
974 O2e1 23.0337 22.4072 1.1573 O 1 SUR -0.7100
975 O2e2 23.2593 23.2696 7.3456 O 1 SUR -0.4340
976 O2e3 24.3901 21.0267 2.9590 O 1 SUR -0.7100
977 O2e4 24.9075 22.8916 4.7607 O 1 SUR -0.7100
978 O2e5 22.4125 23.4832 4.2479 O 1 SUR -0.7100
979 O2e6 21.8951 25.3481 2.4462 O 1 SUR -0.7100
980 O2e7 23.7689 24.8637 0.6445 O 1 SUR -0.7100
981 O2e8 23.7689 24.8637 6.0497 O 1 SUR -0.7100
982 Aee 27.5289 18.4972 1.8017 Si 1 SUR 1.7750
983 Aef 25.5287 21.9616 3.6035 Si 1 SUR 1.7750
984 O2e9 27.7833 20.9537 0.0000 O 1 SUR -0.7100
985 Af0 27.7833 20.9537 5.4052 Si 1 SUR 1.7750
986 O2ea 27.2885 19.9507 1.1573 O 1 SUR -0.7100
987 O2eb 27.5038 20.8072 7.3438 O 1 SUR -0.4340
988 O2ec 28.6449 18.5702 2.9590 O 1 SUR -0.7100
989 O2ed 29.1623 20.4351 4.7607 O 1 SUR -0.7100
990 O2ee 26.6673 21.0267 4.2479 O 1 SUR -0.7100
991 O2ef 26.1499 22.8916 2.4462 O 1 SUR -0.7100
992 O2f0 28.0237 22.4072 0.6445 O 1 SUR -0.7100
993 O2f1 28.0237 22.4072 6.0497 O 1 SUR -0.7100
994 Af1 31.7837 16.0407 1.8017 Si 1 SUR 1.7750
995 Af2 29.7835 19.5051 3.6035 Si 1 SUR 1.7750
996 O2f2 32.0381 18.4972 0.0000 O 1 SUR -0.7100
997 Af3 32.0381 18.4972 5.4052 Si 1 SUR 1.7750
998 O2f3 31.5433 17.4942 1.1573 O 1 SUR -0.7100
999 O2f4 31.7661 18.3471 7.3463 O 1 SUR -0.4340
1000 O2f5 32.8997 16.1137 2.9590 O 1 SUR -0.7100
1001 O2f6 33.4171 17.9786 4.7607 O 1 SUR -0.7100
1002 O2f7 30.9221 18.5702 4.2479 O 1 SUR -0.7100
1003 O2f8 30.4047 20.4351 2.4462 O 1 SUR -0.7100
1004 O2f9 32.2785 19.9507 0.6445 O 1 SUR -0.7100
1005 O2fa 32.2785 19.9507 6.0497 O 1 SUR -0.7100
1006 Af4 36.0384 13.5842 1.8017 Si 1 SUR 1.7750
1007 Af5 34.0383 17.0486 3.6035 Si 1 SUR 1.7750
1008 O2fb 36.2929 16.0407 0.0000 O 1 SUR -0.7100
1009 Af6 36.2929 16.0407 5.4052 Si 1 SUR 1.7750
1010 O2fc 35.7980 15.0377 1.1573 O 1 SUR -0.7100
1011 O2fd 36.0233 15.8919 7.3463 O 1 SUR -0.4340
1012 O2fe 37.1545 13.6572 2.9590 O 1 SUR -0.7100
1013 O2ff 37.6718 15.5221 4.7607 O 1 SUR -0.7100
1014 O300 35.1768 16.1137 4.2479 O 1 SUR -0.7100
1015 O301 34.6595 17.9786 2.4462 O 1 SUR -0.7100
1016 O302 36.5333 17.4942 0.6445 O 1 SUR -0.7100
1017 O303 36.5333 17.4942 6.0497 O 1 SUR -0.7100
1018 Af7 40.2932 11.1277 1.8017 Si 1 SUR 1.7750
1019 Af8 38.2930 14.5921 3.6035 Si 1 SUR 1.7750
1020 O304 40.5477 13.5842 0.0000 O 1 SUR -0.7100
1021 Af9 40.5477 13.5842 5.4052 Si 1 SUR 1.7750
1022 O305 40.0528 12.5812 1.1573 O 1 SUR -0.7100
1023 O306 40.3052 13.4282 7.3521 O 1 SUR -0.4340
1024 O307 39.4316 13.6572 4.2479 O 1 SUR -0.7100
1025 O308 38.9142 15.5221 2.4462 O 1 SUR -0.7100
1026 O309 40.7881 15.0377 0.6445 O 1 SUR -0.7100
1027 O30a 40.7881 15.0377 6.0497 O 1 SUR -0.7100
1028 O30b 41.4092 16.1137 2.9590 O 1 SUR -0.7100
1029 O30c 41.9266 17.9786 4.7607 O 1 SUR -0.7100
1030 Afa 2.0002 38.1492 1.8017 Si 1 SUR 1.7750
1031 Afb 2.2546 40.6057 5.4052 Si 1 SUR 1.7750
1032 O30d 1.7598 39.6027 1.1573 O 1 SUR -0.7100
1033 O30e 1.9789 40.4410 7.3428 O 1 SUR -0.4340
1034 O30f 3.1162 38.2222 2.9590 O 1 SUR -0.7100
1035 O310 3.6336 40.0871 4.7607 O 1 SUR -0.7100
1036 O311 1.1386 40.6787 4.2479 O 1 SUR -0.7100
1037 Afc 6.2550 35.6927 1.8017 Si 1 SUR 1.7750
1038 Afd 4.2548 39.1571 3.6035 Si 1 SUR 1.7750
1039 O312 6.5094 38.1492 0.0000 O 1 SUR -0.7100
1040 Afe 6.5094 38.1492 5.4052 Si 1 SUR 1.7750
1041 O313 6.0146 37.1462 1.1573 O 1 SUR -0.7100
1042 O314 6.2388 38.0043 7.3457 O 1 SUR -0.4340
1043 O315 7.3710 35.7657 2.9590 O 1 SUR -0.7100
1044 O316 7.8884 37.6306 4.7607 O 1 SUR -0.7100
1045 O317 5.3934 38.2222 4.2479 O 1 SUR -0.7100
1046 O318 4.8760 40.0871 2.4462 O 1 SUR -0.7100
1047 O319 6.7498 39.6027 0.6445 O 1 SUR -0.7100
1048 O31a 6.7498 39.6027 6.0497 O 1 SUR -0.7100
1049 Aff 10.5097 33.2362 1.8017 Si 1 SUR 1.7750
1050 A100 8.5096 36.7006 3.6035 Si 1 SUR 1.7750
1051 O31b 10.7642 35.6927 0.0000 O 1 SUR -0.7100
1052 A101 10.7642 35.6927 5.4052 Si 1 SUR 1.7750
1053 O31c 10.2693 34.6897 1.1573 O 1 SUR -0.7100
1054 O31d 10.4903 35.5538 7.3467 O 1 SUR -0.4340
1055 O31e 11.6258 33.3092 2.9590 O 1 SUR -0.7100
1056 O31f 12.1432 35.1741 4.7607 O 1 SUR -0.7100
1057 O320 9.6481 35.7657 4.2479 O 1 SUR -0.7100
1058 O321 9.1308 37.6306 2.4462 O 1 SUR -0.7100
1059 O322 11.0046 37.1462 0.6445 O 1 SUR -0.7100
1060 O323 11.0046 37.1462 6.0497 O 1 SUR -0.7100
1061 A102 14.7645 30.7797 1.8017 Si 1 SUR 1.7750
1062 A103 12.7643 34.2441 3.6035 Si 1 SUR 1.7750
1063 O324 15.0190 33.2362 0.0000 O 1 SUR -0.7100
1064 A104 15.0190 33.2362 5.4052 Si 1 SUR 1.7750
1065 O325 14.5241 32.2332 1.1573 O 1 SUR -0.7100
1066 O326 14.7430 33.0797 7.3435 O 1 SUR -0.4340
1067 O327 15.8806 30.8527 2.9590 O 1 SUR -0.7100
1068 O328 16.3979 32.7176 4.7607 O 1 SUR -0.7100
1069 O329 13.9029 33.3092 4.2479 O 1 SUR -0.7100
1070 O32a 13.3855 35.1741 2.4462 O 1 SUR -0.7100
1071 O32b 15.2594 34.6897 0.6445 O 1 SUR -0.7100
1072 O32c 15.2594 34.6897 6.0497 O 1 SUR -0.7100
1073 A105 19.0193 28.3232 1.8017 Si 1 SUR 1.7750
1074 A106 17.0191 31.7876 3.6035 Si 1 SUR 1.7750
1075 O32d 19.2737 30.7797 0.0000 O 1 SUR -0.7100
1076 A107 19.2737 30.7797 5.4052 Si 1 SUR 1.7750
1077 O32e 18.7789 29.7767 1.1573 O 1 SUR -0.7100
1078 O32f 18.9986 30.6362 7.3462 O 1 SUR -0.4340
1079 O330 20.1353 28.3962 2.9590 O 1 SUR -0.7100
1080 O331 20.6527 30.2611 4.7607 O 1 SUR -0.7100
1081 O332 18.1577 30.8527 4.2479 O 1 SUR -0.7100
1082 O333 17.6403 32.7176 2.4462 O 1 SUR -0.7100
1083 O334 19.5141 32.2332 0.6445 O 1 SUR -0.7100
1084 O335 19.5141 32.2332 6.0497 O 1 SUR -0.7100
1085 A108 23.2741 25.8667 1.8017 Si 1 SUR 1.7750
1086 A109 21.2739 29.3311 3.6035 Si 1 SUR 1.7750
1087 O336 23.5285 28.3232 0.0000 O 1 SUR -0.7100
1088 A10a 23.5285 28.3232 5.4052 Si 1 SUR 1.7750
1089 O337 23.0337 27.3202 1.1573 O 1 SUR -0.7100
1090 O338 23.2522 28.1781 7.3460 O 1 SUR -0.4340
1091 O339 24.3901 25.9397 2.9590 O 1 SUR -0.7100
1092 O33a 24.9075 27.8046 4.7607 O 1 SUR -0.7100
1093 O33b 22.4125 28.3962 4.2479 O 1 SUR -0.7100
1094 O33c 21.8951 30.2611 2.4462 O 1 SUR -0.7100
1095 O33d 23.7689 29.7767 0.6445 O 1 SUR -0.7100
1096 O33e 23.7689 29.7767 6.0497 O 1 SUR -0.7100
1097 A10b 27.5289 23.4102 1.8017 Si 1 SUR 1.7750
1098 A10c 25.5287 26.8746 3.6035 Si 1 SUR 1.7750
1099 O33f 27.7833 25.8667 0.0000 O 1 SUR -0.7100
1100 A10d 27.7833 25.8667 5.4052 Si 1 SUR 1.7750
1101 O340 27.2885 24.8637 1.1573 O 1 SUR -0.7100
1102 O341 27.5142 25.7201 7.3464 O 1 SUR -0.4340
1103 O342 28.6449 23.4832 2.9590 O 1 SUR -0.7100
1104 O343 29.1623 25.3481 4.7607 O 1 SUR -0.7100
1105 O344 26.6673 25.9397 4.2479 O 1 SUR -0.7100
1106 O345 26.1499 27.8046 2.4462 O 1 SUR -0.7100
1107 O346 28.0237 27.3202 0.6445 O 1 SUR -0.7100
1108 O347 28.0237 27.3202 6.0497 O 1 SUR -0.7100
1109 A10e 31.7837 20.9537 1.8017 Si 1 SUR 1.7750
1110 A10f 29.7835 24.4181 3.6035 Si 1 SUR 1.7750
1111 O348 32.0381 23.4102 0.0000 O 1 SUR -0.7100
1112 A110 32.0381 23.4102 5.4052 Si 1 SUR 1.7750
1113 O349 31.5433 22.4072 1.1573 O 1 SUR -0.7100
1114 O34a 31.7610 23.2728 7.3457 O 1 SUR -0.4340
1115 O34b 32.8997 21.0267 2.9590 O 1 SUR -0.7100
1116 O34c 33.4171 22.8916 4.7607 O 1 SUR -0.7100
1117 O34d 30.9221 23.4832 4.2479 O 1 SUR -0.7100
1118 O34e 30.4047 25.3481 2.4462 O 1 SUR -0.7100
1119 O34f 32.2785 24.8637 0.6445 O 1 SUR -0.7100
1120 O350 32.2785 24.8637 6.0497 O 1 SUR -0.7100
1121 A111 36.0384 18.4972 1.8017 Si 1 SUR 1.7750
1122 A112 34.0383 21.9616 3.6035 Si 1 SUR 1.7750
1123 O351 36.2929 20.9537 0.0000 O 1 SUR -0.7100
1124 A113 36.2929 20.9537 5.4052 Si 1 SUR 1.7750
1125 O352 35.7980 19.9507 1.1573 O 1 SUR -0.7100
1126 O353 36.0180 20.7994 7.3441 O 1 SUR -0.4340
1127 O354 35.1768 21.0267 4.2479 O 1 SUR -0.7100
1128 O355 34.6595 22.8916 2.4462 O 1 SUR -0.7100
1129 O356 36.5333 22.4072 0.6445 O 1 SUR -0.7100
1130 O357 36.5333 22.4072 6.0497 O 1 SUR -0.7100
1131 A114 40.2932 16.0407 1.8017 Si 1 SUR 1.7750
1132 A115 40.5477 18.4972 5.4052 Si 1 SUR 1.7750
1133 O358 40.3102 18.3452 7.3528 O 1 SUR -0.4340
1134 A116 6.2550 40.6057 1.8017 Si 1 SUR 1.7750
1135 A117 6.5094 43.0622 5.4052 Si 1 SUR 1.7750
1136 O359 6.0146 42.0592 1.1573 O 1 SUR -0.7100
1137 O35a 6.2624 42.9122 7.3513 O 1 SUR -0.4340
1138 O35b 7.3710 40.6787 2.9590 O 1 SUR -0.7100
1139 O35c 7.8884 42.5436 4.7607 O 1 SUR -0.7100
1140 A118 10.5097 38.1492 1.8017 Si 1 SUR 1.7750
1141 A119 8.5096 41.6136 3.6035 Si 1 SUR 1.7750
1142 A11a 10.7642 40.6057 5.4052 Si 1 SUR 1.7750
1143 O35d 10.2693 39.6027 1.1573 O 1 SUR -0.7100
1144 O35e 10.5262 40.4535 7.3526 O 1 SUR -0.4340
1145 O35f 11.6258 38.2222 2.9590 O 1 SUR -0.7100
1146 O360 12.1432 40.0871 4.7607 O 1 SUR -0.7100
1147 O361 9.6481 40.6787 4.2479 O 1 SUR -0.7100
1148 O362 11.0046 42.0592 6.0497 O 1 SUR -0.7100
1149 A11b 14.7645 35.6927 1.8017 Si 1 SUR 1.7750
1150 A11c 12.7643 39.1571 3.6035 Si 1 SUR 1.7750
1151 A11d 15.0190 38.1492 5.4052 Si 1 SUR 1.7750
1152 O363 14.5241 37.1462 1.1573 O 1 SUR -0.7100
1153 O364 14.7769 37.9919 7.3510 O 1 SUR -0.4340
1154 O365 15.8806 35.7657 2.9590 O 1 SUR -0.7100
1155 O366 16.3979 37.6306 4.7607 O 1 SUR -0.7100
1156 O367 13.9029 38.2222 4.2479 O 1 SUR -0.7100
1157 O368 15.2594 39.6027 6.0497 O 1 SUR -0.7100
1158 A11e 19.0193 33.2362 1.8017 Si 1 SUR 1.7750
1159 A11f 17.0191 36.7006 3.6035 Si 1 SUR 1.7750
1160 A120 19.2737 35.6927 5.4052 Si 1 SUR 1.7750
1161 O369 18.7789 34.6897 1.1573 O 1 SUR -0.7100
1162 O36a 19.0384 35.5387 7.3520 O 1 SUR -0.4340
1163 O36b 20.1353 33.3092 2.9590 O 1 SUR -0.7100
1164 O36c 20.6527 35.1741 4.7607 O 1 SUR -0.7100
1165 O36d 18.1577 35.7657 4.2479 O 1 SUR -0.7100
1166 O36e 19.5141 37.1462 6.0497 O 1 SUR -0.7100
1167 A121 23.2741 30.7797 1.8017 Si 1 SUR 1.7750
1168 A122 21.2739 34.2441 3.6035 Si 1 SUR 1.7750
1169 A123 23.5285 33.2362 5.4052 Si 1 SUR 1.7750
1170 O36f 23.0337 32.2332 1.1573 O 1 SUR -0.7100
1171 O370 23.2952 33.0877 7.3532 O 1 SUR -0.4340
1172 O371 24.3901 30.8527 2.9590 O 1 SUR -0.7100
1173 O372 24.9075 32.7176 4.7607 O 1 SUR -0.7100
1174 O373 22.4125 33.3092 4.2479 O 1 SUR -0.7100
1175 O374 23.7689 34.6897 6.0497 O 1 SUR -0.7100
1176 A124 27.5289 28.3232 1.8017 Si 1 SUR 1.7750
1177 A125 25.5287 31.7876 3.6035 Si 1 SUR 1.7750
1178 A126 27.7833 30.7797 5.4052 Si 1 SUR 1.7750
1179 O375 27.2885 29.7767 1.1573 O 1 SUR -0.7100
1180 O376 27.5452 30.6265 7.3526 O 1 SUR -0.4340
1181 O377 28.6449 28.3962 2.9590 O 1 SUR -0.7100
1182 O378 29.1623 30.2611 4.7607 O 1 SUR -0.7100
1183 O379 26.6673 30.8527 4.2479 O 1 SUR -0.7100
1184 O37a 28.0237 32.2332 6.0497 O 1 SUR -0.7100
1185 A127 31.7837 25.8667 1.8017 Si 1 SUR 1.7750
1186 A128 29.7835 29.3311 3.6035 Si 1 SUR 1.7750
1187 A129 32.0381 28.3232 5.4052 Si 1 SUR 1.7750
1188 O37b 31.5433 27.3202 1.1573 O 1 SUR -0.7100
1189 O37c 31.7910 28.1679 7.3509 O 1 SUR -0.4340
1190 O37d 32.8997 25.9397 2.9590 O 1 SUR -0.7100
1191 O37e 33.4171 27.8046 4.7607 O 1 SUR -0.7100
1192 O37f 30.9221 28.3962 4.2479 O 1 SUR -0.7100
1193 O380 32.2785 29.7767 6.0497 O 1 SUR -0.7100
1194 A12a 36.0384 23.4102 1.8017 Si 1 SUR 1.7750
1195 A12b 34.0383 26.8746 3.6035 Si 1 SUR 1.7750
1196 A12c 36.2929 25.8667 5.4052 Si 1 SUR 1.7750
1197 O381 35.7980 24.8637 1.1573 O 1 SUR -0.7100
1198 O382 36.0498 25.7152 7.3512 O 1 SUR -0.4340
1199 O383 35.1768 25.9397 4.2479 O 1 SUR -0.7100
1200 O384 36.5333 27.3202 6.0497 O 1 SUR -0.7100
1201 A12d 42.5478 -22.2554 3.6035 Si 1 SUR 1.7750
1202 A12e 42.5478 17.0486 3.6035 Si 1 SUR 1.7750
1203 A12f 42.5478 21.9616 3.6035 Si 1 SUR 1.7750
1204 A130 42.5478 -17.3424 3.6035 Si 1 SUR 1.7750
1205 A131 42.5478 -12.4294 3.6035 Si 1 SUR 1.7750
1206 A132 42.5478 -7.5164 3.6035 Si 1 SUR 1.7750
1207 A133 42.5478 -2.6034 3.6035 Si 1 SUR 1.7750
1208 A134 42.5478 2.3096 3.6035 Si 1 SUR 1.7750
1209 A135 42.5478 7.2226 3.6035 Si 1 SUR 1.7750
1210 A136 42.5478 12.1356 3.6035 Si 1 SUR 1.7750
1211 A137 2.0002 47.9752 1.8017 Si 1 SUR 1.7750
1212 A138 40.2932 25.8667 1.8017 Si 1 SUR 1.7750
1213 A139 6.2550 45.5187 1.8017 Si 1 SUR 1.7750
1214 A13a 10.5097 43.0622 1.8017 Si 1 SUR 1.7750
1215 A13b 14.7645 40.6057 1.8017 Si 1 SUR 1.7750
1216 A13c 19.0193 38.1492 1.8017 Si 1 SUR 1.7750
1217 A13d 23.2741 35.6927 1.8017 Si 1 SUR 1.7750
1218 A13e 27.5289 33.2362 1.8017 Si 1 SUR 1.7750
1219 A13f 31.7837 30.7797 1.8017 Si 1 SUR 1.7750
1220 A140 36.0384 28.3232 1.8017 Si 1 SUR 1.7750
1221 C1 1.4939 2.0718 8.5006 c3 2 APT 0.5210
1222 C2 1.9117 2.1413 10.0583 c3 2 APT 0.2280
1223 C3 1.1847 2.2082 11.4544 c3 2 APT 0.2280
1224 C4 2.0238 1.8991 12.7249 c3 2 APT 0.4210
1225 N1 1.1033 1.7927 13.9280 n 2 APT -0.2600
1226 H1 2.5194 3.1051 10.1429 hc 2 APT 0.0540
1227 H2 2.6231 1.2618 10.2059 hc 2 APT 0.0540
1228 H3 0.4042 1.3813 11.4989 hc 2 APT 0.0540
1229 H4 0.6524 3.2098 11.5696 hc 2 APT 0.0540
1230 H5 2.8142 2.7008 12.9025 hc 2 APT 0.0540
1231 H6 2.5351 0.8881 12.5923 hc 2 APT 0.0540
1232 H7 0.5782 2.7571 14.0893 hn 2 APT -0.3200
1233 H8 1.6832 1.5297 14.8378 hn 2 APT -0.3200
1234 O1 2.3352 3.1822 8.0176 os 2 APT -0.4440
1235 O2 0.3214 1.1912 8.3223 os 2 APT -0.4440
1236 C5 3.2805 2.1727 8.6163 c3 2 APT 0.1300
1237 C6 0.4598 0.6453 9.7015 c3 2 APT 0.1300
1238 H9 4.2239 2.0662 7.9872 h1 2 APT 0.0400
1239 Ha 3.5323 2.5907 9.6369 h1 2 APT 0.0400
1240 Hb 2.8741 1.1272 8.8149 h1 2 APT 0.0400
1241 Hc -0.2139 -0.2535 9.8635 h1 2 APT 0.0400
1242 Hd 0.0301 1.5060 10.3017 h1 2 APT 0.0400
1243 He 1.5360 0.3556 9.9572 h1 2 APT 0.0400
1244 C7 40.0291 24.2718 8.5090 c3 2 APT 0.5210
1245 C8 40.3340 24.3473 10.0874 c3 2 APT 0.2280
1246 O3 40.8447 25.4240 8.0833 os 2 APT -0.4440
1247 O4 38.8269 23.4761 8.3644 os 2 APT -0.4440
1248 C9 39.5201 24.3672 11.4502 c3 2 APT 0.2280
1249 Ca 40.3222 24.0257 12.7316 c3 2 APT 0.4210
1250 N2 39.3880 23.9037 13.9224 n 2 APT -0.2600
1251 Hf 40.9333 25.3115 10.1842 hc 2 APT 0.0540
1252 H10 41.0905 23.5135 10.2602 hc 2 APT 0.0540
1253 H11 38.7535 23.5258 11.4937 hc 2 APT 0.0540
1254 H12 38.9633 25.3545 11.5718 hc 2 APT 0.0540
1255 H13 41.1128 24.8208 12.9322 hc 2 APT 0.0540
1256 H14 40.8299 23.0145 12.5862 hc 2 APT 0.0540
1257 H15 38.8621 24.8664 14.0917 hn 2 APT -0.3200
1258 H16 39.9634 23.6311 14.8324 hn 2 APT -0.3200
1259 Cb 42.0284 24.6762 8.6500 c3 2 APT 0.1300
1260 Cc 39.1901 22.7906 9.6550 c3 2 APT 0.1300
1261 H17 42.7887 24.5039 7.8218 h1 2 APT 0.0400
1262 H18 42.4911 25.2560 9.5149 h1 2 APT 0.0400
1263 H19 41.6994 23.6445 9.0130 h1 2 APT 0.0400
1264 H1a 38.7310 21.7590 9.7807 h1 2 APT 0.0400
1265 H1b 38.5603 23.4503 10.3201 h1 2 APT 0.0400
1266 H1c 40.2937 22.6026 9.8628 h1 2 APT 0.0400
1267 Cd 1.5985 46.2918 8.5008 c3 2 APT 0.5210
1268 Ce 2.0044 46.3456 10.0547 c3 2 APT 0.2280
1269 O5 2.4723 47.4342 8.1055 os 2 APT -0.4440
1270 O6 0.3800 45.4543 8.3318 os 2 APT -0.4440
1271 Cf 1.2305 46.4338 11.4326 c3 2 APT 0.2280
1272 C10 2.0362 46.1203 12.7233 c3 2 APT 0.4210
1273 N3 1.1011 46.0081 13.9151 n 2 APT -0.2600
1274 H1d 2.6864 47.2555 10.1436 hc 2 APT 0.0540
1275 H1e 2.6585 45.4238 10.1900 hc 2 APT 0.0540
1276 H1f 0.4398 45.6165 11.4777 hc 2 APT 0.0540
1277 H20 0.7055 47.4405 11.5389 hc 2 APT 0.0540
1278 H21 2.8244 46.9205 12.9163 hc 2 APT 0.0540
1279 H22 2.5482 45.1090 12.5973 hc 2 APT 0.0540
1280 H23 0.5727 46.9709 14.0749 hn 2 APT -0.3200
1281 H24 1.6726 45.7437 14.8299 hn 2 APT -0.3200
1282 C11 3.7143 46.7567 8.6480 c3 2 APT 0.1300
1283 C12 0.4677 44.8736 9.7021 c3 2 APT 0.1300
1284 H25 4.4643 46.6096 7.8052 h1 2 APT 0.0400
1285 H26 4.1708 47.3775 9.4881 h1 2 APT 0.0400
1286 H27 3.4534 45.7184 9.0442 h1 2 APT 0.0400
1287 H28 -0.2194 43.9794 9.8342 h1 2 APT 0.0400
1288 H29 0.0359 45.7301 10.3070 h1 2 APT 0.0400
1289 H2a 1.5330 44.5695 9.9829 h1 2 APT 0.0400
1290 C13 39.8839 -20.0260 8.5019 c3 2 APT 0.5210
1291 C14 40.2872 -19.9740 10.0561 c3 2 APT 0.2280
1292 O7 40.7566 -18.8801 8.1142 os 2 APT -0.4440
1293 O8 38.6704 -20.8700 8.3294 os 2 APT -0.4440
1294 C15 39.5098 -19.8874 11.4317 c3 2 APT 0.2280
1295 C16 40.3179 -20.2053 12.7204 c3 2 APT 0.4210
1296 N4 39.3947 -20.3151 13.9222 n 2 APT -0.2600
1297 H2b 40.9696 -19.0645 10.1472 hc 2 APT 0.0540
1298 H2c 40.9401 -20.8965 10.1917 hc 2 APT 0.0540
1299 H2d 38.7180 -20.7037 11.4750 hc 2 APT 0.0540
1300 H2e 38.9871 -18.8794 11.5380 hc 2 APT 0.0540
1301 H2f 41.1102 -19.4078 12.9075 hc 2 APT 0.0540
1302 H30 40.8270 -21.2175 12.5908 hc 2 APT 0.0540
1303 H31 38.8649 -19.3536 14.0856 hn 2 APT -0.3200
1304 H32 39.9734 -20.5789 14.8329 hn 2 APT -0.3200
1305 C17 41.9972 -19.5637 8.6512 c3 2 APT 0.1300
1306 C18 38.7588 -21.4524 9.6986 c3 2 APT 0.1300
1307 H33 42.7464 -19.7091 7.8075 h1 2 APT 0.0400
1308 H34 42.4566 -18.9489 9.4941 h1 2 APT 0.0400
1309 H35 41.7324 -20.6026 9.0433 h1 2 APT 0.0400
1310 H36 38.0743 -22.3490 9.8274 h1 2 APT 0.0400
1311 H37 38.3219 -20.5984 10.3029 h1 2 APT 0.0400
1312 H38 39.8246 -21.7520 9.9820 h1 2 APT 0.0400
1313 C19 5.7515 -0.3880 8.5034 c3 2 APT 0.5210
1314 C1a 6.1723 -0.3180 10.0599 c3 2 APT 0.2280
1315 C1b 5.4406 -0.2473 11.4525 c3 2 APT 0.2280
1316 C1c 6.2762 -0.5567 12.7250 c3 2 APT 0.4210
1317 N5 5.3563 -0.6645 13.9283 n 2 APT -0.2600
1318 H39 6.7804 0.6455 10.1459 hc 2 APT 0.0540
1319 H3a 6.8814 -1.1994 10.2077 hc 2 APT 0.0540
1320 H3b 4.6579 -1.0720 11.4965 hc 2 APT 0.0540
1321 H3c 4.9117 0.7564 11.5653 hc 2 APT 0.0540
1322 H3d 7.0658 0.2458 12.9028 hc 2 APT 0.0540
1323 H3e 6.7885 -1.5673 12.5943 hc 2 APT 0.0540
1324 H3f 4.8257 0.2972 14.0881 hn 2 APT -0.3200
1325 H40 5.9385 -0.9234 14.8379 hn 2 APT -0.3200
1326 O9 6.5823 0.7290 8.0194 os 2 APT -0.4440
1327 Oa 4.5749 -1.2618 8.3218 os 2 APT -0.4440
1328 C1d 7.5336 -0.2781 8.6144 c3 2 APT 0.1300
1329 C1e 4.7113 -1.8093 9.7011 c3 2 APT 0.1300
1330 H41 8.4742 -0.3842 7.9813 h1 2 APT 0.0400
1331 H42 7.7901 0.1399 9.6336 h1 2 APT 0.0400
1332 H43 7.1320 -1.3254 8.8142 h1 2 APT 0.0400
1333 H44 4.0395 -2.7099 9.8617 h1 2 APT 0.0400
1334 H45 4.2803 -0.9497 10.3022 h1 2 APT 0.0400
1335 H46 5.7869 -2.0990 9.9591 h1 2 APT 0.0400
1336 C1f 10.0069 -2.8423 8.5010 c3 2 APT 0.5210
1337 C20 10.4236 -2.7725 10.0589 c3 2 APT 0.2280
1338 C21 9.6943 -2.7045 11.4533 c3 2 APT 0.2280
1339 C22 10.5311 -3.0117 12.7257 c3 2 APT 0.4210
1340 N6 9.6097 -3.1233 13.9275 n 2 APT -0.2600
1341 H47 11.0288 -1.8075 10.1458 hc 2 APT 0.0540
1342 H48 11.1340 -3.6528 10.2070 hc 2 APT 0.0540
1343 H49 8.9156 -3.5330 11.4957 hc 2 APT 0.0540
1344 H4a 9.1599 -1.7038 11.5668 hc 2 APT 0.0540
1345 H4b 11.3181 -2.2070 12.9055 hc 2 APT 0.0540
1346 H4c 11.0467 -4.0204 12.5933 hc 2 APT 0.0540
1347 H4d 9.0804 -2.1610 14.0877 hn 2 APT -0.3200
1348 H4e 10.1905 -3.3823 14.8380 hn 2 APT -0.3200
1349 Ob 10.8354 -1.7242 8.0158 os 2 APT -0.4440
1350 Oc 8.8320 -3.7170 8.3166 os 2 APT -0.4440
1351 C23 11.7854 -2.7289 8.6171 c3 2 APT 0.1300
1352 C24 8.9663 -4.2637 9.6963 c3 2 APT 0.1300
1353 H4f 12.7254 -2.8379 7.9837 h1 2 APT 0.0400
1354 H50 12.0405 -2.3058 9.6345 h1 2 APT 0.0400
1355 H51 11.3865 -3.7765 8.8212 h1 2 APT 0.0400
1356 H52 8.2904 -5.1611 9.8573 h1 2 APT 0.0400
1357 H53 8.5385 -3.4031 10.2982 h1 2 APT 0.0400
1358 H54 10.0409 -4.5568 9.9548 h1 2 APT 0.0400
1359 C25 14.2630 -5.2959 8.5015 c3 2 APT 0.5210
1360 C26 14.6781 -5.2270 10.0595 c3 2 APT 0.2280
1361 C27 13.9486 -5.1544 11.4533 c3 2 APT 0.2280
1362 C28 14.7869 -5.4670 12.7232 c3 2 APT 0.4210
1363 N7 13.8683 -5.5714 13.9277 n 2 APT -0.2600
1364 H55 15.2879 -4.2647 10.1450 hc 2 APT 0.0540
1365 H56 15.3854 -6.1095 10.2091 hc 2 APT 0.0540
1366 H57 13.1653 -5.9785 11.4981 hc 2 APT 0.0540
1367 H58 13.4206 -4.1504 11.5676 hc 2 APT 0.0540
1368 H59 15.5788 -4.6666 12.9001 hc 2 APT 0.0540
1369 H5a 15.2966 -6.4789 12.5915 hc 2 APT 0.0540
1370 H5b 13.3420 -4.6073 14.0877 hn 2 APT -0.3200
1371 H5c 14.4494 -5.8343 14.8369 hn 2 APT -0.3200
1372 Od 15.1023 -4.1839 8.0204 os 2 APT -0.4440
1373 Oe 13.0833 -6.1653 8.3226 os 2 APT -0.4440
1374 C29 16.0454 -5.1956 8.6197 c3 2 APT 0.1300
1375 C2a 13.2181 -6.7149 9.7012 c3 2 APT 0.1300
1376 H5d 16.9877 -5.3051 7.9897 h1 2 APT 0.0400
1377 H5e 16.2994 -4.7772 9.6395 h1 2 APT 0.0400
1378 H5f 15.6370 -6.2406 8.8179 h1 2 APT 0.0400
1379 H60 12.5444 -7.6142 9.8611 h1 2 APT 0.0400
1380 H61 12.7893 -5.8551 10.3034 h1 2 APT 0.0400
1381 H62 14.2934 -7.0083 9.9567 h1 2 APT 0.0400
1382 C2b 18.5227 -7.7492 8.5000 c3 2 APT 0.5210
1383 C2c 18.9346 -7.6837 10.0588 c3 2 APT 0.2280
1384 C2d 18.2031 -7.6145 11.4517 c3 2 APT 0.2280
1385 C2e 19.0421 -7.9204 12.7227 c3 2 APT 0.4210
1386 N8 18.1233 -8.0285 13.9267 n 2 APT -0.2600
1387 H63 19.5416 -6.7199 10.1466 hc 2 APT 0.0540
1388 H64 19.6453 -8.5637 10.2077 hc 2 APT 0.0540
1389 H65 17.4231 -8.4418 11.4968 hc 2 APT 0.0540
1390 H66 17.6717 -6.6121 11.5647 hc 2 APT 0.0540
1391 H67 19.8315 -7.1174 12.8994 hc 2 APT 0.0540
1392 H68 19.5554 -8.9305 12.5919 hc 2 APT 0.0540
1393 H69 17.5939 -7.0661 14.0862 hn 2 APT -0.3200
1394 H6a 18.7045 -8.2883 14.8367 hn 2 APT -0.3200
1395 Of 19.3589 -6.6355 8.0167 os 2 APT -0.4440
1396 O10 17.3460 -8.6214 8.3196 os 2 APT -0.4440
1397 C2f 20.2997 -7.6488 8.6171 c3 2 APT 0.1300
1398 C30 17.4788 -9.1780 9.6958 c3 2 APT 0.1300
1399 H6b 21.2427 -7.7596 7.9883 h1 2 APT 0.0400
1400 H6c 20.5529 -7.2318 9.6378 h1 2 APT 0.0400
1401 H6d 19.8907 -8.6935 8.8154 h1 2 APT 0.0400
1402 H6e 16.8055 -10.0786 9.8499 h1 2 APT 0.0400
1403 H6f 17.0468 -8.3223 10.3014 h1 2 APT 0.0400
1404 H70 18.5536 -9.4689 9.9557 h1 2 APT 0.0400
1405 C31 22.7705 -10.2063 8.5022 c3 2 APT 0.5210
1406 C32 23.1872 -10.1375 10.0594 c3 2 APT 0.2280
1407 C33 22.4547 -10.0648 11.4511 c3 2 APT 0.2280
1408 C34 23.2966 -10.3781 12.7178 c3 2 APT 0.4210
1409 N9 22.3778 -10.4860 13.9212 n 2 APT -0.2600
1410 H71 23.7984 -9.1762 10.1460 hc 2 APT 0.0540
1411 H72 23.8930 -11.0212 10.2085 hc 2 APT 0.0540
1412 H73 21.6722 -10.8896 11.4971 hc 2 APT 0.0540
1413 H74 21.9266 -9.0609 11.5671 hc 2 APT 0.0540
1414 H75 24.0877 -9.5769 12.8951 hc 2 APT 0.0540
1415 H76 23.8066 -11.3895 12.5839 hc 2 APT 0.0540
1416 H77 21.8490 -9.5236 14.0823 hn 2 APT -0.3200
1417 H78 22.9586 -10.7479 14.8308 hn 2 APT -0.3200
1418 O11 23.6052 -9.0940 8.0148 os 2 APT -0.4440
1419 O12 21.5949 -11.0809 8.3207 os 2 APT -0.4440
1420 C35 24.5524 -10.1032 8.6137 c3 2 APT 0.1300
1421 C36 21.7270 -11.6321 9.6990 c3 2 APT 0.1300
1422 H79 25.4934 -10.2139 7.9818 h1 2 APT 0.0400
1423 H7a 24.8071 -9.6807 9.6313 h1 2 APT 0.0400
1424 H7b 24.1478 -11.1484 8.8186 h1 2 APT 0.0400
1425 H7c 21.0532 -12.5318 9.8567 h1 2 APT 0.0400
1426 H7d 21.2969 -10.7737 10.3021 h1 2 APT 0.0400
1427 H7e 22.8023 -11.9228 9.9573 h1 2 APT 0.0400
1428 C37 27.0214 -12.6614 8.5038 c3 2 APT 0.5210
1429 C38 27.4417 -12.5991 10.0606 c3 2 APT 0.2280
1430 C39 26.7112 -12.5248 11.4532 c3 2 APT 0.2280
1431 C3a 27.5480 -12.8363 12.7242 c3 2 APT 0.4210
1432 Na 26.6252 -12.9434 13.9249 n 2 APT -0.2600
1433 H7f 28.0510 -11.6370 10.1497 hc 2 APT 0.0540
1434 H80 28.1487 -13.4827 10.2061 hc 2 APT 0.0540
1435 H81 25.9274 -13.3486 11.4963 hc 2 APT 0.0540
1436 H82 26.1840 -11.5202 11.5670 hc 2 APT 0.0540
1437 H83 28.3384 -12.0348 12.9035 hc 2 APT 0.0540
1438 H84 28.0594 -13.8473 12.5927 hc 2 APT 0.0540
1439 H85 26.1004 -11.9785 14.0845 hn 2 APT -0.3200
1440 H86 27.2064 -13.2044 14.8345 hn 2 APT -0.3200
1441 O13 27.8519 -11.5439 8.0202 os 2 APT -0.4440
1442 O14 25.8485 -13.5386 8.3171 os 2 APT -0.4440
1443 C3b 28.8012 -12.5548 8.6118 c3 2 APT 0.1300
1444 C3c 25.9813 -14.0866 9.6965 c3 2 APT 0.1300
1445 H87 29.7421 -12.6597 7.9789 h1 2 APT 0.0400
1446 H88 29.0560 -12.1346 9.6299 h1 2 APT 0.0400
1447 H89 28.4014 -13.6022 8.8146 h1 2 APT 0.0400
1448 H8a 25.3064 -14.9850 9.8561 h1 2 APT 0.0400
1449 H8b 25.5537 -13.2265 10.2993 h1 2 APT 0.0400
1450 H8c 27.0556 -14.3808 9.9547 h1 2 APT 0.0400
1451 C3d 31.2900 -15.1233 8.5020 c3 2 APT 0.5210
1452 C3e 31.7015 -15.0553 10.0609 c3 2 APT 0.2280
1453 C3f 30.9687 -14.9875 11.4525 c3 2 APT 0.2280
1454 C40 31.8100 -15.2974 12.7209 c3 2 APT 0.4210
1455 Nb 30.8871 -15.4087 13.9209 n 2 APT -0.2600
1456 H8d 32.3085 -14.0916 10.1502 hc 2 APT 0.0540
1457 H8e 32.4098 -15.9370 10.2100 hc 2 APT 0.0540
1458 H8f 30.1877 -15.8141 11.4953 hc 2 APT 0.0540
1459 H90 30.4377 -13.9852 11.5686 hc 2 APT 0.0540
1460 H91 32.5977 -14.4936 12.9014 hc 2 APT 0.0540
1461 H92 32.3242 -16.3068 12.5882 hc 2 APT 0.0540
1462 H93 30.3573 -14.4466 14.0807 hn 2 APT -0.3200
1463 H94 31.4656 -15.6699 14.8320 hn 2 APT -0.3200
1464 O15 32.1170 -14.0049 8.0141 os 2 APT -0.4440
1465 O16 30.1067 -15.9862 8.3176 os 2 APT -0.4440
1466 C41 33.0614 -15.0147 8.6154 c3 2 APT 0.1300
1467 C42 30.2370 -16.5452 9.6933 c3 2 APT 0.1300
1468 H95 34.0025 -15.1267 7.9840 h1 2 APT 0.0400
1469 H96 33.3166 -14.5923 9.6329 h1 2 APT 0.0400
1470 H97 32.6575 -16.0602 8.8199 h1 2 APT 0.0400
1471 H98 29.5597 -17.4426 9.8490 h1 2 APT 0.0400
1472 H99 29.8105 -15.6872 10.2995 h1 2 APT 0.0400
1473 H9a 31.3112 -16.8398 9.9517 h1 2 APT 0.0400
1474 C43 35.5479 -17.5843 8.5030 c3 2 APT 0.5210
1475 C44 35.9630 -17.5135 10.0604 c3 2 APT 0.2280
1476 C45 35.2293 -17.4386 11.4511 c3 2 APT 0.2280
1477 C46 36.0668 -17.7436 12.7228 c3 2 APT 0.4210
1478 Nc 35.1392 -17.8541 13.9197 n 2 APT -0.2600
1479 H9b 36.5648 -16.5467 10.1490 hc 2 APT 0.0540
1480 H9c 36.6746 -18.3926 10.2092 hc 2 APT 0.0540
1481 H9d 34.4491 -18.2655 11.4979 hc 2 APT 0.0540
1482 H9e 34.6977 -16.4359 11.5607 hc 2 APT 0.0540
1483 H9f 36.8546 -16.9396 12.9026 hc 2 APT 0.0540
1484 Ha0 36.5812 -18.7534 12.5936 hc 2 APT 0.0540
1485 Ha1 34.6073 -16.8927 14.0770 hn 2 APT -0.3200
1486 Ha2 35.7143 -18.1146 14.8332 hn 2 APT -0.3200
1487 O17 36.3665 -16.4622 8.0092 os 2 APT -0.4440
1488 O18 34.3618 -18.4436 8.3249 os 2 APT -0.4440
1489 C47 37.3274 -17.4538 8.6101 c3 2 APT 0.1300
1490 C48 34.4952 -19.0019 9.7000 c3 2 APT 0.1300
1491 Ha3 38.2704 -17.5535 7.9802 h1 2 APT 0.0400
1492 Ha4 37.5739 -17.0279 9.6280 h1 2 APT 0.0400
1493 Ha5 36.9323 -18.5037 8.8107 h1 2 APT 0.0400
1494 Ha6 33.8184 -19.9000 9.8540 h1 2 APT 0.0400
1495 Ha7 34.0670 -18.1448 10.3062 h1 2 APT 0.0400
1496 Ha8 35.5697 -19.2965 9.9569 h1 2 APT 0.0400
1497 C49 1.4999 6.9871 8.4991 c3 2 APT 0.5210
1498 C4a 1.9140 7.0554 10.0574 c3 2 APT 0.2280
1499 C4b 1.1834 7.1247 11.4508 c3 2 APT 0.2280
1500 C4c 2.0173 6.8138 12.7242 c3 2 APT 0.4210
1501 Nd 1.0952 6.7089 13.9267 n 2 APT -0.2600
1502 Ha9 2.5235 8.0176 10.1454 hc 2 APT 0.0540
1503 Haa 2.6202 6.1719 10.2064 hc 2 APT 0.0540
1504 Hab 0.4010 6.2997 11.4948 hc 2 APT 0.0540
1505 Hac 0.6552 8.1285 11.5653 hc 2 APT 0.0540
1506 Had 2.8094 7.6137 12.9028 hc 2 APT 0.0540
1507 Hae 2.5265 5.8017 12.5925 hc 2 APT 0.0540
1508 Haf 0.5716 7.6742 14.0884 hn 2 APT -0.3200
1509 Hb0 1.6729 6.4430 14.8371 hn 2 APT -0.3200
1510 O19 2.3375 8.0996 8.0136 os 2 APT -0.4440
1511 O1a 0.3251 6.1097 8.3218 os 2 APT -0.4440
1512 C4d 3.2805 7.0914 8.6197 c3 2 APT 0.1300
1513 C4e 0.4590 5.5561 9.6993 c3 2 APT 0.1300
1514 Hb1 4.2230 6.9795 7.9904 h1 2 APT 0.0400
1515 Hb2 3.5354 7.5104 9.6394 h1 2 APT 0.0400
1516 Hb3 2.8751 6.0456 8.8200 h1 2 APT 0.0400
1517 Hb4 -0.2119 4.6538 9.8555 h1 2 APT 0.0400
1518 Hb5 0.0258 6.4133 10.3019 h1 2 APT 0.0400
1519 Hb6 1.5346 5.2679 9.9592 h1 2 APT 0.0400
1520 C4f 5.8936 4.6161 8.5117 c3 2 APT 0.5210
1521 C50 6.2071 4.6973 10.0941 c3 2 APT 0.2280
1522 C51 5.4456 4.7053 11.4753 c3 2 APT 0.2280
1523 C52 6.2830 4.3730 12.7361 c3 2 APT 0.4210
1524 Ne 5.3501 4.2516 13.9263 n 2 APT -0.2600
1525 Hb7 6.7720 5.6848 10.1840 hc 2 APT 0.0540
1526 Hb8 6.9930 3.8895 10.2764 hc 2 APT 0.0540
1527 Hb9 4.6885 3.8558 11.5199 hc 2 APT 0.0540
1528 Hba 4.8857 5.6892 11.6055 hc 2 APT 0.0540
1529 Hbb 7.0700 5.1742 12.9282 hc 2 APT 0.0540
1530 Hbc 6.7952 3.3644 12.5879 hc 2 APT 0.0540
1531 Hbd 4.8239 5.2153 14.0894 hn 2 APT -0.3200
1532 Hbe 5.9235 3.9830 14.8385 hn 2 APT -0.3200
1533 O1b 6.6750 5.7293 7.9877 os 2 APT -0.4440
1534 O1c 4.7318 3.7855 8.3626 os 2 APT -0.4440
1535 C53 7.5429 4.6645 8.6139 c3 2 APT 0.1300
1536 C54 5.1346 3.1264 9.6559 c3 2 APT 0.1300
1537 Hbf 8.4955 4.5079 8.0097 h1 2 APT 0.0400
1538 Hc0 7.7957 5.0926 9.6301 h1 2 APT 0.0400
1539 Hc1 7.0913 3.6413 8.8307 h1 2 APT 0.0400
1540 Hc2 4.6964 2.0881 9.7969 h1 2 APT 0.0400
1541 Hc3 4.5121 3.7809 10.3332 h1 2 APT 0.0400
1542 Hc4 6.2476 2.9573 9.8342 h1 2 APT 0.0400
1543 C55 10.1545 2.1593 8.5138 c3 2 APT 0.5210
1544 C56 10.4602 2.2389 10.0977 c3 2 APT 0.2280
1545 C57 9.6920 2.2515 11.4754 c3 2 APT 0.2280
1546 C58 10.5300 1.9173 12.7361 c3 2 APT 0.4210
1547 Nf 9.6050 1.7959 13.9331 n 2 APT -0.2600
1548 Hc5 11.0260 3.2255 10.1898 hc 2 APT 0.0540
1549 Hc6 11.2459 1.4316 10.2826 hc 2 APT 0.0540
1550 Hc7 8.9311 1.4053 11.5187 hc 2 APT 0.0540
1551 Hc8 9.1355 3.2378 11.6028 hc 2 APT 0.0540
1552 Hc9 11.3202 2.7163 12.9247 hc 2 APT 0.0540
1553 Hca 11.0401 0.9080 12.5861 hc 2 APT 0.0540
1554 Hcb 9.0771 2.7579 14.1002 hn 2 APT -0.3200
1555 Hcc 10.1849 1.5275 14.8413 hn 2 APT -0.3200
1556 O1d 10.9306 3.2726 7.9809 os 2 APT -0.4440
1557 O1e 8.9970 1.3241 8.3580 os 2 APT -0.4440
1558 C59 11.7951 2.2075 8.6107 c3 2 APT 0.1300
1559 C5a 9.3937 0.6683 9.6549 c3 2 APT 0.1300
1560 Hcd 12.7473 2.0464 8.0073 h1 2 APT 0.0400
1561 Hce 12.0471 2.6397 9.6251 h1 2 APT 0.0400
1562 Hcf 11.3409 1.1862 8.8307 h1 2 APT 0.0400
1563 Hd0 8.9547 -0.3703 9.7908 h1 2 APT 0.0400
1564 Hd1 8.7669 1.3210 10.3301 h1 2 APT 0.0400
1565 Hd2 10.5054 0.4985 9.8400 h1 2 APT 0.0400
1566 C5b 14.4100 -0.2957 8.5143 c3 2 APT 0.5210
1567 C5c 14.7186 -0.2155 10.0977 c3 2 APT 0.2280
1568 C5d 13.9527 -0.2074 11.4768 c3 2 APT 0.2280
1569 C5e 14.7920 -0.5380 12.7375 c3 2 APT 0.4210
1570 N10 13.8676 -0.6594 13.9343 n 2 APT -0.2600
1571 Hd3 15.2836 0.7718 10.1893 hc 2 APT 0.0540
1572 Hd4 15.5048 -1.0228 10.2806 hc 2 APT 0.0540
1573 Hd5 13.1960 -1.0574 11.5184 hc 2 APT 0.0540
1574 Hd6 13.3922 0.7766 11.6047 hc 2 APT 0.0540
1575 Hd7 15.5788 0.2645 12.9254 hc 2 APT 0.0540
1576 Hd8 15.3050 -1.5463 12.5896 hc 2 APT 0.0540
1577 Hd9 13.3393 0.3029 14.0981 hn 2 APT -0.3200
1578 Hda 14.4473 -0.9236 14.8438 hn 2 APT -0.3200
1579 O1f 15.1860 0.8198 7.9875 os 2 APT -0.4440
1580 O20 13.2537 -1.1324 8.3593 os 2 APT -0.4440
1581 C5f 16.0503 -0.2493 8.6121 c3 2 APT 0.1300
1582 C60 13.6461 -1.7857 9.6579 c3 2 APT 0.1300
1583 Hdb 17.0013 -0.4087 8.0063 h1 2 APT 0.0400
1584 Hdc 16.3065 0.1757 9.6286 h1 2 APT 0.0400
1585 Hdd 15.5941 -1.2705 8.8285 h1 2 APT 0.0400
1586 Hde 13.2031 -2.8223 9.7967 h1 2 APT 0.0400
1587 Hdf 13.0206 -1.1272 10.3292 h1 2 APT 0.0400
1588 He0 14.7573 -1.9569 9.8448 h1 2 APT 0.0400
1589 C61 18.6709 -2.7666 8.5135 c3 2 APT 0.5210
1590 C62 18.9761 -2.6783 10.0966 c3 2 APT 0.2280
1591 C63 18.2102 -2.6614 11.4750 c3 2 APT 0.2280
1592 C64 19.0478 -2.9950 12.7356 c3 2 APT 0.4210
1593 N11 18.1154 -3.1221 13.9259 n 2 APT -0.2600
1594 He1 19.5394 -1.6898 10.1844 hc 2 APT 0.0540
1595 He2 19.7626 -3.4844 10.2834 hc 2 APT 0.0540
1596 He3 17.4501 -3.5080 11.5216 hc 2 APT 0.0540
1597 He4 17.6532 -1.6752 11.6019 hc 2 APT 0.0540
1598 He5 19.8339 -2.1929 12.9279 hc 2 APT 0.0540
1599 He6 19.5618 -4.0025 12.5858 hc 2 APT 0.0540
1600 He7 17.5847 -2.1610 14.0890 hn 2 APT -0.3200
1601 He8 18.6900 -3.3877 14.8381 hn 2 APT -0.3200
1602 O21 19.4251 -1.6333 7.9916 os 2 APT -0.4440
1603 O22 17.5033 -3.5886 8.3659 os 2 APT -0.4440
1604 C65 20.3009 -2.6977 8.6081 c3 2 APT 0.1300
1605 C66 17.9030 -4.2473 9.6602 c3 2 APT 0.1300
1606 He9 21.2484 -2.8508 7.9953 h1 2 APT 0.0400
1607 Hea 20.5594 -2.2714 9.6229 h1 2 APT 0.0400
1608 Heb 19.8554 -3.7229 8.8289 h1 2 APT 0.0400
1609 Hec 17.4626 -5.2848 9.7997 h1 2 APT 0.0400
1610 Hed 17.2788 -3.5923 10.3355 h1 2 APT 0.0400
1611 Hee 19.0153 -4.4178 9.8420 h1 2 APT 0.0400
1612 C67 22.9182 -5.2108 8.5104 c3 2 APT 0.5210
1613 C68 23.2234 -5.1299 10.0944 c3 2 APT 0.2280
1614 C69 22.4578 -5.1206 11.4736 c3 2 APT 0.2280
1615 C6a 23.2936 -5.4567 12.7353 c3 2 APT 0.4210
1616 N12 22.3671 -5.5786 13.9312 n 2 APT -0.2600
1617 Hef 23.7884 -4.1428 10.1864 hc 2 APT 0.0540
1618 Hf0 24.0088 -5.9375 10.2793 hc 2 APT 0.0540
1619 Hf1 21.6980 -5.9677 11.5153 hc 2 APT 0.0540
1620 Hf2 21.9006 -4.1350 11.6038 hc 2 APT 0.0540
1621 Hf3 24.0822 -4.6567 12.9257 hc 2 APT 0.0540
1622 Hf4 23.8045 -6.4658 12.5854 hc 2 APT 0.0540
1623 Hf5 21.8383 -4.6165 14.0948 hn 2 APT -0.3200
1624 Hf6 22.9478 -5.8417 14.8405 hn 2 APT -0.3200
1625 O23 23.6966 -4.0977 7.9808 os 2 APT -0.4440
1626 O24 21.7575 -6.0418 8.3568 os 2 APT -0.4440
1627 C6b 24.5615 -5.1602 8.6153 c3 2 APT 0.1300
1628 C6c 22.1551 -6.7004 9.6522 c3 2 APT 0.1300
1629 Hf7 25.5160 -5.3177 8.0146 h1 2 APT 0.0400
1630 Hf8 24.8116 -4.7298 9.6311 h1 2 APT 0.0400
1631 Hf9 24.1103 -6.1834 8.8330 h1 2 APT 0.0400
1632 Hfa 21.7170 -7.7390 9.7922 h1 2 APT 0.0400
1633 Hfb 21.5295 -6.0464 10.3274 h1 2 APT 0.0400
1634 Hfc 23.2671 -6.8698 9.8350 h1 2 APT 0.0400
1635 C6d 27.1709 -7.6661 8.5117 c3 2 APT 0.5210
1636 C6e 27.4817 -7.5840 10.0952 c3 2 APT 0.2280
1637 C6f 26.7193 -7.5776 11.4766 c3 2 APT 0.2280
1638 C70 27.5598 -7.9149 12.7346 c3 2 APT 0.4210
1639 N13 26.6328 -8.0386 13.9297 n 2 APT -0.2600
1640 Hfd 28.0460 -6.5963 10.1859 hc 2 APT 0.0540
1641 Hfe 28.2685 -8.3907 10.2775 hc 2 APT 0.0540
1642 Hff 25.9602 -8.4256 11.5173 hc 2 APT 0.0540
1643 H100 26.1607 -6.5932 11.6094 hc 2 APT 0.0540
1644 H101 28.3484 -7.1146 12.9243 hc 2 APT 0.0540
1645 H102 28.0712 -8.9236 12.5834 hc 2 APT 0.0540
1646 H103 26.0994 -7.0788 14.0913 hn 2 APT -0.3200
1647 H104 27.2114 -8.2995 14.8409 hn 2 APT -0.3200
1648 O25 27.9444 -6.5482 7.9838 os 2 APT -0.4440
1649 O26 26.0156 -8.5048 8.3577 os 2 APT -0.4440
1650 C71 28.8141 -7.6131 8.6077 c3 2 APT 0.1300
1651 C72 26.4119 -9.1548 9.6574 c3 2 APT 0.1300
1652 H105 29.7641 -7.7719 8.0000 h1 2 APT 0.0400
1653 H106 29.0685 -7.1829 9.6220 h1 2 APT 0.0400
1654 H107 28.3635 -8.6355 8.8306 h1 2 APT 0.0400
1655 H108 25.9684 -10.1903 9.8027 h1 2 APT 0.0400
1656 H109 25.7885 -8.4929 10.3272 h1 2 APT 0.0400
1657 H10a 27.5240 -9.3255 9.8401 h1 2 APT 0.0400
1658 C73 31.4304 -10.1307 8.5136 c3 2 APT 0.5210
1659 C74 31.7392 -10.0473 10.0963 c3 2 APT 0.2280
1660 C75 30.9742 -10.0341 11.4747 c3 2 APT 0.2280
1661 C76 31.8144 -10.3658 12.7336 c3 2 APT 0.4210
1662 N14 30.8839 -10.4853 13.9254 n 2 APT -0.2600
1663 H10b 32.3037 -9.0596 10.1874 hc 2 APT 0.0540
1664 H10c 32.5240 -10.8557 10.2806 hc 2 APT 0.0540
1665 H10d 30.2161 -10.8826 11.5207 hc 2 APT 0.0540
1666 H10e 30.4155 -9.0489 11.6015 hc 2 APT 0.0540
1667 H10f 32.6030 -9.5655 12.9229 hc 2 APT 0.0540
1668 H110 32.3244 -11.3756 12.5861 hc 2 APT 0.0540
1669 H111 30.3560 -9.5225 14.0875 hn 2 APT -0.3200
1670 H112 31.4580 -10.7527 14.8375 hn 2 APT -0.3200
1671 O27 32.1946 -9.0026 7.9958 os 2 APT -0.4440
1672 O28 30.2614 -10.9508 8.3658 os 2 APT -0.4440
1673 C77 33.0668 -10.0695 8.6138 c3 2 APT 0.1300
1674 C78 30.6593 -11.6127 9.6593 c3 2 APT 0.1300
1675 H113 34.0149 -10.2259 8.0027 h1 2 APT 0.0400
1676 H114 33.3258 -9.6466 9.6303 h1 2 APT 0.0400
1677 H115 32.6166 -11.0937 8.8295 h1 2 APT 0.0400
1678 H116 30.2145 -12.6486 9.7980 h1 2 APT 0.0400
1679 H117 30.0368 -10.9557 10.3344 h1 2 APT 0.0400
1680 H118 31.7709 -11.7871 9.8415 h1 2 APT 0.0400
1681 C79 35.6795 -12.5772 8.5098 c3 2 APT 0.5210
1682 C7a 35.9902 -12.4957 10.0927 c3 2 APT 0.2280
1683 C7b 35.2245 -12.4862 11.4718 c3 2 APT 0.2280
1684 C7c 36.0644 -12.8202 12.7310 c3 2 APT 0.4210
1685 N15 35.1378 -12.9527 13.9252 n 2 APT -0.2600
1686 H119 36.5514 -11.5064 10.1843 hc 2 APT 0.0540
1687 H11a 36.7777 -13.3017 10.2756 hc 2 APT 0.0540
1688 H11b 34.4678 -13.3361 11.5150 hc 2 APT 0.0540
1689 H11c 34.6632 -11.5027 11.6014 hc 2 APT 0.0540
1690 H11d 36.8495 -12.0173 12.9241 hc 2 APT 0.0540
1691 H11e 36.5799 -13.8263 12.5780 hc 2 APT 0.0540
1692 H11f 34.6059 -11.9933 14.0941 hn 2 APT -0.3200
1693 H120 35.7163 -13.2200 14.8346 hn 2 APT -0.3200
1694 O29 36.4547 -11.4608 7.9795 os 2 APT -0.4440
1695 O2a 34.5250 -13.4173 8.3567 os 2 APT -0.4440
1696 C7d 37.3336 -12.5106 8.6096 c3 2 APT 0.1300
1697 C7e 34.9204 -14.0701 9.6554 c3 2 APT 0.1300
1698 H121 38.2888 -12.6579 8.0080 h1 2 APT 0.0400
1699 H122 37.5773 -12.0806 9.6274 h1 2 APT 0.0400
1700 H123 36.8877 -13.5374 8.8231 h1 2 APT 0.0400
1701 H124 34.4797 -15.1077 9.7957 h1 2 APT 0.0400
1702 H125 34.2943 -13.4130 10.3274 h1 2 APT 0.0400
1703 H126 36.0324 -14.2378 9.8403 h1 2 APT 0.0400
1704 C7f 40.0138 -15.0257 8.5093 c3 2 APT 0.5210
1705 C80 40.3286 -14.9526 10.0861 c3 2 APT 0.2280
1706 C81 39.5207 -14.9352 11.4527 c3 2 APT 0.2280
1707 C82 40.3280 -15.2728 12.7329 c3 2 APT 0.4210
1708 N16 39.3949 -15.4046 13.9235 n 2 APT -0.2600
1709 H127 40.9257 -13.9866 10.1801 hc 2 APT 0.0540
1710 H128 41.0882 -15.7847 10.2543 hc 2 APT 0.0540
1711 H129 38.7562 -15.7784 11.4979 hc 2 APT 0.0540
1712 H12a 38.9619 -13.9488 11.5744 hc 2 APT 0.0540
1713 H12b 41.1138 -14.4732 12.9352 hc 2 APT 0.0540
1714 H12c 40.8416 -16.2809 12.5872 hc 2 APT 0.0540
1715 H12d 38.8648 -14.4442 14.0918 hn 2 APT -0.3200
1716 H12e 39.9721 -15.6723 14.8338 hn 2 APT -0.3200
1717 O2b 40.8433 -13.8837 8.0791 os 2 APT -0.4440
1718 O2c 38.8230 -15.8439 8.3664 os 2 APT -0.4440
1719 C83 42.0249 -14.6334 8.6479 c3 2 APT 0.1300
1720 C84 39.1827 -16.5168 9.6632 c3 2 APT 0.1300
1721 H12f 42.7914 -14.8019 7.8246 h1 2 APT 0.0400
1722 H130 42.4818 -14.0564 9.5177 h1 2 APT 0.0400
1723 H131 41.6922 -15.6656 9.0062 h1 2 APT 0.0400
1724 H132 38.7291 -17.5499 9.7935 h1 2 APT 0.0400
1725 H133 38.5541 -15.8513 10.3242 h1 2 APT 0.0400
1726 H134 40.2866 -16.6989 9.8748 h1 2 APT 0.0400
1727 C85 1.4961 11.8997 8.5040 c3 2 APT 0.5210
1728 C86 1.9149 11.9644 10.0613 c3 2 APT 0.2280
1729 C87 1.1835 12.0391 11.4539 c3 2 APT 0.2280
1730 C88 2.0237 11.7268 12.7224 c3 2 APT 0.4210
1731 N17 1.1020 11.6139 13.9241 n 2 APT -0.2600
1732 H135 2.5268 12.9252 10.1483 hc 2 APT 0.0540
1733 H136 2.6204 11.0801 10.2099 hc 2 APT 0.0540
1734 H137 0.4002 11.2151 11.5015 hc 2 APT 0.0540
1735 H138 0.6566 13.0437 11.5691 hc 2 APT 0.0540
1736 H139 2.8119 12.5303 12.9026 hc 2 APT 0.0540
1737 H13a 2.5377 10.7176 12.5871 hc 2 APT 0.0540
1738 H13b 0.5712 12.5755 14.0831 hn 2 APT -0.3200
1739 H13c 1.6824 11.3561 14.8352 hn 2 APT -0.3200
1740 O2d 2.3381 13.0087 8.0196 os 2 APT -0.4440
1741 O2e 0.3263 11.0156 8.3280 os 2 APT -0.4440
1742 C89 3.2793 11.9951 8.6194 c3 2 APT 0.1300
1743 C8a 0.4608 10.4633 9.7054 c3 2 APT 0.1300
1744 H13d 4.2215 11.8848 7.9895 h1 2 APT 0.0400
1745 H13e 3.5350 12.4113 9.6397 h1 2 APT 0.0400
1746 H13f 2.8706 10.9501 8.8170 h1 2 APT 0.0400
1747 H140 -0.2096 9.5606 9.8608 h1 2 APT 0.0400
1748 H141 0.0273 11.3199 10.3086 h1 2 APT 0.0400
1749 H142 1.5371 10.1754 9.9620 h1 2 APT 0.0400
1750 C8b 5.9061 9.5179 8.5152 c3 2 APT 0.5210
1751 C8c 6.2094 9.6064 10.0995 c3 2 APT 0.2280
1752 C8d 5.4378 9.6179 11.4751 c3 2 APT 0.2280
1753 C8e 6.2758 9.2881 12.7367 c3 2 APT 0.4210
1754 N18 5.3509 9.1562 13.9326 n 2 APT -0.2600
1755 H143 6.7713 10.5954 10.1907 hc 2 APT 0.0540
1756 H144 6.9967 8.8009 10.2856 hc 2 APT 0.0540
1757 H145 4.6808 8.7680 11.5154 hc 2 APT 0.0540
1758 H146 4.8763 10.6016 11.6012 hc 2 APT 0.0540
1759 H147 7.0594 10.0931 12.9269 hc 2 APT 0.0540
1760 H148 6.7940 8.2830 12.5850 hc 2 APT 0.0540
1761 H149 4.8171 10.1146 14.1013 hn 2 APT -0.3200
1762 H14a 5.9332 8.8914 14.8403 hn 2 APT -0.3200
1763 O2f 6.6602 10.6464 7.9835 os 2 APT -0.4440
1764 O30 4.7422 8.6933 8.3539 os 2 APT -0.4440
1765 C8f 7.5358 9.5862 8.6074 c3 2 APT 0.1300
1766 C90 5.1409 8.0373 9.6500 c3 2 APT 0.1300
1767 H14b 8.4854 9.4301 7.9983 h1 2 APT 0.0400
1768 H14c 7.7896 10.0205 9.6201 h1 2 APT 0.0400
1769 H14d 7.0919 8.5615 8.8333 h1 2 APT 0.0400
1770 H14e 4.7021 6.9991 9.7901 h1 2 APT 0.0400
1771 H14f 4.5161 8.6923 10.3249 h1 2 APT 0.0400
1772 H150 6.2535 7.8683 9.8314 h1 2 APT 0.0400
1773 C91 10.1593 7.0698 8.5124 c3 2 APT 0.5210
1774 C92 10.4602 7.1504 10.0960 c3 2 APT 0.2280
1775 C93 9.6942 7.1595 11.4738 c3 2 APT 0.2280
1776 C94 10.5351 6.8293 12.7328 c3 2 APT 0.4210
1777 N19 9.6125 6.7025 13.9305 n 2 APT -0.2600
1778 H151 11.0214 8.1397 10.1878 hc 2 APT 0.0540
1779 H152 11.2482 6.3455 10.2820 hc 2 APT 0.0540
1780 H153 8.9380 6.3088 11.5149 hc 2 APT 0.0540
1781 H154 9.1335 8.1433 11.6019 hc 2 APT 0.0540
1782 H155 11.3193 7.6341 12.9211 hc 2 APT 0.0540
1783 H156 11.0518 5.8232 12.5829 hc 2 APT 0.0540
1784 H157 9.0789 7.6616 14.0964 hn 2 APT -0.3200
1785 H158 10.1946 6.4403 14.8391 hn 2 APT -0.3200
1786 O31 10.9206 8.1968 7.9935 os 2 APT -0.4440
1787 O32 8.9993 6.2466 8.3534 os 2 APT -0.4440
1788 C95 11.7882 7.1282 8.6159 c3 2 APT 0.1300
1789 C96 9.3988 5.5884 9.6494 c3 2 APT 0.1300
1790 H159 12.7369 6.9704 8.0062 h1 2 APT 0.0400
1791 H15a 12.0468 7.5524 9.6322 h1 2 APT 0.0400
1792 H15b 11.3383 6.1038 8.8308 h1 2 APT 0.0400
1793 H15c 8.9546 4.5521 9.7883 h1 2 APT 0.0400
1794 H15d 8.7698 6.2407 10.3237 h1 2 APT 0.0400
1795 H15e 10.5093 5.4122 9.8353 h1 2 APT 0.0400
1796 C97 14.4212 4.6089 8.5117 c3 2 APT 0.5210
1797 C98 14.7192 4.6918 10.0964 c3 2 APT 0.2280
1798 C99 13.9529 4.7075 11.4749 c3 2 APT 0.2280
1799 C9a 14.7900 4.3714 12.7359 c3 2 APT 0.4210
1800 N1a 13.8615 4.2439 13.9291 n 2 APT -0.2600
1801 H15f 15.2829 5.6798 10.1865 hc 2 APT 0.0540
1802 H160 15.5053 3.8855 10.2839 hc 2 APT 0.0540
1803 H161 13.1921 3.8612 11.5155 hc 2 APT 0.0540
1804 H162 13.3966 5.6940 11.6023 hc 2 APT 0.0540
1805 H163 15.5759 5.1737 12.9286 hc 2 APT 0.0540
1806 H164 15.3046 3.3642 12.5859 hc 2 APT 0.0540
1807 H165 13.3272 5.2031 14.0917 hn 2 APT -0.3200
1808 H166 14.4405 3.9827 14.8398 hn 2 APT -0.3200
1809 O33 15.1835 5.7343 7.9875 os 2 APT -0.4440
1810 O34 13.2647 3.7788 8.3525 os 2 APT -0.4440
1811 C9b 16.0491 4.6649 8.6102 c3 2 APT 0.1300
1812 C9c 13.6536 3.1268 9.6543 c3 2 APT 0.1300
1813 H167 17.0009 4.5067 8.0051 h1 2 APT 0.0400
1814 H168 16.3028 5.0945 9.6248 h1 2 APT 0.0400
1815 H169 15.5985 3.6423 8.8326 h1 2 APT 0.0400
1816 H16a 13.2040 2.0928 9.7934 h1 2 APT 0.0400
1817 H16b 13.0268 3.7857 10.3243 h1 2 APT 0.0400
1818 H16c 14.7631 2.9498 9.8454 h1 2 APT 0.0400
1819 C9d 18.6696 2.1576 8.5127 c3 2 APT 0.5210
1820 C9e 18.9727 2.2388 10.0965 c3 2 APT 0.2280
1821 C9f 18.2049 2.2510 11.4733 c3 2 APT 0.2280
1822 Ca0 19.0444 1.9169 12.7326 c3 2 APT 0.4210
1823 N1b 18.1178 1.7892 13.9273 n 2 APT -0.2600
1824 H16d 19.5379 3.2258 10.1886 hc 2 APT 0.0540
1825 H16e 19.7576 1.4310 10.2832 hc 2 APT 0.0540
1826 H16f 17.4469 1.4020 11.5142 hc 2 APT 0.0540
1827 H170 17.6456 3.2357 11.6009 hc 2 APT 0.0540
1828 H171 19.8322 2.7175 12.9245 hc 2 APT 0.0540
1829 H172 19.5568 0.9088 12.5814 hc 2 APT 0.0540
1830 H173 17.5870 2.7495 14.0954 hn 2 APT -0.3200
1831 H174 18.6971 1.5213 14.8359 hn 2 APT -0.3200
1832 O35 19.4418 3.2768 7.9910 os 2 APT -0.4440
1833 O36 17.5112 1.3302 8.3505 os 2 APT -0.4440
1834 Ca1 20.3063 2.2088 8.6174 c3 2 APT 0.1300
1835 Ca2 17.9091 0.6748 9.6480 c3 2 APT 0.1300
1836 H175 21.2573 2.0497 8.0114 h1 2 APT 0.0400
1837 H176 20.5612 2.6347 9.6337 h1 2 APT 0.0400
1838 H177 19.8545 1.1860 8.8349 h1 2 APT 0.0400
1839 H178 17.4653 -0.3615 9.7882 h1 2 APT 0.0400
1840 H179 17.2824 1.3282 10.3232 h1 2 APT 0.0400
1841 H17a 19.0204 0.4998 9.8298 h1 2 APT 0.0400
1842 Ca3 22.9289 -0.2983 8.5145 c3 2 APT 0.5210
1843 Ca4 23.2282 -0.2158 10.0988 c3 2 APT 0.2280
1844 Ca5 22.4616 -0.2065 11.4769 c3 2 APT 0.2280
1845 Ca6 23.3037 -0.5364 12.7357 c3 2 APT 0.4210
1846 N1c 22.3771 -0.6583 13.9307 n 2 APT -0.2600
1847 H17b 23.7914 0.7723 10.1910 hc 2 APT 0.0540
1848 H17c 24.0149 -1.0219 10.2844 hc 2 APT 0.0540
1849 H17d 21.7043 -1.0560 11.5211 hc 2 APT 0.0540
1850 H17e 21.9016 0.7776 11.6056 hc 2 APT 0.0540
1851 H17f 24.0901 0.2661 12.9245 hc 2 APT 0.0540
1852 H180 23.8174 -1.5444 12.5877 hc 2 APT 0.0540
1853 H181 21.8473 0.3033 14.0938 hn 2 APT -0.3200
1854 H182 22.9544 -0.9238 14.8413 hn 2 APT -0.3200
1855 O37 23.6896 0.8263 7.9864 os 2 APT -0.4440
1856 O38 21.7652 -1.1196 8.3626 os 2 APT -0.4440
1857 Ca7 24.5578 -0.2400 8.6108 c3 2 APT 0.1300
1858 Ca8 22.1632 -1.7859 9.6550 c3 2 APT 0.1300
1859 H183 25.5078 -0.3994 8.0033 h1 2 APT 0.0400
1860 H184 24.8128 0.1898 9.6254 h1 2 APT 0.0400
1861 H185 24.1071 -1.2629 8.8312 h1 2 APT 0.0400
1862 H186 21.7172 -2.8226 9.7864 h1 2 APT 0.0400
1863 H187 21.5357 -1.1363 10.3329 h1 2 APT 0.0400
1864 H188 23.2743 -1.9578 9.8403 h1 2 APT 0.0400
1865 Ca9 27.1903 -2.7657 8.5159 c3 2 APT 0.5210
1866 Caa 27.4874 -2.6795 10.1010 c3 2 APT 0.2280
1867 Cab 26.7198 -2.6660 11.4789 c3 2 APT 0.2280
1868 Cac 27.5566 -2.9970 12.7407 c3 2 APT 0.4210
1869 N1d 26.6254 -3.1270 13.9318 n 2 APT -0.2600
1870 H189 28.0489 -1.6903 10.1921 hc 2 APT 0.0540
1871 H18a 28.2751 -3.4845 10.2869 hc 2 APT 0.0540
1872 H18b 25.9628 -3.5157 11.5220 hc 2 APT 0.0540
1873 H18c 26.1591 -1.6818 11.6047 hc 2 APT 0.0540
1874 H18d 28.3405 -2.1930 12.9340 hc 2 APT 0.0540
1875 H18e 28.0730 -4.0032 12.5906 hc 2 APT 0.0540
1876 H18f 26.0934 -2.1671 14.0976 hn 2 APT -0.3200
1877 H190 27.2022 -3.3933 14.8425 hn 2 APT -0.3200
1878 O39 27.9406 -1.6377 7.9810 os 2 APT -0.4440
1879 O3a 26.0221 -3.5786 8.3611 os 2 APT -0.4440
1880 Cad 28.8141 -2.6981 8.6071 c3 2 APT 0.1300
1881 Cae 26.4165 -4.2392 9.6576 c3 2 APT 0.1300
1882 H191 29.7652 -2.8533 8.0004 h1 2 APT 0.0400
1883 H192 29.0671 -2.2646 9.6204 h1 2 APT 0.0400
1884 H193 28.3672 -3.7225 8.8289 h1 2 APT 0.0400
1885 H194 25.9702 -5.2750 9.7936 h1 2 APT 0.0400
1886 H195 25.7891 -3.5867 10.3331 h1 2 APT 0.0400
1887 H196 27.5267 -4.4175 9.8441 h1 2 APT 0.0400
1888 Caf 31.4374 -5.2089 8.5144 c3 2 APT 0.5210
1889 Cb0 31.7393 -5.1274 10.0979 c3 2 APT 0.2280
1890 Cb1 30.9721 -5.1187 11.4751 c3 2 APT 0.2280
1891 Cb2 31.8126 -5.4545 12.7326 c3 2 APT 0.4210
1892 N1e 30.8824 -5.5817 13.9241 n 2 APT -0.2600
1893 H197 32.3022 -4.1391 10.1906 hc 2 APT 0.0540
1894 H198 32.5261 -5.9335 10.2825 hc 2 APT 0.0540
1895 H199 30.2128 -5.9664 11.5176 hc 2 APT 0.0540
1896 H19a 30.4145 -4.1334 11.6053 hc 2 APT 0.0540
1897 H19b 32.5996 -4.6531 12.9239 hc 2 APT 0.0540
1898 H19c 32.3253 -6.4625 12.5820 hc 2 APT 0.0540
1899 H19d 30.3500 -4.6216 14.0873 hn 2 APT -0.3200
1900 H19e 31.4587 -5.8456 14.8359 hn 2 APT -0.3200
1901 O3b 32.2040 -4.0913 7.9811 os 2 APT -0.4440
1902 O3c 30.2834 -6.0426 8.3601 os 2 APT -0.4440
1903 Cb3 33.0696 -5.1552 8.6116 c3 2 APT 0.1300
1904 Cb4 30.6746 -6.6995 9.6588 c3 2 APT 0.1300
1905 H19f 34.0214 -5.3157 8.0074 h1 2 APT 0.0400
1906 H1a0 33.3231 -4.7241 9.6261 h1 2 APT 0.0400
1907 H1a1 32.6173 -6.1778 8.8301 h1 2 APT 0.0400
1908 H1a2 30.2263 -7.7348 9.7931 h1 2 APT 0.0400
1909 H1a3 30.0447 -6.0441 10.3290 h1 2 APT 0.0400
1910 H1a4 31.7845 -6.8718 9.8509 h1 2 APT 0.0400
1911 Cb5 35.6930 -7.6683 8.5092 c3 2 APT 0.5210
1912 Cb6 35.9942 -7.5885 10.0930 c3 2 APT 0.2280
1913 Cb7 35.2242 -7.5737 11.4703 c3 2 APT 0.2280
1914 Cb8 36.0589 -7.9096 12.7326 c3 2 APT 0.4210
1915 N1f 35.1311 -8.0360 13.9268 n 2 APT -0.2600
1916 H1a5 36.5567 -6.6002 10.1866 hc 2 APT 0.0540
1917 H1a6 36.7817 -8.3942 10.2767 hc 2 APT 0.0540
1918 H1a7 34.4621 -8.4187 11.5158 hc 2 APT 0.0540
1919 H1a8 34.6689 -6.5866 11.5971 hc 2 APT 0.0540
1920 H1a9 36.8472 -7.1100 12.9258 hc 2 APT 0.0540
1921 H1aa 36.5705 -8.9183 12.5822 hc 2 APT 0.0540
1922 H1ab 34.6021 -7.0748 14.0951 hn 2 APT -0.3200
1923 H1ac 35.7096 -8.3046 14.8358 hn 2 APT -0.3200
1924 O3d 36.4544 -6.5437 7.9796 os 2 APT -0.4440
1925 O3e 34.5346 -8.4972 8.3604 os 2 APT -0.4440
1926 Cb9 37.3352 -7.5963 8.6046 c3 2 APT 0.1300
1927 Cba 34.9295 -9.1574 9.6564 c3 2 APT 0.1300
1928 H1ad 38.2896 -7.7424 8.0012 h1 2 APT 0.0400
1929 H1ae 37.5782 -7.1666 9.6221 h1 2 APT 0.0400
1930 H1af 36.8923 -8.6238 8.8209 h1 2 APT 0.0400
1931 H1b0 34.4837 -10.1940 9.7883 h1 2 APT 0.0400
1932 H1b1 34.2979 -8.5072 10.3298 h1 2 APT 0.0400
1933 H1b2 36.0392 -9.3316 9.8478 h1 2 APT 0.0400
1934 Cbb 40.0230 -10.1206 8.5094 c3 2 APT 0.5210
1935 Cbc 40.3313 -10.0430 10.0868 c3 2 APT 0.2280
1936 Cbd 39.5171 -10.0273 11.4492 c3 2 APT 0.2280
1937 Cbe 40.3197 -10.3623 12.7323 c3 2 APT 0.4210
1938 N20 39.3855 -10.4898 13.9223 n 2 APT -0.2600
1939 H1b3 40.9266 -9.0761 10.1835 hc 2 APT 0.0540
1940 H1b4 41.0909 -10.8743 10.2583 hc 2 APT 0.0540
1941 H1b5 38.7547 -10.8725 11.4933 hc 2 APT 0.0540
1942 H1b6 38.9560 -9.0419 11.5673 hc 2 APT 0.0540
1943 H1b7 41.1069 -9.5638 12.9334 hc 2 APT 0.0540
1944 H1b8 40.8313 -11.3717 12.5894 hc 2 APT 0.0540
1945 H1b9 38.8537 -9.5300 14.0895 hn 2 APT -0.3200
1946 H1ba 39.9623 -10.7560 14.8332 hn 2 APT -0.3200
1947 O3f 40.8362 -8.9661 8.0875 os 2 APT -0.4440
1948 O40 38.8197 -10.9150 8.3650 os 2 APT -0.4440
1949 Cbf 42.0223 -9.7119 8.6521 c3 2 APT 0.1300
1950 Cc0 39.1886 -11.6041 9.6527 c3 2 APT 0.1300
1951 H1bb 42.7873 -9.8739 7.8262 h1 2 APT 0.0400
1952 H1bc 42.4790 -9.1367 9.5233 h1 2 APT 0.0400
1953 H1bd 41.6958 -10.7477 9.0060 h1 2 APT 0.0400
1954 H1be 38.7341 -12.6377 9.7787 h1 2 APT 0.0400
1955 H1bf 38.5586 -10.9476 10.3206 h1 2 APT 0.0400
1956 H1c0 40.2936 -11.7868 9.8577 h1 2 APT 0.0400
1957 Cc1 1.4963 16.8121 8.5003 c3 2 APT 0.5210
1958 Cc2 1.9125 16.8823 10.0582 c3 2 APT 0.2280
1959 Cc3 1.1823 16.9507 11.4527 c3 2 APT 0.2280
1960 Cc4 2.0207 16.6430 12.7242 c3 2 APT 0.4210
1961 N21 1.1014 16.5275 13.9277 n 2 APT -0.2600
1962 H1c1 2.5215 17.8449 10.1442 hc 2 APT 0.0540
1963 H1c2 2.6219 16.0011 10.2054 hc 2 APT 0.0540
1964 H1c3 0.4031 16.1227 11.4986 hc 2 APT 0.0540
1965 H1c4 0.6492 17.9520 11.5669 hc 2 APT 0.0540
1966 H1c5 2.8091 17.4465 12.9036 hc 2 APT 0.0540
1967 H1c6 2.5354 15.6341 12.5900 hc 2 APT 0.0540
1968 H1c7 0.5743 17.4900 14.0939 hn 2 APT -0.3200
1969 H1c8 1.6842 16.2629 14.8353 hn 2 APT -0.3200
1970 O41 2.3350 17.9211 8.0096 os 2 APT -0.4440
1971 O42 0.3206 15.9357 8.3231 os 2 APT -0.4440
1972 Cc5 3.2827 16.9165 8.6135 c3 2 APT 0.1300
1973 Cc6 0.4574 15.3832 9.7008 c3 2 APT 0.1300
1974 H1c9 4.2273 16.8097 7.9864 h1 2 APT 0.0400
1975 H1ca 3.5327 17.3389 9.6326 h1 2 APT 0.0400
1976 H1cb 2.8795 15.8704 8.8164 h1 2 APT 0.0400
1977 H1cc -0.2112 14.4796 9.8581 h1 2 APT 0.0400
1978 H1cd 0.0241 16.2391 10.3055 h1 2 APT 0.0400
1979 H1ce 1.5338 15.0959 9.9580 h1 2 APT 0.0400
1980 Cc7 5.8932 14.4381 8.5129 c3 2 APT 0.5210
1981 Cc8 6.2075 14.5204 10.0951 c3 2 APT 0.2280
1982 Cc9 5.4428 14.5303 11.4743 c3 2 APT 0.2280
1983 Cca 6.2799 14.1956 12.7354 c3 2 APT 0.4210
1984 N22 5.3514 14.0696 13.9286 n 2 APT -0.2600
1985 H1cf 6.7734 15.5073 10.1847 hc 2 APT 0.0540
1986 H1d0 6.9924 13.7121 10.2796 hc 2 APT 0.0540
1987 H1d1 4.6839 13.6824 11.5169 hc 2 APT 0.0540
1988 H1d2 4.8846 15.5155 11.6030 hc 2 APT 0.0540
1989 H1d3 7.0664 14.9972 12.9280 hc 2 APT 0.0540
1990 H1d4 6.7933 13.1879 12.5852 hc 2 APT 0.0540
1991 H1d5 4.8237 15.0321 14.0932 hn 2 APT -0.3200
1992 H1d6 5.9306 13.8050 14.8384 hn 2 APT -0.3200
1993 O43 6.6743 15.5540 7.9932 os 2 APT -0.4440
1994 O44 4.7364 13.6007 8.3587 os 2 APT -0.4440
1995 Ccb 7.5425 14.4882 8.6186 c3 2 APT 0.1300
1996 Ccc 5.1361 12.9481 9.6557 c3 2 APT 0.1300
1997 H1d7 8.4925 14.3285 8.0112 h1 2 APT 0.0400
1998 H1d8 7.7995 14.9123 9.6355 h1 2 APT 0.0400
1999 H1d9 7.0879 13.4657 8.8321 h1 2 APT 0.0400
2000 H1da 4.6988 11.9096 9.7980 h1 2 APT 0.0400
2001 H1db 4.5118 13.6049 10.3295 h1 2 APT 0.0400
2002 H1dc 6.2486 12.7802 9.8373 h1 2 APT 0.0400
2003 Ccd 10.1605 11.9810 8.5131 c3 2 APT 0.5210
2004 Cce 10.4601 12.0636 10.0975 c3 2 APT 0.2280
2005 Ccf 9.6939 12.0767 11.4760 c3 2 APT 0.2280
2006 Cd0 10.5322 11.7384 12.7351 c3 2 APT 0.4210
2007 N23 9.6027 11.6171 13.9279 n 2 APT -0.2600
2008 H1dd 11.0233 13.0518 10.1887 hc 2 APT 0.0540
2009 H1de 11.2466 11.2574 10.2838 hc 2 APT 0.0540
2010 H1df 8.9323 11.2311 11.5174 hc 2 APT 0.0540
2011 H1e0 9.1382 13.0632 11.6055 hc 2 APT 0.0540
2012 H1e1 11.3226 12.5364 12.9269 hc 2 APT 0.0540
2013 H1e2 11.0413 10.7284 12.5852 hc 2 APT 0.0540
2014 H1e3 9.0785 12.5816 14.0920 hn 2 APT -0.3200
2015 H1e4 10.1800 11.3497 14.8379 hn 2 APT -0.3200
2016 O45 10.9242 13.1043 7.9878 os 2 APT -0.4440
2017 O46 8.9983 11.1602 8.3555 os 2 APT -0.4440
2018 Cd1 11.7911 12.0390 8.6161 c3 2 APT 0.1300
2019 Cd2 9.3947 10.5009 9.6521 c3 2 APT 0.1300
2020 H1e5 12.7411 11.8785 8.0089 h1 2 APT 0.0400
2021 H1e6 12.0472 12.4670 9.6313 h1 2 APT 0.0400
2022 H1e7 11.3391 11.0159 8.8328 h1 2 APT 0.0400
2023 H1e8 8.9463 9.4660 9.7878 h1 2 APT 0.0400
2024 H1e9 8.7680 11.1546 10.3270 h1 2 APT 0.0400
2025 H1ea 10.5047 10.3234 9.8394 h1 2 APT 0.0400
2026 Cd3 14.4176 9.5213 8.5143 c3 2 APT 0.5210
2027 Cd4 14.7200 9.6054 10.0983 c3 2 APT 0.2280
2028 Cd5 13.9533 9.6161 11.4765 c3 2 APT 0.2280
2029 Cd6 14.7905 9.2819 12.7368 c3 2 APT 0.4210
2030 N24 13.8573 9.1560 13.9262 n 2 APT -0.2600
2031 H1eb 15.2826 10.5940 10.1896 hc 2 APT 0.0540
2032 H1ec 15.5070 8.7994 10.2831 hc 2 APT 0.0540
2033 H1ed 13.1950 8.7675 11.5175 hc 2 APT 0.0540
2034 H1ee 13.3937 10.6005 11.6053 hc 2 APT 0.0540
2035 H1ef 15.5764 10.0840 12.9299 hc 2 APT 0.0540
2036 H1f0 15.3039 8.2740 12.5874 hc 2 APT 0.0540
2037 H1f1 13.3261 10.1171 14.0875 hn 2 APT -0.3200
2038 H1f2 14.4339 8.8942 14.8383 hn 2 APT -0.3200
2039 O47 15.1723 10.6504 7.9876 os 2 APT -0.4440
2040 O48 13.2566 8.6975 8.3561 os 2 APT -0.4440
2041 Cd7 16.0454 9.5869 8.6102 c3 2 APT 0.1300
2042 Cd8 13.6511 8.0430 9.6551 c3 2 APT 0.1300
2043 H1f3 16.9941 9.4292 8.0003 h1 2 APT 0.0400
2044 H1f4 16.3026 10.0155 9.6248 h1 2 APT 0.0400
2045 H1f5 15.5983 8.5624 8.8300 h1 2 APT 0.0400
2046 H1f6 13.2036 7.0081 9.7943 h1 2 APT 0.0400
2047 H1f7 13.0243 8.6997 10.3272 h1 2 APT 0.0400
2048 H1f8 14.7619 7.8662 9.8386 h1 2 APT 0.0400
2049 Cd9 18.6733 7.0635 8.5125 c3 2 APT 0.5210
2050 Cda 18.9709 7.1496 10.0969 c3 2 APT 0.2280
2051 Cdb 18.2040 7.1658 11.4756 c3 2 APT 0.2280
2052 Cdc 19.0420 6.8330 12.7367 c3 2 APT 0.4210
2053 N25 18.1173 6.7094 13.9334 n 2 APT -0.2600
2054 H1f9 19.5327 8.1388 10.1853 hc 2 APT 0.0540
2055 H1fa 19.7587 6.3451 10.2851 hc 2 APT 0.0540
2056 H1fb 17.4442 6.3185 11.5193 hc 2 APT 0.0540
2057 H1fc 17.6458 8.1514 11.6015 hc 2 APT 0.0540
2058 H1fd 19.8307 7.6333 12.9260 hc 2 APT 0.0540
2059 H1fe 19.5537 5.8244 12.5870 hc 2 APT 0.0540
2060 H1ff 17.5884 7.6711 14.0992 hn 2 APT -0.3200
2061 H200 18.6966 6.4427 14.8424 hn 2 APT -0.3200
2062 O49 19.4335 8.1903 7.9887 os 2 APT -0.4440
2063 O4a 17.5117 6.2407 8.3587 os 2 APT -0.4440
2064 Cdd 20.3045 7.1263 8.6121 c3 2 APT 0.1300
2065 Cde 17.9045 5.5870 9.6583 c3 2 APT 0.1300
2066 H201 21.2549 6.9706 8.0043 h1 2 APT 0.0400
2067 H202 20.5592 7.5522 9.6287 h1 2 APT 0.0400
2068 H203 19.8540 6.1025 8.8279 h1 2 APT 0.0400
2069 H204 17.4568 4.5522 9.7978 h1 2 APT 0.0400
2070 H205 17.2766 6.2439 10.3291 h1 2 APT 0.0400
2071 H206 19.0149 5.4098 9.8439 h1 2 APT 0.0400
2072 Cdf 22.9240 4.6157 8.5148 c3 2 APT 0.5210
2073 Ce0 23.2267 4.6996 10.0986 c3 2 APT 0.2280
2074 Ce1 22.4597 4.7101 11.4760 c3 2 APT 0.2280
2075 Ce2 23.3000 4.3725 12.7338 c3 2 APT 0.4210
2076 N26 22.3732 4.2495 13.9287 n 2 APT -0.2600
2077 H207 23.7914 5.6869 10.1901 hc 2 APT 0.0540
2078 H208 24.0123 3.8927 10.2856 hc 2 APT 0.0540
2079 H209 21.7007 3.8621 11.5179 hc 2 APT 0.0540
2080 H20a 21.9019 5.6953 11.6061 hc 2 APT 0.0540
2081 H20b 24.0882 5.1726 12.9253 hc 2 APT 0.0540
2082 H20c 23.8117 3.3640 12.5822 hc 2 APT 0.0540
2083 H20d 21.8457 5.2122 14.0925 hn 2 APT -0.3200
2084 H20e 22.9515 3.9847 14.8389 hn 2 APT -0.3200
2085 O4b 23.6889 5.7366 7.9856 os 2 APT -0.4440
2086 O4c 21.7712 3.7804 8.3569 os 2 APT -0.4440
2087 Ce3 24.5533 4.6697 8.6156 c3 2 APT 0.1300
2088 Ce4 22.1637 3.1296 9.6583 c3 2 APT 0.1300
2089 H20f 25.5026 4.5044 8.0087 h1 2 APT 0.0400
2090 H210 24.8115 5.1024 9.6282 h1 2 APT 0.0400
2091 H211 24.1011 3.6480 8.8390 h1 2 APT 0.0400
2092 H212 21.7193 2.0933 9.7976 h1 2 APT 0.0400
2093 H213 21.5342 3.7861 10.3281 h1 2 APT 0.0400
2094 H214 23.2742 2.9571 9.8458 h1 2 APT 0.0400
2095 Ce5 27.1802 2.1584 8.5160 c3 2 APT 0.5210
2096 Ce6 27.4831 2.2383 10.0994 c3 2 APT 0.2280
2097 Ce7 26.7132 2.2532 11.4755 c3 2 APT 0.2280
2098 Ce8 27.5511 1.9164 12.7351 c3 2 APT 0.4210
2099 N27 26.6245 1.7955 13.9300 n 2 APT -0.2600
2100 H215 28.0504 3.2241 10.1915 hc 2 APT 0.0540
2101 H216 28.2666 1.4293 10.2861 hc 2 APT 0.0540
2102 H217 25.9522 1.4069 11.5161 hc 2 APT 0.0540
2103 H218 26.1571 3.2399 11.6031 hc 2 APT 0.0540
2104 H219 28.3401 2.7160 12.9256 hc 2 APT 0.0540
2105 H21a 28.0616 0.9070 12.5855 hc 2 APT 0.0540
2106 H21b 26.0965 2.7580 14.0935 hn 2 APT -0.3200
2107 H21c 27.2031 1.5293 14.8396 hn 2 APT -0.3200
2108 O4d 27.9468 3.2795 7.9922 os 2 APT -0.4440
2109 O4e 26.0249 1.3285 8.3552 os 2 APT -0.4440
2110 Ce9 28.8129 2.2094 8.6137 c3 2 APT 0.1300
2111 Cea 26.4195 0.6714 9.6529 c3 2 APT 0.1300
2112 H21d 29.7633 2.0538 8.0059 h1 2 APT 0.0400
2113 H21e 29.0689 2.6358 9.6293 h1 2 APT 0.0400
2114 H21f 28.3637 1.1858 8.8344 h1 2 APT 0.0400
2115 H220 25.9698 -0.3626 9.7924 h1 2 APT 0.0400
2116 H221 25.7936 1.3284 10.3250 h1 2 APT 0.0400
2117 H222 27.5303 0.4962 9.8369 h1 2 APT 0.0400
2118 Ceb 31.4456 -0.3055 8.5136 c3 2 APT 0.5210
2119 Cec 31.7425 -0.2181 10.0981 c3 2 APT 0.2280
2120 Ced 30.9732 -0.2061 11.4744 c3 2 APT 0.2280
2121 Cee 31.8136 -0.5401 12.7327 c3 2 APT 0.4210
2122 N28 30.8873 -0.6672 13.9271 n 2 APT -0.2600
2123 H223 32.3071 0.7694 10.1892 hc 2 APT 0.0540
2124 H224 32.5277 -1.0252 10.2858 hc 2 APT 0.0540
2125 H225 30.2159 -1.0556 11.5160 hc 2 APT 0.0540
2126 H226 30.4134 0.7782 11.6032 hc 2 APT 0.0540
2127 H227 32.6001 0.2617 12.9243 hc 2 APT 0.0540
2128 H228 32.3267 -1.5478 12.5814 hc 2 APT 0.0540
2129 H229 30.3554 0.2927 14.0930 hn 2 APT -0.3200
2130 H22a 31.4678 -0.9317 14.8359 hn 2 APT -0.3200
2131 O4f 32.1986 0.8212 7.9809 os 2 APT -0.4440
2132 O50 30.2790 -1.1203 8.3550 os 2 APT -0.4440
2133 Cef 33.0667 -0.2451 8.6065 c3 2 APT 0.1300
2134 Cf0 30.6731 -1.7817 9.6507 c3 2 APT 0.1300
2135 H22b 34.0170 -0.4038 7.9994 h1 2 APT 0.0400
2136 H22c 33.3237 0.1851 9.6200 h1 2 APT 0.0400
2137 H22d 32.6162 -1.2677 8.8291 h1 2 APT 0.0400
2138 H22e 30.2244 -2.8166 9.7861 h1 2 APT 0.0400
2139 H22f 30.0472 -1.1276 10.3258 h1 2 APT 0.0400
2140 H230 31.7836 -1.9583 9.8363 h1 2 APT 0.0400
2141 Cf1 35.6934 -2.7519 8.5145 c3 2 APT 0.5210
2142 Cf2 35.9948 -2.6734 10.0986 c3 2 APT 0.2280
2143 Cf3 35.2246 -2.6625 11.4750 c3 2 APT 0.2280
2144 Cf4 36.0642 -2.9959 12.7339 c3 2 APT 0.4210
2145 N29 35.1359 -3.1250 13.9271 n 2 APT -0.2600
2146 H231 36.5564 -1.6847 10.1928 hc 2 APT 0.0540
2147 H232 36.7827 -3.4789 10.2813 hc 2 APT 0.0540
2148 H233 34.4660 -3.5110 11.5156 hc 2 APT 0.0540
2149 H234 34.6658 -1.6775 11.6041 hc 2 APT 0.0540
2150 H235 36.8502 -2.1934 12.9250 hc 2 APT 0.0540
2151 H236 36.5783 -4.0030 12.5818 hc 2 APT 0.0540
2152 H237 34.6036 -2.1655 14.0940 hn 2 APT -0.3200
2153 H238 35.7132 -3.3921 14.8372 hn 2 APT -0.3200
2154 O51 36.4527 -1.6280 7.9807 os 2 APT -0.4440
2155 O52 34.5391 -3.5847 8.3529 os 2 APT -0.4440
2156 Cf5 37.3337 -2.6819 8.6024 c3 2 APT 0.1300
2157 Cf6 34.9283 -4.2374 9.6542 c3 2 APT 0.1300
2158 H239 38.2891 -2.8275 8.0006 h1 2 APT 0.0400
2159 H23a 37.5760 -2.2515 9.6196 h1 2 APT 0.0400
2160 H23b 36.8896 -3.7087 8.8199 h1 2 APT 0.0400
2161 H23c 34.4805 -5.2724 9.7912 h1 2 APT 0.0400
2162 H23d 34.2983 -3.5813 10.3242 h1 2 APT 0.0400
2163 H23e 36.0377 -4.4140 9.8457 h1 2 APT 0.0400
2164 Cf7 40.0272 -5.2131 8.5075 c3 2 APT 0.5210
2165 Cf8 40.3283 -5.1317 10.0863 c3 2 APT 0.2280
2166 Cf9 39.5161 -5.1089 11.4510 c3 2 APT 0.2280
2167 Cfa 40.3199 -5.4480 12.7332 c3 2 APT 0.4210
2168 N2a 39.3895 -5.5705 13.9266 n 2 APT -0.2600
2169 H23f 40.9257 -4.1658 10.1794 hc 2 APT 0.0540
2170 H240 41.0875 -5.9627 10.2607 hc 2 APT 0.0540
2171 H241 38.7491 -5.9496 11.4989 hc 2 APT 0.0540
2172 H242 38.9594 -4.1209 11.5690 hc 2 APT 0.0540
2173 H243 41.1100 -4.6522 12.9332 hc 2 APT 0.0540
2174 H244 40.8281 -6.4591 12.5894 hc 2 APT 0.0540
2175 H245 38.8645 -4.6072 14.0950 hn 2 APT -0.3200
2176 H246 39.9672 -5.8412 14.8357 hn 2 APT -0.3200
2177 O53 40.8343 -4.0569 8.0778 os 2 APT -0.4440
2178 O54 38.8218 -6.0039 8.3698 os 2 APT -0.4440
2179 Cfb 42.0225 -4.7989 8.6434 c3 2 APT 0.1300
2180 Cfc 39.1875 -6.6905 9.6602 c3 2 APT 0.1300
2181 H247 42.7851 -4.9680 7.8166 h1 2 APT 0.0400
2182 H248 42.4813 -4.2177 9.5094 h1 2 APT 0.0400
2183 H249 41.6967 -5.8316 9.0066 h1 2 APT 0.0400
2184 H24a 38.7310 -7.7236 9.7825 h1 2 APT 0.0400
2185 H24b 38.5550 -6.0354 10.3273 h1 2 APT 0.0400
2186 H24c 40.2906 -6.8772 9.8719 h1 2 APT 0.0400
2187 Cfd 1.4951 21.7285 8.5028 c3 2 APT 0.5210
2188 Cfe 1.9133 21.7939 10.0600 c3 2 APT 0.2280
2189 Cff 1.1847 21.8615 11.4542 c3 2 APT 0.2280
2190 C100 2.0265 21.5576 12.7236 c3 2 APT 0.4210
2191 N2b 1.1023 21.4507 13.9233 n 2 APT -0.2600
2192 H24d 2.5217 22.7569 10.1468 hc 2 APT 0.0540
2193 H24e 2.6231 20.9127 10.2056 hc 2 APT 0.0540
2194 H24f 0.4059 21.0330 11.5001 hc 2 APT 0.0540
2195 H250 0.6522 22.8631 11.5681 hc 2 APT 0.0540
2196 H251 2.8155 22.3608 12.9017 hc 2 APT 0.0540
2197 H252 2.5391 20.5470 12.5934 hc 2 APT 0.0540
2198 H253 0.5746 22.4141 14.0820 hn 2 APT -0.3200
2199 H254 1.6791 21.1889 14.8354 hn 2 APT -0.3200
2200 O55 2.3299 22.8429 8.0178 os 2 APT -0.4440
2201 O56 0.3224 20.8493 8.3216 os 2 APT -0.4440
2202 C101 3.2763 21.8309 8.6123 c3 2 APT 0.1300
2203 C102 0.4586 20.2973 9.6994 c3 2 APT 0.1300
2204 H255 4.2157 21.7184 7.9786 h1 2 APT 0.0400
2205 H256 3.5310 22.2501 9.6311 h1 2 APT 0.0400
2206 H257 2.8699 20.7860 8.8148 h1 2 APT 0.0400
2207 H258 -0.2114 19.3946 9.8554 h1 2 APT 0.0400
2208 H259 0.0266 21.1531 10.3052 h1 2 APT 0.0400
2209 H25a 1.5349 20.0079 9.9550 h1 2 APT 0.0400
2210 C103 5.9080 19.3450 8.5138 c3 2 APT 0.5210
2211 C104 6.2122 19.4342 10.0975 c3 2 APT 0.2280
2212 C105 5.4454 19.4477 11.4755 c3 2 APT 0.2280
2213 C106 6.2830 19.1125 12.7355 c3 2 APT 0.4210
2214 N2c 5.3525 18.9909 13.9275 n 2 APT -0.2600
2215 H25b 6.7761 20.4224 10.1860 hc 2 APT 0.0540
2216 H25c 6.9979 18.6275 10.2851 hc 2 APT 0.0540
2217 H25d 4.6860 18.6002 11.5206 hc 2 APT 0.0540
2218 H25e 4.8875 20.4332 11.6033 hc 2 APT 0.0540
2219 H25f 7.0727 19.9115 12.9260 hc 2 APT 0.0540
2220 H260 6.7924 18.1026 12.5863 hc 2 APT 0.0540
2221 H261 4.8283 19.9552 14.0928 hn 2 APT -0.3200
2222 H262 5.9281 18.7204 14.8378 hn 2 APT -0.3200
2223 O57 6.6734 20.4679 7.9876 os 2 APT -0.4440
2224 O58 4.7371 18.5283 8.3646 os 2 APT -0.4440
2225 C107 7.5423 19.4023 8.6116 c3 2 APT 0.1300
2226 C108 5.1382 17.8660 9.6572 c3 2 APT 0.1300
2227 H263 8.4919 19.2434 8.0033 h1 2 APT 0.0400
2228 H264 7.7975 19.8329 9.6255 h1 2 APT 0.0400
2229 H265 7.0909 18.3800 8.8336 h1 2 APT 0.0400
2230 H266 4.6969 16.8288 9.7963 h1 2 APT 0.0400
2231 H267 4.5149 18.5199 10.3342 h1 2 APT 0.0400
2232 H268 6.2506 17.6947 9.8382 h1 2 APT 0.0400
2233 C109 10.1591 16.8992 8.5140 c3 2 APT 0.5210
2234 C10a 10.4632 16.9787 10.0972 c3 2 APT 0.2280
2235 C10b 9.6949 16.9930 11.4739 c3 2 APT 0.2280
2236 C10c 10.5348 16.6552 12.7318 c3 2 APT 0.4210
2237 N2d 9.6092 16.5279 13.9270 n 2 APT -0.2600
2238 H269 11.0263 17.9667 10.1898 hc 2 APT 0.0540
2239 H26a 11.2501 16.1727 10.2832 hc 2 APT 0.0540
2240 H26b 8.9337 16.1470 11.5173 hc 2 APT 0.0540
2241 H26c 9.1397 17.9799 11.6026 hc 2 APT 0.0540
2242 H26d 11.3244 17.4540 12.9234 hc 2 APT 0.0540
2243 H26e 11.0447 15.6461 12.5791 hc 2 APT 0.0540
2244 H26f 9.0824 17.4901 14.0959 hn 2 APT -0.3200
2245 H270 10.1895 16.2580 14.8344 hn 2 APT -0.3200
2246 O59 10.9232 18.0225 7.9890 os 2 APT -0.4440
2247 O5a 9.0126 16.0559 8.3570 os 2 APT -0.4440
2248 C10d 11.7908 16.9572 8.6159 c3 2 APT 0.1300
2249 C10e 9.4037 15.4079 9.6599 c3 2 APT 0.1300
2250 H271 12.7404 16.7976 8.0081 h1 2 APT 0.0400
2251 H272 12.0493 17.3839 9.6313 h1 2 APT 0.0400
2252 H273 11.3410 15.9332 8.8335 h1 2 APT 0.0400
2253 H274 8.9591 14.3715 9.7960 h1 2 APT 0.0400
2254 H275 8.7713 16.0630 10.3282 h1 2 APT 0.0400
2255 H276 10.5132 15.2348 9.8531 h1 2 APT 0.0400
2256 C10f 14.4162 14.4393 8.5141 c3 2 APT 0.5210
2257 C110 14.7184 14.5240 10.0975 c3 2 APT 0.2280
2258 C111 13.9495 14.5362 11.4741 c3 2 APT 0.2280
2259 C112 14.7919 14.2050 12.7320 c3 2 APT 0.4210
2260 N2e 13.8622 14.0758 13.9236 n 2 APT -0.2600
2261 H277 15.2836 15.5111 10.1887 hc 2 APT 0.0540
2262 H278 15.5041 13.7174 10.2841 hc 2 APT 0.0540
2263 H279 13.1925 13.6865 11.5180 hc 2 APT 0.0540
2264 H27a 13.3890 15.5203 11.6013 hc 2 APT 0.0540
2265 H27b 15.5770 15.0082 12.9241 hc 2 APT 0.0540
2266 H27c 15.3068 13.1981 12.5812 hc 2 APT 0.0540
2267 H27d 13.3307 15.0359 14.0901 hn 2 APT -0.3200
2268 H27e 14.4385 13.8072 14.8339 hn 2 APT -0.3200
2269 O5b 15.1826 15.5604 7.9873 os 2 APT -0.4440
2270 O5c 13.2599 13.6076 8.3612 os 2 APT -0.4440
2271 C113 16.0512 14.4944 8.6100 c3 2 APT 0.1300
2272 C114 13.6534 12.9522 9.6596 c3 2 APT 0.1300
2273 H27f 17.0015 14.3378 8.0024 h1 2 APT 0.0400
2274 H280 16.3050 14.9213 9.6258 h1 2 APT 0.0400
2275 H281 15.5995 13.4717 8.8287 h1 2 APT 0.0400
2276 H282 13.2060 11.9170 9.7966 h1 2 APT 0.0400
2277 H283 13.0240 13.6086 10.3293 h1 2 APT 0.0400
2278 H284 14.7640 12.7803 9.8483 h1 2 APT 0.0400
2279 C115 18.6738 11.9794 8.5105 c3 2 APT 0.5210
2280 C116 18.9705 12.0618 10.0953 c3 2 APT 0.2280
2281 C117 18.2054 12.0730 11.4741 c3 2 APT 0.2280
2282 C118 19.0468 11.7387 12.7321 c3 2 APT 0.4210
2283 N2f 18.1228 11.6199 13.9296 n 2 APT -0.2600
2284 H285 19.5323 13.0507 10.1863 hc 2 APT 0.0540
2285 H286 19.7581 11.2570 10.2825 hc 2 APT 0.0540
2286 H287 17.4466 11.2248 11.5160 hc 2 APT 0.0540
2287 H288 17.6469 13.0580 11.6030 hc 2 APT 0.0540
2288 H289 19.8362 12.5386 12.9197 hc 2 APT 0.0540
2289 H28a 19.5574 10.7292 12.5831 hc 2 APT 0.0540
2290 H28b 17.5950 12.5824 14.0938 hn 2 APT -0.3200
2291 H28c 18.7028 11.3548 14.8387 hn 2 APT -0.3200
2292 O5d 19.4393 13.0998 7.9818 os 2 APT -0.4440
2293 O5e 17.5145 11.1547 8.3512 os 2 APT -0.4440
2294 C119 20.3039 12.0342 8.6122 c3 2 APT 0.1300
2295 C11a 17.9082 10.4983 9.6498 c3 2 APT 0.1300
2296 H28d 21.2566 11.8740 8.0093 h1 2 APT 0.0400
2297 H28e 20.5567 12.4632 9.6279 h1 2 APT 0.0400
2298 H28f 19.8510 11.0120 8.8304 h1 2 APT 0.0400
2299 H290 17.4603 9.4632 9.7865 h1 2 APT 0.0400
2300 H291 17.2806 11.1517 10.3244 h1 2 APT 0.0400
2301 H292 19.0185 10.3215 9.8362 h1 2 APT 0.0400
2302 C11b 22.9315 9.5248 8.5130 c3 2 APT 0.5210
2303 C11c 23.2293 9.6079 10.0971 c3 2 APT 0.2280
2304 C11d 22.4616 9.6185 11.4744 c3 2 APT 0.2280
2305 C11e 23.3004 9.2881 12.7355 c3 2 APT 0.4210
2306 N30 22.3703 9.1627 13.9277 n 2 APT -0.2600
2307 H293 23.7913 10.5967 10.1891 hc 2 APT 0.0540
2308 H294 24.0162 8.8024 10.2839 hc 2 APT 0.0540
2309 H295 21.7040 8.7694 11.5186 hc 2 APT 0.0540
2310 H296 21.9017 10.6029 11.6012 hc 2 APT 0.0540
2311 H297 24.0876 10.0895 12.9264 hc 2 APT 0.0540
2312 H298 23.8132 8.2798 12.5873 hc 2 APT 0.0540
2313 H299 21.8441 10.1255 14.0954 hn 2 APT -0.3200
2314 H29a 22.9476 8.8924 14.8369 hn 2 APT -0.3200
2315 O5f 23.6847 10.6569 7.9919 os 2 APT -0.4440
2316 O60 21.7700 8.7017 8.3619 os 2 APT -0.4440
2317 C11f 24.5525 9.5875 8.6131 c3 2 APT 0.1300
2318 C120 22.1668 8.0358 9.6547 c3 2 APT 0.1300
2319 H29b 25.4996 9.4274 8.0014 h1 2 APT 0.0400
2320 H29c 24.8143 10.0131 9.6279 h1 2 APT 0.0400
2321 H29d 24.1032 8.5638 8.8331 h1 2 APT 0.0400
2322 H29e 21.7209 6.9991 9.7857 h1 2 APT 0.0400
2323 H29f 21.5378 8.6851 10.3312 h1 2 APT 0.0400
2324 H2a0 23.2777 7.8647 9.8426 h1 2 APT 0.0400
2325 C121 27.1750 7.0709 8.5153 c3 2 APT 0.5210
2326 C122 27.4843 7.1526 10.0975 c3 2 APT 0.2280
2327 C123 26.7172 7.1644 11.4749 c3 2 APT 0.2280
2328 C124 27.5559 6.8340 12.7356 c3 2 APT 0.4210
2329 N31 26.6276 6.7049 13.9290 n 2 APT -0.2600
2330 H2a1 28.0474 8.1409 10.1879 hc 2 APT 0.0540
2331 H2a2 28.2713 6.3462 10.2807 hc 2 APT 0.0540
2332 H2a3 25.9602 6.3145 11.5155 hc 2 APT 0.0540
2333 H2a4 26.1565 8.1484 11.6024 hc 2 APT 0.0540
2334 H2a5 28.3398 7.6383 12.9277 hc 2 APT 0.0540
2335 H2a6 28.0728 5.8281 12.5851 hc 2 APT 0.0540
2336 H2a7 26.0929 7.6634 14.0948 hn 2 APT -0.3200
2337 H2a8 27.2057 6.4404 14.8394 hn 2 APT -0.3200
2338 O61 27.9415 8.1876 7.9813 os 2 APT -0.4440
2339 O62 26.0277 6.2298 8.3513 os 2 APT -0.4440
2340 C125 28.8132 7.1252 8.6071 c3 2 APT 0.1300
2341 C126 26.4177 5.5840 9.6554 c3 2 APT 0.1300
2342 H2a9 29.7647 6.9691 8.0010 h1 2 APT 0.0400
2343 H2aa 29.0667 7.5581 9.6205 h1 2 APT 0.0400
2344 H2ab 28.3656 6.1013 8.8298 h1 2 APT 0.0400
2345 H2ac 25.9682 4.5504 9.7984 h1 2 APT 0.0400
2346 H2ad 25.7912 6.2454 10.3235 h1 2 APT 0.0400
2347 H2ae 27.5282 5.4101 9.8428 h1 2 APT 0.0400
2348 C127 31.4336 4.6118 8.5131 c3 2 APT 0.5210
2349 C128 31.7375 4.6951 10.0967 c3 2 APT 0.2280
2350 C129 30.9705 4.7064 11.4746 c3 2 APT 0.2280
2351 C12a 31.8096 4.3695 12.7332 c3 2 APT 0.4210
2352 N32 30.8780 4.2443 13.9240 n 2 APT -0.2600
2353 H2af 32.3011 5.6829 10.1888 hc 2 APT 0.0540
2354 H2b0 32.5242 3.8887 10.2813 hc 2 APT 0.0540
2355 H2b1 30.2101 3.8596 11.5176 hc 2 APT 0.0540
2356 H2b2 30.4142 5.6925 11.6050 hc 2 APT 0.0540
2357 H2b3 32.5975 5.1697 12.9264 hc 2 APT 0.0540
2358 H2b4 32.3215 3.3611 12.5824 hc 2 APT 0.0540
2359 H2b5 30.3505 5.2069 14.0883 hn 2 APT -0.3200
2360 H2b6 31.4539 3.9772 14.8350 hn 2 APT -0.3200
2361 O63 32.1923 5.7380 7.9870 os 2 APT -0.4440
2362 O64 30.2691 3.7927 8.3588 os 2 APT -0.4440
2363 C12b 33.0654 4.6742 8.6092 c3 2 APT 0.1300
2364 C12c 30.6708 3.1306 9.6523 c3 2 APT 0.1300
2365 H2b7 34.0152 4.5189 8.0004 h1 2 APT 0.0400
2366 H2b8 33.3211 5.1037 9.6236 h1 2 APT 0.0400
2367 H2b9 32.6205 3.6492 8.8320 h1 2 APT 0.0400
2368 H2ba 30.2268 2.0938 9.7889 h1 2 APT 0.0400
2369 H2bb 30.0436 3.7810 10.3296 h1 2 APT 0.0400
2370 H2bc 31.7820 2.9560 9.8348 h1 2 APT 0.0400
2371 C12d 35.6878 2.1589 8.5117 c3 2 APT 0.5210
2372 C12e 35.9909 2.2403 10.0951 c3 2 APT 0.2280
2373 C12f 35.2235 2.2509 11.4732 c3 2 APT 0.2280
2374 C130 36.0662 1.9186 12.7304 c3 2 APT 0.4210
2375 N33 35.1371 1.7974 13.9231 n 2 APT -0.2600
2376 H2bd 36.5524 3.2292 10.1875 hc 2 APT 0.0540
2377 H2be 36.7791 1.4354 10.2786 hc 2 APT 0.0540
2378 H2bf 34.4652 1.4023 11.5175 hc 2 APT 0.0540
2379 H2c0 34.6642 3.2353 11.6029 hc 2 APT 0.0540
2380 H2c1 36.8535 2.7202 12.9203 hc 2 APT 0.0540
2381 H2c2 36.5778 0.9098 12.5809 hc 2 APT 0.0540
2382 H2c3 34.6073 2.7592 14.0851 hn 2 APT -0.3200
2383 H2c4 35.7142 1.5334 14.8342 hn 2 APT -0.3200
2384 O65 36.4540 3.2830 7.9877 os 2 APT -0.4440
2385 O66 34.5293 1.3298 8.3601 os 2 APT -0.4440
2386 C131 37.3361 2.2302 8.6090 c3 2 APT 0.1300
2387 C132 34.9274 0.6708 9.6553 c3 2 APT 0.1300
2388 H2c5 38.2877 2.0816 8.0018 h1 2 APT 0.0400
2389 H2c6 37.5799 2.6591 9.6269 h1 2 APT 0.0400
2390 H2c7 36.8904 1.2036 8.8233 h1 2 APT 0.0400
2391 H2c8 34.4805 -0.3651 9.7890 h1 2 APT 0.0400
2392 H2c9 34.2983 1.3234 10.3288 h1 2 APT 0.0400
2393 H2ca 36.0381 0.4979 9.8426 h1 2 APT 0.0400
2394 C133 40.0282 -0.2954 8.5054 c3 2 APT 0.5210
2395 C134 40.3347 -0.2173 10.0827 c3 2 APT 0.2280
2396 C135 39.5239 -0.2004 11.4471 c3 2 APT 0.2280
2397 C136 40.3280 -0.5412 12.7281 c3 2 APT 0.4210
2398 N34 39.3946 -0.6662 13.9191 n 2 APT -0.2600
2399 H2cb 40.9320 0.7483 10.1787 hc 2 APT 0.0540
2400 H2cc 41.0923 -1.0505 10.2531 hc 2 APT 0.0540
2401 H2cd 38.7594 -1.0434 11.4932 hc 2 APT 0.0540
2402 H2ce 38.9656 0.7864 11.5678 hc 2 APT 0.0540
2403 H2cf 41.1184 0.2538 12.9300 hc 2 APT 0.0540
2404 H2d0 40.8356 -1.5522 12.5822 hc 2 APT 0.0540
2405 H2d1 38.8655 0.2951 14.0859 hn 2 APT -0.3200
2406 H2d2 39.9710 -0.9337 14.8300 hn 2 APT -0.3200
2407 O67 40.8413 0.8569 8.0756 os 2 APT -0.4440
2408 O68 38.8212 -1.0848 8.3675 os 2 APT -0.4440
2409 C137 42.0272 0.1117 8.6412 c3 2 APT 0.1300
2410 C138 39.1856 -1.7755 9.6557 c3 2 APT 0.1300
2411 H2d3 42.7916 -0.0543 7.8154 h1 2 APT 0.0400
2412 H2d4 42.4840 0.6903 9.5100 h1 2 APT 0.0400
2413 H2d5 41.6998 -0.9216 9.0010 h1 2 APT 0.0400
2414 H2d6 38.7291 -2.8088 9.7773 h1 2 APT 0.0400
2415 H2d7 38.5546 -1.1190 10.3230 h1 2 APT 0.0400
2416 H2d8 40.2890 -1.9621 9.8659 h1 2 APT 0.0400
2417 C139 1.5017 26.6395 8.4977 c3 2 APT 0.5210
2418 C13a 1.9166 26.7072 10.0557 c3 2 APT 0.2280
2419 C13b 1.1862 26.7744 11.4495 c3 2 APT 0.2280
2420 C13c 2.0199 26.4665 12.7238 c3 2 APT 0.4210
2421 N35 1.0945 26.3536 13.9227 n 2 APT -0.2600
2422 H2d9 2.5252 27.6701 10.1433 hc 2 APT 0.0540
2423 H2da 2.6253 25.8255 10.2031 hc 2 APT 0.0540
2424 H2db 0.4060 25.9472 11.4924 hc 2 APT 0.0540
2425 H2dc 0.6546 27.7764 11.5638 hc 2 APT 0.0540
2426 H2dd 2.8073 27.2700 12.9070 hc 2 APT 0.0540
2427 H2de 2.5348 25.4572 12.5933 hc 2 APT 0.0540
2428 H2df 0.5646 27.3154 14.0838 hn 2 APT -0.3200
2429 H2e0 1.6719 26.0911 14.8343 hn 2 APT -0.3200
2430 O69 2.3380 27.7518 8.0106 os 2 APT -0.4440
2431 O6a 0.3327 25.7559 8.3156 os 2 APT -0.4440
2432 C13d 3.2827 26.7425 8.6115 c3 2 APT 0.1300
2433 C13e 0.4614 25.2101 9.6962 c3 2 APT 0.1300
2434 H2e1 4.2255 26.6345 7.9821 h1 2 APT 0.0400
2435 H2e2 3.5358 27.1620 9.6310 h1 2 APT 0.0400
2436 H2e3 2.8776 25.6969 8.8136 h1 2 APT 0.0400
2437 H2e4 -0.2114 24.3095 9.8523 h1 2 APT 0.0400
2438 H2e5 0.0283 26.0690 10.2969 h1 2 APT 0.0400
2439 H2e6 1.5356 24.9198 9.9597 h1 2 APT 0.0400
2440 C13f 5.8978 24.2658 8.5134 c3 2 APT 0.5210
2441 C140 6.2102 24.3462 10.0961 c3 2 APT 0.2280
2442 C141 5.4444 24.3592 11.4750 c3 2 APT 0.2280
2443 C142 6.2837 24.0296 12.7359 c3 2 APT 0.4210
2444 N36 5.3556 23.8988 13.9287 n 2 APT -0.2600
2445 H2e7 6.7768 25.3325 10.1868 hc 2 APT 0.0540
2446 H2e8 6.9944 23.5368 10.2789 hc 2 APT 0.0540
2447 H2e9 4.6863 23.5102 11.5159 hc 2 APT 0.0540
2448 H2ea 4.8842 25.3435 11.6017 hc 2 APT 0.0540
2449 H2eb 7.0677 24.8338 12.9284 hc 2 APT 0.0540
2450 H2ec 6.8000 23.0234 12.5861 hc 2 APT 0.0540
2451 H2ed 4.8228 24.8581 14.0953 hn 2 APT -0.3200
2452 H2ee 5.9339 23.6332 14.8386 hn 2 APT -0.3200
2453 O6b 6.6683 25.3831 7.9815 os 2 APT -0.4440
2454 O6c 4.7476 23.4218 8.3514 os 2 APT -0.4440
2455 C143 7.5379 24.3191 8.6079 c3 2 APT 0.1300
2456 C144 5.1331 22.7813 9.6585 c3 2 APT 0.1300
2457 H2ef 8.4873 24.1578 7.9999 h1 2 APT 0.0400
2458 H2f0 7.7945 24.7512 9.6208 h1 2 APT 0.0400
2459 H2f1 7.0884 23.2968 8.8337 h1 2 APT 0.0400
2460 H2f2 4.6885 21.7467 9.8066 h1 2 APT 0.0400
2461 H2f3 4.5096 23.4486 10.3237 h1 2 APT 0.0400
2462 H2f4 6.2439 22.6060 9.8441 h1 2 APT 0.0400
2463 C145 10.1583 21.8134 8.5149 c3 2 APT 0.5210
2464 C146 10.4664 21.8915 10.0971 c3 2 APT 0.2280
2465 C147 9.6973 21.9033 11.4737 c3 2 APT 0.2280
2466 C148 10.5351 21.5656 12.7329 c3 2 APT 0.4210
2467 N37 9.6076 21.4477 13.9277 n 2 APT -0.2600
2468 H2f5 11.0340 22.8771 10.1888 hc 2 APT 0.0540
2469 H2f6 11.2513 21.0831 10.2804 hc 2 APT 0.0540
2470 H2f7 8.9353 21.0580 11.5153 hc 2 APT 0.0540
2471 H2f8 9.1426 22.8903 11.6031 hc 2 APT 0.0540
2472 H2f9 11.3265 22.3632 12.9223 hc 2 APT 0.0540
2473 H2fa 11.0426 20.5547 12.5836 hc 2 APT 0.0540
2474 H2fb 9.0815 22.4113 14.0913 hn 2 APT -0.3200
2475 H2fc 10.1846 21.1802 14.8379 hn 2 APT -0.3200
2476 O6d 10.9327 22.9277 7.9876 os 2 APT -0.4440
2477 O6e 9.0101 20.9721 8.3562 os 2 APT -0.4440
2478 C149 11.8001 21.8591 8.6091 c3 2 APT 0.1300
2479 C14a 9.4010 20.3209 9.6580 c3 2 APT 0.1300
2480 H2fd 12.7517 21.7042 8.0030 h1 2 APT 0.0400
2481 H2fe 12.0536 22.2852 9.6255 h1 2 APT 0.0400
2482 H2ff 11.3499 20.8359 8.8297 h1 2 APT 0.0400
2483 H300 8.9529 19.2861 9.7972 h1 2 APT 0.0400
2484 H301 8.7711 20.9786 10.3260 h1 2 APT 0.0400
2485 H302 10.5105 20.1471 9.8499 h1 2 APT 0.0400
2486 C14b 14.4192 19.3549 8.5126 c3 2 APT 0.5210
2487 C14c 14.7200 19.4343 10.0968 c3 2 APT 0.2280
2488 C14d 13.9499 19.4476 11.4731 c3 2 APT 0.2280
2489 C14e 14.7903 19.1189 12.7336 c3 2 APT 0.4210
2490 N38 13.8632 18.9891 13.9274 n 2 APT -0.2600
2491 H303 15.2855 20.4209 10.1894 hc 2 APT 0.0540
2492 H304 15.5049 18.6267 10.2831 hc 2 APT 0.0540
2493 H305 13.1921 18.5985 11.5159 hc 2 APT 0.0540
2494 H306 13.3892 20.4319 11.5983 hc 2 APT 0.0540
2495 H307 15.5751 19.9226 12.9249 hc 2 APT 0.0540
2496 H308 15.3066 18.1125 12.5841 hc 2 APT 0.0540
2497 H309 13.3283 19.9473 14.0943 hn 2 APT -0.3200
2498 H30a 14.4426 18.7241 14.8369 hn 2 APT -0.3200
2499 O6f 15.1865 20.4735 7.9817 os 2 APT -0.4440
2500 O70 13.2625 18.5258 8.3529 os 2 APT -0.4440
2501 C14f 16.0530 19.4075 8.6091 c3 2 APT 0.1300
2502 C150 13.6559 17.8687 9.6510 c3 2 APT 0.1300
2503 H30b 17.0054 19.2484 8.0053 h1 2 APT 0.0400
2504 H30c 16.3063 19.8374 9.6240 h1 2 APT 0.0400
2505 H30d 15.6017 18.3851 8.8308 h1 2 APT 0.0400
2506 H30e 13.2098 16.8325 9.7834 h1 2 APT 0.0400
2507 H30f 13.0264 18.5203 10.3255 h1 2 APT 0.0400
2508 H310 14.7654 17.6927 9.8419 h1 2 APT 0.0400
2509 C151 18.6774 16.8955 8.5158 c3 2 APT 0.5210
2510 C152 18.9770 16.9770 10.1004 c3 2 APT 0.2280
2511 C153 18.2077 16.9895 11.4771 c3 2 APT 0.2280
2512 C154 19.0471 16.6569 12.7367 c3 2 APT 0.4210
2513 N39 18.1181 16.5367 13.9302 n 2 APT -0.2600
2514 H311 19.5411 17.9646 10.1926 hc 2 APT 0.0540
2515 H312 19.7631 16.1703 10.2865 hc 2 APT 0.0540
2516 H313 17.4477 16.1422 11.5193 hc 2 APT 0.0540
2517 H314 17.6498 17.9751 11.6037 hc 2 APT 0.0540
2518 H315 19.8358 17.4574 12.9252 hc 2 APT 0.0540
2519 H316 19.5581 15.6476 12.5882 hc 2 APT 0.0540
2520 H317 17.5905 17.4993 14.0949 hn 2 APT -0.3200
2521 H318 18.6932 16.2671 14.8410 hn 2 APT -0.3200
2522 O71 19.4416 18.0160 7.9839 os 2 APT -0.4440
2523 O72 17.5195 16.0675 8.3589 os 2 APT -0.4440
2524 C155 20.3076 16.9506 8.6119 c3 2 APT 0.1300
2525 C156 17.9088 15.4125 9.6588 c3 2 APT 0.1300
2526 H319 21.2599 16.7944 8.0073 h1 2 APT 0.0400
2527 H31a 20.5609 17.3790 9.6277 h1 2 APT 0.0400
2528 H31b 19.8544 15.9279 8.8278 h1 2 APT 0.0400
2529 H31c 17.4603 14.3777 9.7957 h1 2 APT 0.0400
2530 H31d 17.2797 16.0692 10.3288 h1 2 APT 0.0400
2531 H31e 19.0183 15.2355 9.8494 h1 2 APT 0.0400
2532 C157 22.9208 14.4441 8.5098 c3 2 APT 0.5210
2533 C158 23.2256 14.5196 10.0924 c3 2 APT 0.2280
2534 C159 22.4601 14.5310 11.4710 c3 2 APT 0.2280
2535 C15a 23.2999 14.1964 12.7297 c3 2 APT 0.4210
2536 N3a 22.3739 14.0712 13.9249 n 2 APT -0.2600
2537 H31f 23.7876 15.5083 10.1844 hc 2 APT 0.0540
2538 H320 24.0136 13.7143 10.2764 hc 2 APT 0.0540
2539 H321 21.7006 13.6836 11.5168 hc 2 APT 0.0540
2540 H322 21.9026 15.5165 11.5998 hc 2 APT 0.0540
2541 H323 24.0878 14.9970 12.9210 hc 2 APT 0.0540
2542 H324 23.8113 13.1879 12.5782 hc 2 APT 0.0540
2543 H325 21.8459 15.0331 14.0919 hn 2 APT -0.3200
2544 H326 22.9532 13.8045 14.8339 hn 2 APT -0.3200
2545 O73 23.6976 15.5607 7.9878 os 2 APT -0.4440
2546 O74 21.7682 13.6067 8.3618 os 2 APT -0.4440
2547 C15b 24.5633 14.4944 8.6147 c3 2 APT 0.1300
2548 C15c 22.1628 12.9471 9.6580 c3 2 APT 0.1300
2549 H327 25.5153 14.3374 8.0098 h1 2 APT 0.0400
2550 H328 24.8165 14.9188 9.6327 h1 2 APT 0.0400
2551 H329 24.1095 13.4710 8.8251 h1 2 APT 0.0400
2552 H32a 21.7162 11.9110 9.7921 h1 2 APT 0.0400
2553 H32b 21.5325 13.5997 10.3302 h1 2 APT 0.0400
2554 H32c 23.2734 12.7754 9.8462 h1 2 APT 0.0400
2555 C15d 27.1811 11.9819 8.5128 c3 2 APT 0.5210
2556 C15e 27.4821 12.0635 10.0963 c3 2 APT 0.2280
2557 C15f 26.7149 12.0746 11.4737 c3 2 APT 0.2280
2558 C160 27.5536 11.7392 12.7333 c3 2 APT 0.4210
2559 N3b 26.6296 11.6228 13.9313 n 2 APT -0.2600
2560 H32d 28.0446 13.0521 10.1872 hc 2 APT 0.0540
2561 H32e 28.2694 11.2582 10.2828 hc 2 APT 0.0540
2562 H32f 25.9551 11.2274 11.5168 hc 2 APT 0.0540
2563 H330 26.1577 13.0603 11.6021 hc 2 APT 0.0540
2564 H331 28.3451 12.5369 12.9214 hc 2 APT 0.0540
2565 H332 28.0611 10.7284 12.5834 hc 2 APT 0.0540
2566 H333 26.1039 12.5864 14.0955 hn 2 APT -0.3200
2567 H334 27.2081 11.3561 14.8409 hn 2 APT -0.3200
2568 O75 27.9475 13.1034 7.9872 os 2 APT -0.4440
2569 O76 26.0243 11.1529 8.3582 os 2 APT -0.4440
2570 C161 28.8142 12.0373 8.6132 c3 2 APT 0.1300
2571 C162 26.4213 10.4924 9.6532 c3 2 APT 0.1300
2572 H335 29.7647 11.8794 8.0064 h1 2 APT 0.0400
2573 H336 29.0697 12.4642 9.6291 h1 2 APT 0.0400
2574 H337 28.3621 11.0142 8.8296 h1 2 APT 0.0400
2575 H338 25.9740 9.4564 9.7853 h1 2 APT 0.0400
2576 H339 25.7923 11.1436 10.3281 h1 2 APT 0.0400
2577 H33a 27.5318 10.3204 9.8417 h1 2 APT 0.0400
2578 C163 31.4335 9.5338 8.5143 c3 2 APT 0.5210
2579 C164 31.7380 9.6088 10.0976 c3 2 APT 0.2280
2580 C165 30.9713 9.6174 11.4754 c3 2 APT 0.2280
2581 C166 31.8107 9.2832 12.7347 c3 2 APT 0.4210
2582 N3c 30.8814 9.1542 13.9270 n 2 APT -0.2600
2583 H33b 32.3047 10.5947 10.1919 hc 2 APT 0.0540
2584 H33c 32.5227 8.8002 10.2802 hc 2 APT 0.0540
2585 H33d 30.2130 8.7686 11.5172 hc 2 APT 0.0540
2586 H33e 30.4126 10.6022 11.6047 hc 2 APT 0.0540
2587 H33f 32.5962 10.0858 12.9280 hc 2 APT 0.0540
2588 H340 32.3252 8.2762 12.5836 hc 2 APT 0.0540
2589 H341 30.3510 10.1147 14.0943 hn 2 APT -0.3200
2590 H342 31.4583 8.8860 14.8371 hn 2 APT -0.3200
2591 O77 32.2064 10.6495 7.9862 os 2 APT -0.4440
2592 O78 30.2805 8.6989 8.3572 os 2 APT -0.4440
2593 C167 33.0680 9.5774 8.6109 c3 2 APT 0.1300
2594 C168 30.6729 8.0389 9.6548 c3 2 APT 0.1300
2595 H343 34.0183 9.4147 8.0049 h1 2 APT 0.0400
2596 H344 33.3239 10.0057 9.6256 h1 2 APT 0.0400
2597 H345 32.6143 8.5563 8.8338 h1 2 APT 0.0400
2598 H346 30.2234 7.0042 9.7903 h1 2 APT 0.0400
2599 H347 30.0454 8.6936 10.3278 h1 2 APT 0.0400
2600 H348 31.7828 7.8643 9.8447 h1 2 APT 0.0400
2601 C169 35.6924 7.0750 8.5136 c3 2 APT 0.5210
2602 C16a 35.9950 7.1567 10.0973 c3 2 APT 0.2280
2603 C16b 35.2238 7.1673 11.4730 c3 2 APT 0.2280
2604 C16c 36.0639 6.8368 12.7330 c3 2 APT 0.4210
2605 N3d 35.1396 6.7108 13.9292 n 2 APT -0.2600
2606 H349 36.5585 8.1446 10.1902 hc 2 APT 0.0540
2607 H34a 36.7808 6.3495 10.2819 hc 2 APT 0.0540
2608 H34b 34.4673 6.3170 11.5148 hc 2 APT 0.0540
2609 H34c 34.6624 8.1510 11.5998 hc 2 APT 0.0540
2610 H34d 36.8492 7.6404 12.9220 hc 2 APT 0.0540
2611 H34e 36.5793 5.8300 12.5836 hc 2 APT 0.0540
2612 H34f 34.6089 7.6716 14.0940 hn 2 APT -0.3200
2613 H350 35.7200 6.4465 14.8382 hn 2 APT -0.3200
2614 O79 36.4592 8.1955 7.9834 os 2 APT -0.4440
2615 O7a 34.5331 6.2482 8.3541 os 2 APT -0.4440
2616 C16d 37.3351 7.1402 8.6098 c3 2 APT 0.1300
2617 C16e 34.9261 5.5889 9.6510 c3 2 APT 0.1300
2618 H351 38.2875 6.9874 8.0052 h1 2 APT 0.0400
2619 H352 37.5823 7.5697 9.6265 h1 2 APT 0.0400
2620 H353 36.8852 6.1154 8.8247 h1 2 APT 0.0400
2621 H354 34.4797 4.5529 9.7856 h1 2 APT 0.0400
2622 H355 34.2983 6.2423 10.3252 h1 2 APT 0.0400
2623 H356 36.0367 5.4155 9.8378 h1 2 APT 0.0400
2624 C16f 40.0213 4.6299 8.5088 c3 2 APT 0.5210
2625 C170 40.3336 4.6991 10.0859 c3 2 APT 0.2280
2626 C171 39.5205 4.7149 11.4491 c3 2 APT 0.2280
2627 C172 40.3237 4.3769 12.7310 c3 2 APT 0.4210
2628 N3e 39.3892 4.2515 13.9212 n 2 APT -0.2600
2629 H357 40.9314 5.6642 10.1841 hc 2 APT 0.0540
2630 H358 41.0919 3.8659 10.2540 hc 2 APT 0.0540
2631 H359 38.7550 3.8724 11.4920 hc 2 APT 0.0540
2632 H35a 38.9621 5.7015 11.5698 hc 2 APT 0.0540
2633 H35b 41.1130 5.1733 12.9320 hc 2 APT 0.0540
2634 H35c 40.8332 3.3666 12.5862 hc 2 APT 0.0540
2635 H35d 38.8592 5.2122 14.0886 hn 2 APT -0.3200
2636 H35e 39.9644 3.9822 14.8323 hn 2 APT -0.3200
2637 O7b 40.8481 5.7724 8.0776 os 2 APT -0.4440
2638 O7c 38.8368 3.8079 8.3642 os 2 APT -0.4440
2639 C173 42.0296 5.0252 8.6493 c3 2 APT 0.1300
2640 C174 39.1921 3.1337 9.6624 c3 2 APT 0.1300
2641 H35f 42.7961 4.8567 7.8260 h1 2 APT 0.0400
2642 H360 42.4852 5.6039 9.5187 h1 2 APT 0.0400
2643 H361 41.6985 3.9925 9.0073 h1 2 APT 0.0400
2644 H362 38.7321 2.1028 9.7916 h1 2 APT 0.0400
2645 H363 38.5589 3.8003 10.3179 h1 2 APT 0.0400
2646 H364 40.2943 2.9496 9.8797 h1 2 APT 0.0400
2647 C175 1.4978 31.5487 8.5004 c3 2 APT 0.5210
2648 C176 1.9145 31.6183 10.0577 c3 2 APT 0.2280
2649 C177 1.1817 31.6892 11.4490 c3 2 APT 0.2280
2650 C178 2.0227 31.3814 12.7177 c3 2 APT 0.4210
2651 N3f 1.0982 31.2721 13.9169 n 2 APT -0.2600
2652 H365 2.5247 32.5800 10.1461 hc 2 APT 0.0540
2653 H366 2.6214 30.7353 10.2061 hc 2 APT 0.0540
2654 H367 0.4010 30.8626 11.4951 hc 2 APT 0.0540
2655 H368 0.6518 32.6923 11.5628 hc 2 APT 0.0540
2656 H369 2.8125 32.1836 12.8969 hc 2 APT 0.0540
2657 H36a 2.5346 30.3707 12.5858 hc 2 APT 0.0540
2658 H36b 0.5720 32.2361 14.0777 hn 2 APT -0.3200
2659 H36c 1.6750 31.0078 14.8283 hn 2 APT -0.3200
2660 O7d 2.3305 32.6616 8.0091 os 2 APT -0.4440
2661 O7e 0.3189 30.6780 8.3195 os 2 APT -0.4440
2662 C179 3.2794 31.6567 8.6103 c3 2 APT 0.1300
2663 C17a 0.4595 30.1164 9.6930 c3 2 APT 0.1300
2664 H36d 4.2213 31.5482 7.9795 h1 2 APT 0.0400
2665 H36e 3.5324 32.0791 9.6284 h1 2 APT 0.0400
2666 H36f 2.8765 30.6108 8.8147 h1 2 APT 0.0400
2667 H370 -0.2082 29.2116 9.8480 h1 2 APT 0.0400
2668 H371 0.0276 30.9694 10.3021 h1 2 APT 0.0400
2669 H372 1.5375 29.8302 9.9448 h1 2 APT 0.0400
2670 C17b 5.9042 29.1791 8.5150 c3 2 APT 0.5210
2671 C17c 6.2101 29.2612 10.0992 c3 2 APT 0.2280
2672 C17d 5.4453 29.2662 11.4788 c3 2 APT 0.2280
2673 C17e 6.2868 28.9341 12.7376 c3 2 APT 0.4210
2674 N40 5.3601 28.8059 13.9321 n 2 APT -0.2600
2675 H373 6.7713 30.2505 10.1919 hc 2 APT 0.0540
2676 H374 6.9976 28.4553 10.2825 hc 2 APT 0.0540
2677 H375 4.6905 28.4145 11.5204 hc 2 APT 0.0540
2678 H376 4.8821 30.2482 11.6093 hc 2 APT 0.0540
2679 H377 7.0724 29.7372 12.9279 hc 2 APT 0.0540
2680 H378 6.8015 27.9273 12.5854 hc 2 APT 0.0540
2681 H379 4.8266 29.7653 14.0960 hn 2 APT -0.3200
2682 H37a 5.9388 28.5420 14.8424 hn 2 APT -0.3200
2683 O7f 6.6708 30.2989 7.9822 os 2 APT -0.4440
2684 O80 4.7400 28.3532 8.3592 os 2 APT -0.4440
2685 C17f 7.5402 29.2378 8.6125 c3 2 APT 0.1300
2686 C180 5.1388 27.6938 9.6535 c3 2 APT 0.1300
2687 H37b 8.4918 29.0767 8.0079 h1 2 APT 0.0400
2688 H37c 7.7933 29.6721 9.6259 h1 2 APT 0.0400
2689 H37d 7.0890 28.2153 8.8330 h1 2 APT 0.0400
2690 H37e 4.7003 26.6551 9.7895 h1 2 APT 0.0400
2691 H37f 4.5143 28.3461 10.3315 h1 2 APT 0.0400
2692 H380 6.2513 27.5232 9.8342 h1 2 APT 0.0400
2693 C181 10.1552 26.7295 8.5162 c3 2 APT 0.5210
2694 C182 10.4655 26.8037 10.0982 c3 2 APT 0.2280
2695 C183 9.6973 26.8160 11.4750 c3 2 APT 0.2280
2696 C184 10.5366 26.4849 12.7346 c3 2 APT 0.4210
2697 N41 9.6063 26.3604 13.9262 n 2 APT -0.2600
2698 H381 11.0315 27.7901 10.1917 hc 2 APT 0.0540
2699 H382 11.2507 25.9951 10.2800 hc 2 APT 0.0540
2700 H383 8.9381 25.9681 11.5172 hc 2 APT 0.0540
2701 H384 9.1390 27.8011 11.6033 hc 2 APT 0.0540
2702 H385 11.3239 27.2861 12.9259 hc 2 APT 0.0540
2703 H386 11.0489 25.4766 12.5848 hc 2 APT 0.0540
2704 H387 9.0773 27.3219 14.0925 hn 2 APT -0.3200
2705 H388 10.1814 26.0905 14.8369 hn 2 APT -0.3200
2706 O81 10.9295 27.8436 7.9877 os 2 APT -0.4440
2707 O82 9.0118 25.8825 8.3555 os 2 APT -0.4440
2708 C185 11.7967 26.7767 8.6118 c3 2 APT 0.1300
2709 C186 9.4004 25.2323 9.6581 c3 2 APT 0.1300
2710 H389 12.7481 26.6191 8.0060 h1 2 APT 0.0400
2711 H38a 12.0518 27.2041 9.6275 h1 2 APT 0.0400
2712 H38b 11.3448 25.7539 8.8301 h1 2 APT 0.0400
2713 H38c 8.9500 24.1982 9.7947 h1 2 APT 0.0400
2714 H38d 8.7721 25.8908 10.3269 h1 2 APT 0.0400
2715 H38e 10.5097 25.0580 9.8508 h1 2 APT 0.0400
2716 C187 14.4232 24.2608 8.5104 c3 2 APT 0.5210
2717 C188 14.7217 24.3497 10.0941 c3 2 APT 0.2280
2718 C189 13.9532 24.3579 11.4711 c3 2 APT 0.2280
2719 C18a 14.7903 24.0210 12.7306 c3 2 APT 0.4210
2720 N42 13.8621 23.8968 13.9241 n 2 APT -0.2600
2721 H38f 15.2824 25.3395 10.1841 hc 2 APT 0.0540
2722 H390 15.5103 23.5457 10.2809 hc 2 APT 0.0540
2723 H391 13.1954 23.5089 11.5131 hc 2 APT 0.0540
2724 H392 13.3934 25.3419 11.6012 hc 2 APT 0.0540
2725 H393 15.5779 24.8215 12.9229 hc 2 APT 0.0540
2726 H394 15.3020 23.0125 12.5802 hc 2 APT 0.0540
2727 H395 13.3344 24.8593 14.0887 hn 2 APT -0.3200
2728 H396 14.4413 23.6316 14.8336 hn 2 APT -0.3200
2729 O83 15.1771 25.3882 7.9799 os 2 APT -0.4440
2730 O84 13.2595 23.4404 8.3586 os 2 APT -0.4440
2731 C18b 16.0472 24.3237 8.6050 c3 2 APT 0.1300
2732 C18c 13.6557 22.7816 9.6544 c3 2 APT 0.1300
2733 H397 16.9967 24.1645 7.9969 h1 2 APT 0.0400
2734 H398 16.3042 24.7538 9.6186 h1 2 APT 0.0400
2735 H399 15.5972 23.3007 8.8269 h1 2 APT 0.0400
2736 H39a 13.2106 21.7455 9.7926 h1 2 APT 0.0400
2737 H39b 13.0257 23.4359 10.3253 h1 2 APT 0.0400
2738 H39c 14.7667 22.6093 9.8404 h1 2 APT 0.0400
2739 C18d 18.6783 21.8098 8.5141 c3 2 APT 0.5210
2740 C18e 18.9755 21.8947 10.0979 c3 2 APT 0.2280
2741 C18f 18.2071 21.9060 11.4749 c3 2 APT 0.2280
2742 C190 19.0459 21.5707 12.7344 c3 2 APT 0.4210
2743 N43 18.1217 21.4408 13.9307 n 2 APT -0.2600
2744 H39d 19.5362 22.8845 10.1887 hc 2 APT 0.0540
2745 H39e 19.7640 21.0908 10.2854 hc 2 APT 0.0540
2746 H39f 17.4500 21.0567 11.5196 hc 2 APT 0.0540
2747 H3a0 17.6467 22.8900 11.6035 hc 2 APT 0.0540
2748 H3a1 19.8325 22.3724 12.9264 hc 2 APT 0.0540
2749 H3a2 19.5592 20.5633 12.5816 hc 2 APT 0.0540
2750 H3a3 17.5896 22.4002 14.0993 hn 2 APT -0.3200
2751 H3a4 18.7029 21.1744 14.8386 hn 2 APT -0.3200
2752 O85 19.4367 22.9373 7.9902 os 2 APT -0.4440
2753 O86 17.5203 20.9813 8.3657 os 2 APT -0.4440
2754 C191 20.3040 21.8700 8.6143 c3 2 APT 0.1300
2755 C192 17.9133 20.3193 9.6613 c3 2 APT 0.1300
2756 H3a5 21.2531 21.7096 8.0057 h1 2 APT 0.0400
2757 H3a6 20.5614 22.2949 9.6306 h1 2 APT 0.0400
2758 H3a7 19.8504 20.8473 8.8293 h1 2 APT 0.0400
2759 H3a8 17.4661 19.2829 9.7906 h1 2 APT 0.0400
2760 H3a9 17.2818 20.9702 10.3339 h1 2 APT 0.0400
2761 H3aa 19.0233 20.1491 9.8550 h1 2 APT 0.0400
2762 C193 22.9328 19.3469 8.5138 c3 2 APT 0.5210
2763 C194 23.2290 19.4338 10.0988 c3 2 APT 0.2280
2764 C195 22.4605 19.4465 11.4760 c3 2 APT 0.2280
2765 C196 23.2984 19.1133 12.7368 c3 2 APT 0.4210
2766 N44 22.3724 18.9887 13.9327 n 2 APT -0.2600
2767 H3ab 23.7932 20.4216 10.1901 hc 2 APT 0.0540
2768 H3ac 24.0149 18.6277 10.2874 hc 2 APT 0.0540
2769 H3ad 21.7017 18.5984 11.5191 hc 2 APT 0.0540
2770 H3ae 21.9021 20.4318 11.6034 hc 2 APT 0.0540
2771 H3af 24.0857 19.9150 12.9260 hc 2 APT 0.0540
2772 H3b0 23.8114 18.1054 12.5866 hc 2 APT 0.0540
2773 H3b1 21.8441 19.9507 14.0983 hn 2 APT -0.3200
2774 H3b2 22.9535 18.7243 14.8412 hn 2 APT -0.3200
2775 O87 23.6889 20.4758 7.9903 os 2 APT -0.4440
2776 O88 21.7630 18.5358 8.3608 os 2 APT -0.4440
2777 C197 24.5567 19.4080 8.6132 c3 2 APT 0.1300
2778 C198 22.1654 17.8676 9.6513 c3 2 APT 0.1300
2779 H3b3 25.5062 19.2516 8.0043 h1 2 APT 0.0400
2780 H3b4 24.8141 19.8321 9.6295 h1 2 APT 0.0400
2781 H3b5 24.1071 18.3841 8.8307 h1 2 APT 0.0400
2782 H3b6 21.7215 16.8303 9.7843 h1 2 APT 0.0400
2783 H3b7 21.5382 18.5147 10.3314 h1 2 APT 0.0400
2784 H3b8 23.2767 17.6943 9.8347 h1 2 APT 0.0400
2785 C199 27.1808 16.9035 8.5125 c3 2 APT 0.5210
2786 C19a 27.4829 16.9824 10.0971 c3 2 APT 0.2280
2787 C19b 26.7157 16.9877 11.4759 c3 2 APT 0.2280
2788 C19c 27.5571 16.6552 12.7349 c3 2 APT 0.4210
2789 N45 26.6342 16.5356 13.9335 n 2 APT -0.2600
2790 H3b9 28.0457 17.9706 10.1904 hc 2 APT 0.0540
2791 H3ba 28.2711 16.1773 10.2801 hc 2 APT 0.0540
2792 H3bb 25.9596 16.1370 11.5177 hc 2 APT 0.0540
2793 H3bc 26.1538 17.9706 11.6062 hc 2 APT 0.0540
2794 H3bd 28.3451 17.4568 12.9212 hc 2 APT 0.0540
2795 H3be 28.0695 15.6467 12.5861 hc 2 APT 0.0540
2796 H3bf 26.1044 17.4972 14.0970 hn 2 APT -0.3200
2797 H3c0 27.2143 16.2723 14.8430 hn 2 APT -0.3200
2798 O89 27.9484 18.0217 7.9801 os 2 APT -0.4440
2799 O8a 26.0269 16.0691 8.3597 os 2 APT -0.4440
2800 C19d 28.8141 16.9546 8.6056 c3 2 APT 0.1300
2801 C19e 26.4236 15.4077 9.6545 c3 2 APT 0.1300
2802 H3c1 29.7661 16.7957 8.0012 h1 2 APT 0.0400
2803 H3c2 29.0671 17.3839 9.6209 h1 2 APT 0.0400
2804 H3c3 28.3621 15.9324 8.8261 h1 2 APT 0.0400
2805 H3c4 25.9793 14.3707 9.7886 h1 2 APT 0.0400
2806 H3c5 25.7940 16.0588 10.3289 h1 2 APT 0.0400
2807 H3c6 27.5348 15.2386 9.8414 h1 2 APT 0.0400
2808 C19f 31.4331 14.4455 8.5144 c3 2 APT 0.5210
2809 C1a0 31.7399 14.5249 10.0978 c3 2 APT 0.2280
2810 C1a1 30.9736 14.5330 11.4762 c3 2 APT 0.2280
2811 C1a2 31.8144 14.2029 12.7351 c3 2 APT 0.4210
2812 N46 30.8825 14.0761 13.9251 n 2 APT -0.2600
2813 H3c7 32.3031 15.5130 10.1902 hc 2 APT 0.0540
2814 H3c8 32.5269 13.7185 10.2816 hc 2 APT 0.0540
2815 H3c9 30.2183 13.6817 11.5200 hc 2 APT 0.0540
2816 H3ca 30.4116 15.5159 11.6055 hc 2 APT 0.0540
2817 H3cb 32.5993 15.0062 12.9276 hc 2 APT 0.0540
2818 H3cc 32.3295 13.1957 12.5868 hc 2 APT 0.0540
2819 H3cd 30.3497 15.0360 14.0884 hn 2 APT -0.3200
2820 H3ce 31.4571 13.8107 14.8373 hn 2 APT -0.3200
2821 O8b 32.2008 15.5668 7.9893 os 2 APT -0.4440
2822 O8c 30.2783 13.6116 8.3620 os 2 APT -0.4440
2823 C1a3 33.0667 14.4979 8.6121 c3 2 APT 0.1300
2824 C1a4 30.6754 12.9536 9.6582 c3 2 APT 0.1300
2825 H3cf 34.0156 14.3395 8.0027 h1 2 APT 0.0400
2826 H3d0 33.3246 14.9281 9.6257 h1 2 APT 0.0400
2827 H3d1 32.6178 13.4745 8.8350 h1 2 APT 0.0400
2828 H3d2 30.2286 11.9180 9.7941 h1 2 APT 0.0400
2829 H3d3 30.0470 13.6070 10.3316 h1 2 APT 0.0400
2830 H3d4 31.7861 12.7813 9.8457 h1 2 APT 0.0400
2831 C1a5 35.6827 11.9917 8.5150 c3 2 APT 0.5210
2832 C1a6 35.9937 12.0674 10.0971 c3 2 APT 0.2280
2833 C1a7 35.2256 12.0771 11.4749 c3 2 APT 0.2280
2834 C1a8 36.0615 11.7470 12.7378 c3 2 APT 0.4210
2835 N47 35.1325 11.6206 13.9309 n 2 APT -0.2600
2836 H3d5 36.5550 13.0564 10.1907 hc 2 APT 0.0540
2837 H3d6 36.7820 11.2617 10.2768 hc 2 APT 0.0540
2838 H3d7 34.4692 11.2269 11.5178 hc 2 APT 0.0540
2839 H3d8 34.6640 13.0607 11.6011 hc 2 APT 0.0540
2840 H3d9 36.8474 12.5494 12.9296 hc 2 APT 0.0540
2841 H3da 36.5759 10.7396 12.5894 hc 2 APT 0.0540
2842 H3db 34.6041 12.5822 14.0987 hn 2 APT -0.3200
2843 H3dc 35.7105 11.3509 14.8399 hn 2 APT -0.3200
2844 O8d 36.4519 13.1075 7.9791 os 2 APT -0.4440
2845 O8e 34.5390 11.1433 8.3597 os 2 APT -0.4440
2846 C1a9 37.3329 12.0566 8.6047 c3 2 APT 0.1300
2847 C1aa 34.9282 10.4920 9.6611 c3 2 APT 0.1300
2848 H3dd 38.2872 11.9114 8.0012 h1 2 APT 0.0400
2849 H3de 37.5763 12.4880 9.6214 h1 2 APT 0.0400
2850 H3df 36.8892 11.0292 8.8202 h1 2 APT 0.0400
2851 H3e0 34.4804 9.4567 9.7972 h1 2 APT 0.0400
2852 H3e1 34.2983 11.1498 10.3293 h1 2 APT 0.0400
2853 H3e2 36.0382 10.3216 9.8532 h1 2 APT 0.0400
2854 C1ab 40.0206 9.5421 8.5115 c3 2 APT 0.5210
2855 C1ac 40.3322 9.6102 10.0891 c3 2 APT 0.2280
2856 C1ad 39.5215 9.6245 11.4543 c3 2 APT 0.2280
2857 C1ae 40.3228 9.2884 12.7385 c3 2 APT 0.4210
2858 N48 39.3881 9.1666 13.9293 n 2 APT -0.2600
2859 H3e3 40.9296 10.5756 10.1869 hc 2 APT 0.0540
2860 H3e4 41.0922 8.7783 10.2559 hc 2 APT 0.0540
2861 H3e5 38.7564 8.7815 11.4949 hc 2 APT 0.0540
2862 H3e6 38.9620 10.6106 11.5737 hc 2 APT 0.0540
2863 H3e7 41.1109 10.0862 12.9384 hc 2 APT 0.0540
2864 H3e8 40.8335 8.2783 12.5958 hc 2 APT 0.0540
2865 H3e9 38.8612 10.1292 14.0960 hn 2 APT -0.3200
2866 H3ea 39.9626 8.8964 14.8406 hn 2 APT -0.3200
2867 O8f 40.8453 10.6846 8.0770 os 2 APT -0.4440
2868 O90 38.8377 8.7182 8.3622 os 2 APT -0.4440
2869 C1af 42.0258 9.9366 8.6484 c3 2 APT 0.1300
2870 C1b0 39.1936 8.0477 9.6616 c3 2 APT 0.1300
2871 H3eb 42.7943 9.7721 7.8262 h1 2 APT 0.0400
2872 H3ec 42.4790 10.5129 9.5206 h1 2 APT 0.0400
2873 H3ed 41.6940 8.9028 9.0031 h1 2 APT 0.0400
2874 H3ee 38.7345 7.0165 9.7903 h1 2 APT 0.0400
2875 H3ef 38.5612 8.7138 10.3188 h1 2 APT 0.0400
2876 H3f0 40.2963 7.8624 9.8757 h1 2 APT 0.0400
2877 C1b1 1.5059 36.4620 8.5010 c3 2 APT 0.5210
2878 C1b2 1.9169 36.5335 10.0601 c3 2 APT 0.2280
2879 C1b3 1.1854 36.6052 11.4528 c3 2 APT 0.2280
2880 C1b4 2.0282 36.2959 12.7200 c3 2 APT 0.4210
2881 N49 1.1062 36.1793 13.9206 n 2 APT -0.2600
2882 H3f1 2.5258 37.4962 10.1475 hc 2 APT 0.0540
2883 H3f2 2.6245 35.6513 10.2107 hc 2 APT 0.0540
2884 H3f3 0.4054 35.7779 11.4999 hc 2 APT 0.0540
2885 H3f4 0.6541 37.6074 11.5680 hc 2 APT 0.0540
2886 H3f5 2.8159 37.0999 12.9002 hc 2 APT 0.0540
2887 H3f6 2.5419 35.2866 12.5840 hc 2 APT 0.0540
2888 H3f7 0.5725 37.1387 14.0837 hn 2 APT -0.3200
2889 H3f8 1.6858 35.9173 14.8308 hn 2 APT -0.3200
2890 O91 2.3350 37.5787 8.0128 os 2 APT -0.4440
2891 O92 0.3275 35.5907 8.3252 os 2 APT -0.4440
2892 C1b5 3.2767 36.5672 8.6161 c3 2 APT 0.1300
2893 C1b6 0.4651 35.0341 9.7011 c3 2 APT 0.1300
2894 H3f9 4.2188 36.4554 7.9863 h1 2 APT 0.0400
2895 H3fa 3.5330 36.9876 9.6343 h1 2 APT 0.0400
2896 H3fb 2.8710 35.5219 8.8193 h1 2 APT 0.0400
2897 H3fc -0.2040 34.1306 9.8571 h1 2 APT 0.0400
2898 H3fd 0.0313 35.8888 10.3066 h1 2 APT 0.0400
2899 H3fe 1.5419 34.7461 9.9562 h1 2 APT 0.0400
2900 C1b7 5.9022 34.0899 8.5121 c3 2 APT 0.5210
2901 C1b8 6.2079 34.1757 10.0957 c3 2 APT 0.2280
2902 C1b9 5.4396 34.1879 11.4729 c3 2 APT 0.2280
2903 C1ba 6.2770 33.8517 12.7331 c3 2 APT 0.4210
2904 N4a 5.3457 33.7251 13.9241 n 2 APT -0.2600
2905 H3ff 6.7720 35.1637 10.1863 hc 2 APT 0.0540
2906 H400 6.9933 33.3686 10.2829 hc 2 APT 0.0540
2907 H401 4.6793 33.3413 11.5166 hc 2 APT 0.0540
2908 H402 4.8829 35.1741 11.6010 hc 2 APT 0.0540
2909 H403 7.0643 34.6522 12.9266 hc 2 APT 0.0540
2910 H404 6.7894 32.8433 12.5833 hc 2 APT 0.0540
2911 H405 4.8166 34.6866 14.0903 hn 2 APT -0.3200
2912 H406 5.9219 33.4568 14.8346 hn 2 APT -0.3200
2913 O93 6.6702 35.2091 7.9813 os 2 APT -0.4440
2914 O94 4.7406 33.2610 8.3593 os 2 APT -0.4440
2915 C1bb 7.5375 34.1474 8.6144 c3 2 APT 0.1300
2916 C1bc 5.1376 32.6015 9.6545 c3 2 APT 0.1300
2917 H407 8.4878 33.9848 8.0084 h1 2 APT 0.0400
2918 H408 7.7932 34.5806 9.6274 h1 2 APT 0.0400
2919 H409 7.0851 33.1250 8.8335 h1 2 APT 0.0400
2920 H40a 4.6961 31.5642 9.7928 h1 2 APT 0.0400
2921 H40b 4.5134 33.2568 10.3292 h1 2 APT 0.0400
2922 H40c 6.2496 32.4336 9.8400 h1 2 APT 0.0400
2923 C1bd 10.1626 31.6380 8.5138 c3 2 APT 0.5210
2924 C1be 10.4629 31.7192 10.0978 c3 2 APT 0.2280
2925 C1bf 9.6943 31.7298 11.4751 c3 2 APT 0.2280
2926 C1c0 10.5339 31.3958 12.7346 c3 2 APT 0.4210
2927 N4b 9.6099 31.2671 13.9311 n 2 APT -0.2600
2928 H40d 11.0272 32.7068 10.1891 hc 2 APT 0.0540
2929 H40e 11.2497 30.9131 10.2830 hc 2 APT 0.0540
2930 H40f 8.9352 30.8816 11.5146 hc 2 APT 0.0540
2931 H410 9.1351 32.7146 11.6030 hc 2 APT 0.0540
2932 H411 11.3220 32.1965 12.9249 hc 2 APT 0.0540
2933 H412 11.0465 30.3881 12.5818 hc 2 APT 0.0540
2934 H413 9.0800 32.2276 14.0998 hn 2 APT -0.3200
2935 H414 10.1918 31.0009 14.8386 hn 2 APT -0.3200
2936 O95 10.9275 32.7585 7.9846 os 2 APT -0.4440
2937 O96 9.0091 30.8056 8.3507 os 2 APT -0.4440
2938 C1c1 11.7948 31.6899 8.6069 c3 2 APT 0.1300
2939 C1c2 9.4003 30.1545 9.6519 c3 2 APT 0.1300
2940 H415 12.7473 31.5348 8.0022 h1 2 APT 0.0400
2941 H416 12.0474 32.1168 9.6229 h1 2 APT 0.0400
2942 H417 11.3446 30.6670 8.8281 h1 2 APT 0.0400
2943 H418 8.9517 29.1202 9.7914 h1 2 APT 0.0400
2944 H419 8.7719 30.8119 10.3219 h1 2 APT 0.0400
2945 H41a 10.5105 29.9783 9.8391 h1 2 APT 0.0400
2946 C1c3 14.4212 29.1748 8.5150 c3 2 APT 0.5210
2947 C1c4 14.7219 29.2581 10.0990 c3 2 APT 0.2280
2948 C1c5 13.9526 29.2716 11.4751 c3 2 APT 0.2280
2949 C1c6 14.7929 28.9382 12.7334 c3 2 APT 0.4210
2950 N4c 13.8631 28.8193 13.9261 n 2 APT -0.2600
2951 H41b 15.2873 30.2451 10.1911 hc 2 APT 0.0540
2952 H41c 15.5065 28.4504 10.2864 hc 2 APT 0.0540
2953 H41d 13.1931 28.4242 11.5192 hc 2 APT 0.0540
2954 H41e 13.3953 30.2575 11.6025 hc 2 APT 0.0540
2955 H41f 15.5821 29.7382 12.9217 hc 2 APT 0.0540
2956 H420 15.3031 27.9285 12.5856 hc 2 APT 0.0540
2957 H421 13.3345 29.7818 14.0880 hn 2 APT -0.3200
2958 H422 14.4398 28.5541 14.8371 hn 2 APT -0.3200
2959 O97 15.1805 30.3008 7.9897 os 2 APT -0.4440
2960 O98 13.2569 28.3557 8.3604 os 2 APT -0.4440
2961 C1c7 16.0470 29.2327 8.6140 c3 2 APT 0.1300
2962 C1c8 13.6568 27.6928 9.6535 c3 2 APT 0.1300
2963 H423 16.9958 29.0741 8.0048 h1 2 APT 0.0400
2964 H424 16.3061 29.6601 9.6286 h1 2 APT 0.0400
2965 H425 15.5975 28.2091 8.8340 h1 2 APT 0.0400
2966 H426 13.2119 26.6560 9.7861 h1 2 APT 0.0400
2967 H427 13.0284 28.3418 10.3309 h1 2 APT 0.0400
2968 H428 14.7677 27.5182 9.8379 h1 2 APT 0.0400
2969 C1c9 18.6737 26.7236 8.5153 c3 2 APT 0.5210
2970 C1ca 18.9766 26.8006 10.0989 c3 2 APT 0.2280
2971 C1cb 18.2070 26.8160 11.4748 c3 2 APT 0.2280
2972 C1cc 19.0475 26.4833 12.7333 c3 2 APT 0.4210
2973 N4d 18.1237 26.3597 13.9301 n 2 APT -0.2600
2974 H429 19.5416 27.7875 10.1925 hc 2 APT 0.0540
2975 H42a 19.7622 25.9929 10.2831 hc 2 APT 0.0540
2976 H42b 17.4465 25.9694 11.5177 hc 2 APT 0.0540
2977 H42c 17.6505 27.8024 11.6015 hc 2 APT 0.0540
2978 H42d 19.8344 27.2857 12.9207 hc 2 APT 0.0540
2979 H42e 19.5607 25.4753 12.5838 hc 2 APT 0.0540
2980 H42f 17.5936 27.3210 14.0942 hn 2 APT -0.3200
2981 H430 18.7048 26.0963 14.8390 hn 2 APT -0.3200
2982 O99 19.4362 27.8477 7.9899 os 2 APT -0.4440
2983 O9a 17.5186 25.8925 8.3550 os 2 APT -0.4440
2984 C1cd 20.3042 26.7777 8.6091 c3 2 APT 0.1300
2985 C1ce 17.9094 25.2370 9.6545 c3 2 APT 0.1300
2986 H431 21.2545 26.6215 8.0013 h1 2 APT 0.0400
2987 H432 20.5597 27.2046 9.6243 h1 2 APT 0.0400
2988 H433 19.8544 25.7541 8.8290 h1 2 APT 0.0400
2989 H434 17.4600 24.2022 9.7877 h1 2 APT 0.0400
2990 H435 17.2809 25.8910 10.3275 h1 2 APT 0.0400
2991 H436 19.0186 25.0588 9.8459 h1 2 APT 0.0400
2992 C1cf 22.9289 24.2695 8.5153 c3 2 APT 0.5210
2993 C1d0 23.2288 24.3484 10.0998 c3 2 APT 0.2280
2994 C1d1 22.4624 24.3543 11.4779 c3 2 APT 0.2280
2995 C1d2 23.3013 24.0243 12.7385 c3 2 APT 0.4210
2996 N4e 22.3721 23.8975 13.9309 n 2 APT -0.2600
2997 H437 23.7915 25.3366 10.1936 hc 2 APT 0.0540
2998 H438 24.0165 23.5428 10.2837 hc 2 APT 0.0540
2999 H439 21.7071 23.5029 11.5175 hc 2 APT 0.0540
3000 H43a 21.8998 25.3369 11.6073 hc 2 APT 0.0540
3001 H43b 24.0847 24.8293 12.9300 hc 2 APT 0.0540
3002 H43c 23.8182 23.0180 12.5902 hc 2 APT 0.0540
3003 H43d 21.8375 24.8566 14.0928 hn 2 APT -0.3200
3004 H43e 22.9506 23.6367 14.8421 hn 2 APT -0.3200
3005 O9b 23.6924 25.3944 7.9930 os 2 APT -0.4440
3006 O9c 21.7759 23.4355 8.3555 os 2 APT -0.4440
3007 C1d3 24.5562 24.3231 8.6149 c3 2 APT 0.1300
3008 C1d4 22.1664 22.7813 9.6558 c3 2 APT 0.1300
3009 H43f 25.5052 24.1607 8.0069 h1 2 APT 0.0400
3010 H440 24.8142 24.7484 9.6306 h1 2 APT 0.0400
3011 H441 24.1026 23.3011 8.8337 h1 2 APT 0.0400
3012 H442 21.7191 21.7459 9.7924 h1 2 APT 0.0400
3013 H443 21.5362 23.4364 10.3266 h1 2 APT 0.0400
3014 H444 23.2764 22.6065 9.8447 h1 2 APT 0.0400
3015 C1d5 27.1786 21.8116 8.5107 c3 2 APT 0.5210
3016 C1d6 27.4787 21.8929 10.0952 c3 2 APT 0.2280
3017 C1d7 26.7143 21.9018 11.4748 c3 2 APT 0.2280
3018 C1d8 27.5559 21.5717 12.7340 c3 2 APT 0.4210
3019 N4f 26.6316 21.4463 13.9305 n 2 APT -0.2600
3020 H445 28.0423 22.8809 10.1868 hc 2 APT 0.0540
3021 H446 28.2655 21.0870 10.2813 hc 2 APT 0.0540
3022 H447 25.9574 21.0521 11.5194 hc 2 APT 0.0540
3023 H448 26.1543 22.8860 11.6032 hc 2 APT 0.0540
3024 H449 28.3426 22.3743 12.9221 hc 2 APT 0.0540
3025 H44a 28.0700 20.5643 12.5847 hc 2 APT 0.0540
3026 H44b 26.1034 22.4082 14.0968 hn 2 APT -0.3200
3027 H44c 27.2104 21.1779 14.8394 hn 2 APT -0.3200
3028 O9d 27.9504 22.9287 7.9829 os 2 APT -0.4440
3029 O9e 26.0198 20.9837 8.3583 os 2 APT -0.4440
3030 C1d9 28.8119 21.8613 8.6147 c3 2 APT 0.1300
3031 C1da 26.4167 20.3230 9.6542 c3 2 APT 0.1300
3032 H44d 29.7632 21.7000 8.0100 h1 2 APT 0.0400
3033 H44e 29.0671 22.2896 9.6302 h1 2 APT 0.0400
3034 H44f 28.3570 20.8393 8.8304 h1 2 APT 0.0400
3035 H450 25.9733 19.2853 9.7863 h1 2 APT 0.0400
3036 H451 25.7873 20.9720 10.3311 h1 2 APT 0.0400
3037 H452 27.5273 20.1506 9.8416 h1 2 APT 0.0400
3038 C1db 31.4411 19.3499 8.5154 c3 2 APT 0.5210
3039 C1dc 31.7414 19.4349 10.0996 c3 2 APT 0.2280
3040 C1dd 30.9715 19.4448 11.4753 c3 2 APT 0.2280
3041 C1de 31.8075 19.1121 12.7370 c3 2 APT 0.4210
3042 N50 30.8775 18.9878 13.9294 n 2 APT -0.2600
3043 H453 32.3031 20.4240 10.1919 hc 2 APT 0.0540
3044 H454 32.5276 18.6285 10.2858 hc 2 APT 0.0540
3045 H455 30.2135 18.5959 11.5157 hc 2 APT 0.0540
3046 H456 30.4118 20.4294 11.6021 hc 2 APT 0.0540
3047 H457 32.5946 19.9133 12.9292 hc 2 APT 0.0540
3048 H458 32.3204 18.1040 12.5871 hc 2 APT 0.0540
3049 H459 30.3516 19.9512 14.0948 hn 2 APT -0.3200
3050 H45a 31.4549 18.7208 14.8395 hn 2 APT -0.3200
3051 O9f 32.1945 20.4762 7.9826 os 2 APT -0.4440
3052 Oa0 30.2798 18.5286 8.3542 os 2 APT -0.4440
3053 C1df 33.0639 19.4137 8.6127 c3 2 APT 0.1300
3054 C1e0 30.6733 17.8674 9.6503 c3 2 APT 0.1300
3055 H45b 34.0135 19.2540 8.0050 h1 2 APT 0.0400
3056 H45c 33.3224 19.8455 9.6256 h1 2 APT 0.0400
3057 H45d 32.6161 18.3895 8.8334 h1 2 APT 0.0400
3058 H45e 30.2259 16.8316 9.7843 h1 2 APT 0.0400
3059 H45f 30.0469 18.5205 10.3259 h1 2 APT 0.0400
3060 H460 31.7840 17.6939 9.8370 h1 2 APT 0.0400
3061 C1e1 35.6934 16.8943 8.5141 c3 2 APT 0.5210
3062 C1e2 35.9960 16.9732 10.0976 c3 2 APT 0.2280
3063 C1e3 35.2307 16.9855 11.4764 c3 2 APT 0.2280
3064 C1e4 36.0687 16.6486 12.7358 c3 2 APT 0.4210
3065 N51 35.1360 16.5295 13.9264 n 2 APT -0.2600
3066 H461 36.5572 17.9623 10.1909 hc 2 APT 0.0540
3067 H462 36.7839 16.1676 10.2798 hc 2 APT 0.0540
3068 H463 34.4687 16.1401 11.5188 hc 2 APT 0.0540
3069 H464 34.6753 17.9721 11.6063 hc 2 APT 0.0540
3070 H465 36.8589 17.4467 12.9277 hc 2 APT 0.0540
3071 H466 36.5769 15.6379 12.5875 hc 2 APT 0.0540
3072 H467 34.6114 17.4941 14.0889 hn 2 APT -0.3200
3073 H468 35.7098 16.2617 14.8385 hn 2 APT -0.3200
3074 Oa1 36.4567 18.0195 7.9904 os 2 APT -0.4440
3075 Oa2 34.5330 16.0700 8.3596 os 2 APT -0.4440
3076 C1e5 37.3372 16.9649 8.6115 c3 2 APT 0.1300
3077 C1e6 34.9310 15.4083 9.6543 c3 2 APT 0.1300
3078 H469 38.2915 16.8218 8.0074 h1 2 APT 0.0400
3079 H46a 37.5812 17.3897 9.6310 h1 2 APT 0.0400
3080 H46b 36.8928 15.9370 8.8231 h1 2 APT 0.0400
3081 H46c 34.4815 14.3737 9.7896 h1 2 APT 0.0400
3082 H46d 34.3046 16.0618 10.3294 h1 2 APT 0.0400
3083 H46e 36.0414 15.2318 9.8405 h1 2 APT 0.0400
3084 C1e7 40.0252 14.4449 8.5089 c3 2 APT 0.5210
3085 C1e8 40.3334 14.5257 10.0858 c3 2 APT 0.2280
3086 C1e9 39.5212 14.5409 11.4490 c3 2 APT 0.2280
3087 C1ea 40.3279 14.2006 12.7281 c3 2 APT 0.4210
3088 N52 39.3939 14.0721 13.9184 n 2 APT -0.2600
3089 H46f 40.9289 15.4928 10.1803 hc 2 APT 0.0540
3090 H470 41.0925 13.6941 10.2575 hc 2 APT 0.0540
3091 H471 38.7582 13.6963 11.4932 hc 2 APT 0.0540
3092 H472 38.9602 15.5260 11.5703 hc 2 APT 0.0540
3093 H473 41.1160 14.9979 12.9299 hc 2 APT 0.0540
3094 H474 40.8386 13.1911 12.5813 hc 2 APT 0.0540
3095 H475 38.8648 15.0329 14.0882 hn 2 APT -0.3200
3096 H476 39.9687 13.8006 14.8290 hn 2 APT -0.3200
3097 Oa3 40.8421 15.5968 8.0868 os 2 APT -0.4440
3098 Oa4 38.8214 13.6513 8.3676 os 2 APT -0.4440
3099 C1eb 42.0267 14.8462 8.6476 c3 2 APT 0.1300
3100 C1ec 39.1862 12.9659 9.6577 c3 2 APT 0.1300
3101 H477 42.7843 14.6767 7.8163 h1 2 APT 0.0400
3102 H478 42.4917 15.4246 9.5121 h1 2 APT 0.0400
3103 H479 41.6977 13.8138 9.0090 h1 2 APT 0.0400
3104 H47a 38.7287 11.9337 9.7838 h1 2 APT 0.0400
3105 H47b 38.5554 13.6267 10.3211 h1 2 APT 0.0400
3106 H47c 40.2897 12.7811 9.8690 h1 2 APT 0.0400
3107 C1ed 1.5042 41.3787 8.5046 c3 2 APT 0.5210
3108 C1ee 1.9219 41.4400 10.0620 c3 2 APT 0.2280
3109 C1ef 1.1879 41.5123 11.4533 c3 2 APT 0.2280
3110 C1f0 2.0272 41.2034 12.7229 c3 2 APT 0.4210
3111 N53 1.1050 41.0944 13.9239 n 2 APT -0.2600
3112 H47d 2.5313 42.4016 10.1542 hc 2 APT 0.0540
3113 H47e 2.6277 40.5556 10.2063 hc 2 APT 0.0540
3114 H47f 0.4059 40.6869 11.4982 hc 2 APT 0.0540
3115 H480 0.6594 42.5162 11.5667 hc 2 APT 0.0540
3116 H481 2.8166 42.0062 12.9008 hc 2 APT 0.0540
3117 H482 2.5396 40.1931 12.5900 hc 2 APT 0.0540
3118 H483 0.5768 42.0573 14.0843 hn 2 APT -0.3200
3119 H484 1.6849 40.8334 14.8343 hn 2 APT -0.3200
3120 Oa5 2.3308 42.4975 8.0144 os 2 APT -0.4440
3121 Oa6 0.3294 40.5035 8.3204 os 2 APT -0.4440
3122 C1f1 3.2885 41.4971 8.6069 c3 2 APT 0.1300
3123 C1f2 0.4588 39.9476 9.6974 c3 2 APT 0.1300
3124 H485 4.2311 41.3966 7.9762 h1 2 APT 0.0400
3125 H486 3.5366 41.9180 9.6263 h1 2 APT 0.0400
3126 H487 2.8907 40.4484 8.8094 h1 2 APT 0.0400
3127 H488 -0.2167 39.0485 9.8508 h1 2 APT 0.0400
3128 H489 0.0301 40.8048 10.3032 h1 2 APT 0.0400
3129 H48a 1.5329 39.6536 9.9568 h1 2 APT 0.0400
3130 C1f3 5.8984 39.0038 8.5123 c3 2 APT 0.5210
3131 C1f4 6.2079 39.0835 10.0954 c3 2 APT 0.2280
3132 C1f5 5.4447 39.0944 11.4763 c3 2 APT 0.2280
3133 C1f6 6.2851 38.7641 12.7365 c3 2 APT 0.4210
3134 N54 5.3563 38.6340 13.9291 n 2 APT -0.2600
3135 H48b 6.7700 40.0722 10.1867 hc 2 APT 0.0540
3136 H48c 6.9953 38.2771 10.2763 hc 2 APT 0.0540
3137 H48d 4.6870 38.2454 11.5205 hc 2 APT 0.0540
3138 H48e 4.8842 40.0784 11.6044 hc 2 APT 0.0540
3139 H48f 7.0702 39.5674 12.9284 hc 2 APT 0.0540
3140 H490 6.8002 37.7572 12.5868 hc 2 APT 0.0540
3141 H491 4.8224 39.5928 14.0948 hn 2 APT -0.3200
3142 H492 5.9336 38.3686 14.8397 hn 2 APT -0.3200
3143 Oa7 6.6697 40.1236 7.9826 os 2 APT -0.4440
3144 Oa8 4.7380 38.1705 8.3594 os 2 APT -0.4440
3145 C1f7 7.5513 39.0719 8.6067 c3 2 APT 0.1300
3146 C1f8 5.1363 37.5138 9.6555 c3 2 APT 0.1300
3147 H493 8.5073 38.9274 8.0055 h1 2 APT 0.0400
3148 H494 7.7930 39.5019 9.6244 h1 2 APT 0.0400
3149 H495 7.1082 38.0443 8.8231 h1 2 APT 0.0400
3150 H496 4.6954 36.4763 9.7940 h1 2 APT 0.0400
3151 H497 4.5131 38.1690 10.3320 h1 2 APT 0.0400
3152 H498 6.2481 37.3428 9.8390 h1 2 APT 0.0400
3153 C1f9 10.1579 36.5563 8.5142 c3 2 APT 0.5210
3154 C1fa 10.4683 36.6301 10.0962 c3 2 APT 0.2280
3155 C1fb 9.6999 36.6435 11.4737 c3 2 APT 0.2280
3156 C1fc 10.5406 36.3041 12.7304 c3 2 APT 0.4210
3157 N55 9.6126 36.1835 13.9243 n 2 APT -0.2600
3158 H499 11.0348 37.6162 10.1895 hc 2 APT 0.0540
3159 H49a 11.2529 35.8210 10.2769 hc 2 APT 0.0540
3160 H49b 8.9360 35.8000 11.5179 hc 2 APT 0.0540
3161 H49c 9.1473 37.6316 11.6046 hc 2 APT 0.0540
3162 H49d 11.3317 37.1017 12.9206 hc 2 APT 0.0540
3163 H49e 11.0480 35.2934 12.5794 hc 2 APT 0.0540
3164 H49f 9.0828 37.1451 14.0872 hn 2 APT -0.3200
3165 H4a0 10.1875 35.9163 14.8360 hn 2 APT -0.3200
3166 Oa9 10.9340 37.6730 7.9894 os 2 APT -0.4440
3167 Oaa 9.0119 35.7100 8.3609 os 2 APT -0.4440
3168 C1fd 11.8109 36.6136 8.6077 c3 2 APT 0.1300
3169 C1fe 9.4013 35.0561 9.6614 c3 2 APT 0.1300
3170 H4a1 12.7645 36.4671 8.0033 h1 2 APT 0.0400
3171 H4a2 12.0573 37.0380 9.6268 h1 2 APT 0.0400
3172 H4a3 11.3629 35.5878 8.8220 h1 2 APT 0.0400
3173 H4a4 8.9503 34.0224 9.7994 h1 2 APT 0.0400
3174 H4a5 8.7734 35.7153 10.3296 h1 2 APT 0.0400
3175 H4a6 10.5113 34.8833 9.8513 h1 2 APT 0.0400
3176 C1ff 14.4255 34.0823 8.5133 c3 2 APT 0.5210
3177 C200 14.7210 34.1693 10.0982 c3 2 APT 0.2280
3178 C201 13.9528 34.1874 11.4759 c3 2 APT 0.2280
3179 C202 14.7914 33.8549 12.7358 c3 2 APT 0.4210
3180 N56 13.8603 33.7297 13.9269 n 2 APT -0.2600
3181 H4a7 15.2819 35.1587 10.1894 hc 2 APT 0.0540
3182 H4a8 15.5080 33.3639 10.2848 hc 2 APT 0.0540
3183 H4a9 13.1935 33.3400 11.5231 hc 2 APT 0.0540
3184 H4aa 13.3947 35.1731 11.6020 hc 2 APT 0.0540
3185 H4ab 15.5793 34.6554 12.9274 hc 2 APT 0.0540
3186 H4ac 15.3026 32.8461 12.5854 hc 2 APT 0.0540
3187 H4ad 13.3322 34.6918 14.0923 hn 2 APT -0.3200
3188 H4ae 14.4354 33.4599 14.8376 hn 2 APT -0.3200
3189 Oab 15.1732 35.2176 7.9877 os 2 APT -0.4440
3190 Oac 13.2510 33.2766 8.3650 os 2 APT -0.4440
3191 C203 16.0574 34.1659 8.6086 c3 2 APT 0.1300
3192 C204 13.6496 32.6098 9.6569 c3 2 APT 0.1300
3193 H4af 17.0082 34.0161 8.0005 h1 2 APT 0.0400
3194 H4b0 16.3056 34.5950 9.6253 h1 2 APT 0.0400
3195 H4b1 15.6123 33.1390 8.8229 h1 2 APT 0.0400
3196 H4b2 13.2048 31.5725 9.7863 h1 2 APT 0.0400
3197 H4b3 13.0218 33.2568 10.3368 h1 2 APT 0.0400
3198 H4b4 14.7602 32.4315 9.8410 h1 2 APT 0.0400
3199 C205 18.6679 31.6381 8.5139 c3 2 APT 0.5210
3200 C206 18.9734 31.7145 10.0970 c3 2 APT 0.2280
3201 C207 18.2048 31.7248 11.4746 c3 2 APT 0.2280
3202 C208 19.0434 31.3937 12.7348 c3 2 APT 0.4210
3203 N57 18.1120 31.2633 13.9252 n 2 APT -0.2600
3204 H4b5 19.5363 32.7024 10.1903 hc 2 APT 0.0540
3205 H4b6 19.7607 30.9082 10.2783 hc 2 APT 0.0540
3206 H4b7 17.4466 30.8759 11.5170 hc 2 APT 0.0540
3207 H4b8 17.6458 32.7096 11.6030 hc 2 APT 0.0540
3208 H4b9 19.8274 32.1978 12.9274 hc 2 APT 0.0540
3209 H4ba 19.5598 30.3875 12.5850 hc 2 APT 0.0540
3210 H4bb 17.5814 32.2237 14.0925 hn 2 APT -0.3200
3211 H4bc 18.6888 30.9957 14.8355 hn 2 APT -0.3200
3212 Oad 19.4406 32.7518 7.9789 os 2 APT -0.4440
3213 Oae 17.5135 30.8049 8.3561 os 2 APT -0.4440
3214 C209 20.3185 31.6976 8.6047 c3 2 APT 0.1300
3215 C20a 17.9104 30.1459 9.6520 c3 2 APT 0.1300
3216 H4bd 21.2742 31.5483 8.0043 h1 2 APT 0.0400
3217 H4be 20.5586 32.1297 9.6218 h1 2 APT 0.0400
3218 H4bf 19.8718 30.6720 8.8222 h1 2 APT 0.0400
3219 H4c0 17.4646 29.1096 9.7863 h1 2 APT 0.0400
3220 H4c1 17.2823 30.7978 10.3272 h1 2 APT 0.0400
3221 H4c2 19.0212 29.9726 9.8378 h1 2 APT 0.0400
3222 C20b 22.9276 29.1833 8.5125 c3 2 APT 0.5210
3223 C20c 23.2343 29.2618 10.0953 c3 2 APT 0.2280
3224 C20d 22.4672 29.2771 11.4738 c3 2 APT 0.2280
3225 C20e 23.3022 28.9398 12.7347 c3 2 APT 0.4210
3226 N58 22.3702 28.8151 13.9254 n 2 APT -0.2600
3227 H4c3 23.7981 30.2495 10.1867 hc 2 APT 0.0540
3228 H4c4 24.0205 28.4545 10.2771 hc 2 APT 0.0540
3229 H4c5 21.7064 28.4309 11.5186 hc 2 APT 0.0540
3230 H4c6 21.9108 30.2636 11.6013 hc 2 APT 0.0540
3231 H4c7 24.0920 29.7381 12.9277 hc 2 APT 0.0540
3232 H4c8 23.8112 27.9298 12.5853 hc 2 APT 0.0540
3233 H4c9 21.8415 29.7771 14.0899 hn 2 APT -0.3200
3234 H4ca 22.9463 28.5474 14.8361 hn 2 APT -0.3200
3235 Oaf 23.6980 30.2989 7.9774 os 2 APT -0.4440
3236 Ob0 21.7695 28.3533 8.3614 os 2 APT -0.4440
3237 C20f 24.5770 29.2456 8.6032 c3 2 APT 0.1300
3238 C210 22.1621 27.6970 9.6598 c3 2 APT 0.1300
3239 H4cb 25.5324 29.1005 8.0013 h1 2 APT 0.0400
3240 H4cc 24.8197 29.6754 9.6207 h1 2 APT 0.0400
3241 H4cd 24.1315 28.2190 8.8189 h1 2 APT 0.0400
3242 H4ce 21.7138 26.6620 9.7960 h1 2 APT 0.0400
3243 H4cf 21.5347 28.3533 10.3314 h1 2 APT 0.0400
3244 H4d0 23.2721 27.5198 9.8470 h1 2 APT 0.0400
3245 C211 27.1845 26.7220 8.5144 c3 2 APT 0.5210
3246 C212 27.4852 26.8036 10.0982 c3 2 APT 0.2280
3247 C213 26.7145 26.8147 11.4745 c3 2 APT 0.2280
3248 C214 27.5494 26.4792 12.7369 c3 2 APT 0.4210
3249 N59 26.6221 26.3563 13.9315 n 2 APT -0.2600
3250 H4d1 28.0461 27.7927 10.1926 hc 2 APT 0.0540
3251 H4d2 28.2725 25.9978 10.2818 hc 2 APT 0.0540
3252 H4d3 25.9550 25.9672 11.5141 hc 2 APT 0.0540
3253 H4d4 26.1561 27.7999 11.6027 hc 2 APT 0.0540
3254 H4d5 28.3381 27.2787 12.9291 hc 2 APT 0.0540
3255 H4d6 28.0607 25.4702 12.5879 hc 2 APT 0.0540
3256 H4d7 26.0947 27.3189 14.0968 hn 2 APT -0.3200
3257 H4d8 27.2022 26.0901 14.8402 hn 2 APT -0.3200
3258 Ob1 27.9400 27.8500 7.9845 os 2 APT -0.4440
3259 Ob2 26.0322 25.8866 8.3533 os 2 APT -0.4440
3260 C215 28.8218 26.7979 8.6087 c3 2 APT 0.1300
3261 C216 26.4183 25.2366 9.6567 c3 2 APT 0.1300
3262 H4d9 29.7743 26.6515 8.0026 h1 2 APT 0.0400
3263 H4da 29.0681 27.2288 9.6250 h1 2 APT 0.0400
3264 H4db 28.3801 25.7699 8.8255 h1 2 APT 0.0400
3265 H4dc 25.9711 24.2010 9.7925 h1 2 APT 0.0400
3266 H4dd 25.7869 25.8943 10.3240 h1 2 APT 0.0400
3267 H4de 27.5274 25.0616 9.8510 h1 2 APT 0.0400
3268 C217 31.4280 24.2761 8.5117 c3 2 APT 0.5210
3269 C218 31.7381 24.3506 10.0942 c3 2 APT 0.2280
3270 C219 30.9731 24.3616 11.4740 c3 2 APT 0.2280
3271 C21a 31.8102 24.0237 12.7344 c3 2 APT 0.4210
3272 N5a 30.8838 23.9024 13.9298 n 2 APT -0.2600
3273 H4df 32.3016 25.3384 10.1869 hc 2 APT 0.0540
3274 H4e0 32.5255 23.5442 10.2747 hc 2 APT 0.0540
3275 H4e1 30.2124 23.5155 11.5175 hc 2 APT 0.0540
3276 H4e2 30.4160 25.3474 11.6035 hc 2 APT 0.0540
3277 H4e3 32.6000 24.8222 12.9259 hc 2 APT 0.0540
3278 H4e4 32.3195 23.0138 12.5850 hc 2 APT 0.0540
3279 H4e5 30.3546 24.8644 14.0928 hn 2 APT -0.3200
3280 H4e6 31.4630 23.6382 14.8396 hn 2 APT -0.3200
3281 Ob3 32.2056 25.3907 7.9833 os 2 APT -0.4440
3282 Ob4 30.2794 23.4319 8.3611 os 2 APT -0.4440
3283 C21b 33.0815 24.3334 8.6069 c3 2 APT 0.1300
3284 C21c 30.6735 22.7766 9.6593 c3 2 APT 0.1300
3285 H4e7 34.0370 24.1864 8.0055 h1 2 APT 0.0400
3286 H4e8 33.3252 24.7592 9.6261 h1 2 APT 0.0400
3287 H4e9 32.6340 23.3073 8.8204 h1 2 APT 0.0400
3288 H4ea 30.2260 21.7412 9.7957 h1 2 APT 0.0400
3289 H4eb 30.0452 23.4326 10.3303 h1 2 APT 0.0400
3290 H4ec 31.7839 22.6051 9.8486 h1 2 APT 0.0400
3291 C21d 35.6967 21.8036 8.5119 c3 2 APT 0.5210
3292 C21e 35.9977 21.8890 10.0959 c3 2 APT 0.2280
3293 C21f 35.2302 21.9026 11.4740 c3 2 APT 0.2280
3294 C220 36.0713 21.5737 12.7335 c3 2 APT 0.4210
3295 N5b 35.1427 21.4470 13.9263 n 2 APT -0.2600
3296 H4ed 36.5562 22.8799 10.1865 hc 2 APT 0.0540
3297 H4ee 36.7869 21.0854 10.2806 hc 2 APT 0.0540
3298 H4ef 34.4730 21.0532 11.5200 hc 2 APT 0.0540
3299 H4f0 34.6694 22.8868 11.6000 hc 2 APT 0.0540
3300 H4f1 36.8573 22.3766 12.9234 hc 2 APT 0.0540
3301 H4f2 36.5851 20.5660 12.5848 hc 2 APT 0.0540
3302 H4f3 34.6115 22.4075 14.0915 hn 2 APT -0.3200
3303 H4f4 35.7190 21.1808 14.8373 hn 2 APT -0.3200
3304 Ob5 36.4481 22.9345 7.9811 os 2 APT -0.4440
3305 Ob6 34.5325 20.9829 8.3609 os 2 APT -0.4440
3306 C221 37.3339 21.8847 8.6029 c3 2 APT 0.1300
3307 C222 34.9302 20.3206 9.6557 c3 2 APT 0.1300
3308 H4f5 38.2868 21.7400 7.9969 h1 2 APT 0.0400
3309 H4f6 37.5791 22.3163 9.6190 h1 2 APT 0.0400
3310 H4f7 36.8920 20.8567 8.8198 h1 2 APT 0.0400
3311 H4f8 34.4811 19.2855 9.7890 h1 2 APT 0.0400
3312 H4f9 34.3032 20.9725 10.3319 h1 2 APT 0.0400
3313 H4fa 36.0409 20.1468 9.8429 h1 2 APT 0.0400
3314 C223 40.0243 19.3586 8.5107 c3 2 APT 0.5210
3315 C224 40.3317 19.4381 10.0880 c3 2 APT 0.2280
3316 C225 39.5191 19.4558 11.4512 c3 2 APT 0.2280
3317 C226 40.3266 19.1123 12.7288 c3 2 APT 0.4210
3318 N5c 39.3923 18.9914 13.9192 n 2 APT -0.2600
3319 H4fb 40.9296 20.4036 10.1822 hc 2 APT 0.0540
3320 H4fc 41.0900 18.6059 10.2605 hc 2 APT 0.0540
3321 H4fd 38.7541 18.6133 11.4982 hc 2 APT 0.0540
3322 H4fe 38.9613 20.4427 11.5740 hc 2 APT 0.0540
3323 H4ff 41.1183 19.9065 12.9289 hc 2 APT 0.0540
3324 H500 40.8320 18.1001 12.5828 hc 2 APT 0.0540
3325 H501 38.8660 19.9545 14.0847 hn 2 APT -0.3200
3326 H502 39.9657 18.7211 14.8311 hn 2 APT -0.3200
3327 Ob7 40.8342 20.5126 8.0804 os 2 APT -0.4440
3328 Ob8 38.8198 18.5658 8.3729 os 2 APT -0.4440
3329 C227 42.0207 19.7640 8.6411 c3 2 APT 0.1300
3330 C228 39.1882 17.8755 9.6602 c3 2 APT 0.1300
3331 H503 42.7804 19.5937 7.8119 h1 2 APT 0.0400
3332 H504 42.4842 20.3435 9.5057 h1 2 APT 0.0400
3333 H505 41.6930 18.7321 9.0050 h1 2 APT 0.0400
3334 H506 38.7367 16.8399 9.7809 h1 2 APT 0.0400
3335 H507 38.5546 18.5285 10.3285 h1 2 APT 0.0400
3336 H508 40.2919 17.6931 9.8714 h1 2 APT 0.0400
3337 C229 5.9741 43.9278 8.5071 c3 2 APT 0.5210
3338 C22a 6.2910 43.9990 10.0844 c3 2 APT 0.2280
3339 C22b 5.4841 44.0113 11.4520 c3 2 APT 0.2280
3340 C22c 6.2880 43.6745 12.7348 c3 2 APT 0.4210
3341 N5d 5.3509 43.5588 13.9244 n 2 APT -0.2600
3342 H509 6.8905 44.9633 10.1816 hc 2 APT 0.0540
3343 H50a 7.0496 43.1656 10.2502 hc 2 APT 0.0540
3344 H50b 4.7193 43.1682 11.4948 hc 2 APT 0.0540
3345 H50c 4.9244 44.9968 11.5742 hc 2 APT 0.0540
3346 H50d 7.0785 44.4702 12.9339 hc 2 APT 0.0540
3347 H50e 6.7963 42.6629 12.5942 hc 2 APT 0.0540
3348 H50f 4.8276 44.5241 14.0869 hn 2 APT -0.3200
3349 H510 5.9227 43.2898 14.8377 hn 2 APT -0.3200
3350 Ob9 6.8050 45.0710 8.0806 os 2 APT -0.4440
3351 Oba 4.7815 43.1112 8.3622 os 2 APT -0.4440
3352 C22d 7.9879 44.3229 8.6489 c3 2 APT 0.1300
3353 C22e 5.1446 42.4347 9.6566 c3 2 APT 0.1300
3354 H511 8.7523 44.1533 7.8238 h1 2 APT 0.0400
3355 H512 8.4468 44.9006 9.5172 h1 2 APT 0.0400
3356 H513 7.6577 43.2902 9.0080 h1 2 APT 0.0400
3357 H514 4.6928 41.4007 9.7862 h1 2 APT 0.0400
3358 H515 4.5178 43.0985 10.3208 h1 2 APT 0.0400
3359 H516 6.2494 42.2532 9.8645 h1 2 APT 0.0400
3360 C22f 10.2399 41.4657 8.5113 c3 2 APT 0.5210
3361 C230 10.5506 41.5427 10.0884 c3 2 APT 0.2280
3362 C231 9.7364 41.5592 11.4510 c3 2 APT 0.2280
3363 C232 10.5440 41.2212 12.7302 c3 2 APT 0.4210
3364 N5e 9.6121 41.0955 13.9222 n 2 APT -0.2600
3365 H517 11.1503 42.5068 10.1850 hc 2 APT 0.0540
3366 H518 11.3074 40.7087 10.2595 hc 2 APT 0.0540
3367 H519 8.9726 40.7154 11.4977 hc 2 APT 0.0540
3368 H51a 9.1764 42.5450 11.5716 hc 2 APT 0.0540
3369 H51b 11.3326 42.0187 12.9296 hc 2 APT 0.0540
3370 H51c 11.0547 40.2115 12.5843 hc 2 APT 0.0540
3371 H51d 9.0826 42.0565 14.0893 hn 2 APT -0.3200
3372 H51e 10.1877 40.8266 14.8331 hn 2 APT -0.3200
3373 Obb 11.0563 42.6167 8.0851 os 2 APT -0.4440
3374 Obc 9.0359 40.6714 8.3728 os 2 APT -0.4440
3375 C233 12.2402 41.8655 8.6487 c3 2 APT 0.1300
3376 C234 9.4021 39.9820 9.6609 c3 2 APT 0.1300
3377 H51f 13.0041 41.6989 7.8226 h1 2 APT 0.0400
3378 H520 12.7006 42.4405 9.5179 h1 2 APT 0.0400
3379 H521 11.9115 40.8315 9.0061 h1 2 APT 0.0400
3380 H522 8.9475 38.9479 9.7822 h1 2 APT 0.0400
3381 H523 8.7694 40.6376 10.3276 h1 2 APT 0.0400
3382 H524 10.5058 39.7979 9.8710 h1 2 APT 0.0400
3383 C235 14.4993 39.0077 8.5087 c3 2 APT 0.5210
3384 C236 14.8074 39.0839 10.0863 c3 2 APT 0.2280
3385 C237 13.9958 39.1029 11.4505 c3 2 APT 0.2280
3386 C238 14.8006 38.7652 12.7319 c3 2 APT 0.4210
3387 N5f 13.8658 38.6430 13.9223 n 2 APT -0.2600
3388 H525 15.4044 40.0497 10.1816 hc 2 APT 0.0540
3389 H526 15.5669 38.2524 10.2574 hc 2 APT 0.0540
3390 H527 13.2304 38.2606 11.4965 hc 2 APT 0.0540
3391 H528 13.4378 40.0897 11.5711 hc 2 APT 0.0540
3392 H529 15.5896 39.5620 12.9319 hc 2 APT 0.0540
3393 H52a 15.3104 37.7547 12.5892 hc 2 APT 0.0540
3394 H52b 13.3410 39.6067 14.0894 hn 2 APT -0.3200
3395 H52c 14.4395 38.3711 14.8335 hn 2 APT -0.3200
3396 Obd 15.3174 40.1560 8.0783 os 2 APT -0.4440
3397 Obe 13.2977 38.2109 8.3683 os 2 APT -0.4440
3398 C239 16.5030 39.4127 8.6476 c3 2 APT 0.1300
3399 C23a 13.6661 37.5232 9.6564 c3 2 APT 0.1300
3400 H52d 17.2674 39.2441 7.8223 h1 2 APT 0.0400
3401 H52e 16.9604 39.9937 9.5145 h1 2 APT 0.0400
3402 H52f 16.1765 38.3797 9.0093 h1 2 APT 0.0400
3403 H530 13.2122 36.4889 9.7784 h1 2 APT 0.0400
3404 H531 13.0348 38.1783 10.3246 h1 2 APT 0.0400
3405 H532 14.7704 37.3392 9.8641 h1 2 APT 0.0400
3406 C23b 18.7507 36.5537 8.5080 c3 2 APT 0.5210
3407 C23c 19.0593 36.6306 10.0861 c3 2 APT 0.2280
3408 C23d 18.2449 36.6481 11.4491 c3 2 APT 0.2280
3409 C23e 19.0476 36.3045 12.7305 c3 2 APT 0.4210
3410 N60 18.1139 36.1750 13.9207 n 2 APT -0.2600
3411 H533 19.6601 37.5939 10.1832 hc 2 APT 0.0540
3412 H534 19.8162 35.7968 10.2579 hc 2 APT 0.0540
3413 H535 17.4782 35.8066 11.4898 hc 2 APT 0.0540
3414 H536 17.6874 37.6351 11.5716 hc 2 APT 0.0540
3415 H537 19.8353 37.1017 12.9343 hc 2 APT 0.0540
3416 H538 19.5596 35.2957 12.5838 hc 2 APT 0.0540
3417 H539 17.5841 37.1357 14.0888 hn 2 APT -0.3200
3418 H53a 18.6900 35.9062 14.8314 hn 2 APT -0.3200
3419 Obf 19.5681 37.7014 8.0767 os 2 APT -0.4440
3420 Oc0 17.5576 35.7457 8.3576 os 2 APT -0.4440
3421 C23f 20.7530 36.9565 8.6457 c3 2 APT 0.1300
3422 C240 17.9178 35.0690 9.6533 c3 2 APT 0.1300
3423 H53b 21.5125 36.7786 7.8179 h1 2 APT 0.0400
3424 H53c 21.2168 37.5428 9.5055 h1 2 APT 0.0400
3425 H53d 20.4273 35.9265 9.0163 h1 2 APT 0.0400
3426 H53e 17.4592 34.0376 9.7820 h1 2 APT 0.0400
3427 H53f 17.2880 35.7329 10.3145 h1 2 APT 0.0400
3428 H540 19.0215 34.8841 9.8635 h1 2 APT 0.0400
3429 C241 23.0002 34.0999 8.5092 c3 2 APT 0.5210
3430 C242 23.3144 34.1707 10.0859 c3 2 APT 0.2280
3431 C243 22.5025 34.1922 11.4500 c3 2 APT 0.2280
3432 C244 23.3056 33.8540 12.7325 c3 2 APT 0.4210
3433 N61 22.3731 33.7254 13.9239 n 2 APT -0.2600
3434 H541 23.9180 35.1322 10.1825 hc 2 APT 0.0540
3435 H542 24.0687 33.3341 10.2554 hc 2 APT 0.0540
3436 H543 21.7359 33.3508 11.4926 hc 2 APT 0.0540
3437 H544 21.9460 35.1799 11.5701 hc 2 APT 0.0540
3438 H545 24.0936 34.6513 12.9353 hc 2 APT 0.0540
3439 H546 23.8168 32.8447 12.5867 hc 2 APT 0.0540
3440 H547 21.8450 34.6868 14.0930 hn 2 APT -0.3200
3441 H548 22.9477 33.4536 14.8347 hn 2 APT -0.3200
3442 Oc1 23.8235 35.2443 8.0776 os 2 APT -0.4440
3443 Oc2 21.8113 33.2846 8.3604 os 2 APT -0.4440
3444 C245 25.0074 34.4931 8.6409 c3 2 APT 0.1300
3445 C246 22.1679 32.6123 9.6596 c3 2 APT 0.1300
3446 H549 25.7680 34.3199 7.8130 h1 2 APT 0.0400
3447 H54a 25.4709 35.0723 9.5057 h1 2 APT 0.0400
3448 H54b 24.6771 33.4622 9.0054 h1 2 APT 0.0400
3449 H54c 21.7086 31.5816 9.7916 h1 2 APT 0.0400
3450 H54d 21.5383 33.2799 10.3178 h1 2 APT 0.0400
3451 H54e 23.2703 32.4239 9.8724 h1 2 APT 0.0400
3452 C247 27.2621 31.6406 8.5110 c3 2 APT 0.5210
3453 C248 27.5715 31.7199 10.0888 c3 2 APT 0.2280
3454 C249 26.7593 31.7333 11.4532 c3 2 APT 0.2280
3455 C24a 27.5645 31.3966 12.7350 c3 2 APT 0.4210
3456 N62 26.6333 31.2725 13.9281 n 2 APT -0.2600
3457 H54f 28.1685 32.6859 10.1840 hc 2 APT 0.0540
3458 H550 28.3313 30.8886 10.2596 hc 2 APT 0.0540
3459 H551 25.9966 30.8885 11.4980 hc 2 APT 0.0540
3460 H552 26.1974 32.7179 11.5738 hc 2 APT 0.0540
3461 H553 28.3530 32.1940 12.9349 hc 2 APT 0.0540
3462 H554 28.0756 30.3869 12.5911 hc 2 APT 0.0540
3463 H555 26.1014 32.2325 14.0937 hn 2 APT -0.3200
3464 H556 27.2103 31.0073 14.8393 hn 2 APT -0.3200
3465 Oc3 28.0737 32.7930 8.0810 os 2 APT -0.4440
3466 Oc4 26.0600 30.8447 8.3713 os 2 APT -0.4440
3467 C24b 29.2576 32.0418 8.6436 c3 2 APT 0.1300
3468 C24c 26.4288 30.1575 9.6594 c3 2 APT 0.1300
3469 H557 30.0198 31.8729 7.8164 h1 2 APT 0.0400
3470 H558 29.7192 32.6177 9.5116 h1 2 APT 0.0400
3471 H559 28.9281 31.0087 9.0028 h1 2 APT 0.0400
3472 H55a 25.9751 29.1230 9.7809 h1 2 APT 0.0400
3473 H55b 25.7964 30.8130 10.3264 h1 2 APT 0.0400
3474 H55c 27.5335 29.9754 9.8666 h1 2 APT 0.0400
3475 C24d 31.5128 29.1849 8.5079 c3 2 APT 0.5210
3476 C24e 31.8214 29.2609 10.0854 c3 2 APT 0.2280
3477 C24f 31.0110 29.2759 11.4502 c3 2 APT 0.2280
3478 C250 31.8174 28.9387 12.7304 c3 2 APT 0.4210
3479 N63 30.8832 28.8087 13.9202 n 2 APT -0.2600
3480 H55d 32.4187 30.2265 10.1813 hc 2 APT 0.0540
3481 H55e 32.5813 28.4296 10.2560 hc 2 APT 0.0540
3482 H55f 30.2492 28.4302 11.4961 hc 2 APT 0.0540
3483 H560 30.4485 30.2600 11.5713 hc 2 APT 0.0540
3484 H561 32.6034 29.7379 12.9333 hc 2 APT 0.0540
3485 H562 32.3302 27.9302 12.5844 hc 2 APT 0.0540
3486 H563 30.3538 29.7696 14.0889 hn 2 APT -0.3200
3487 H564 31.4590 28.5393 14.8308 hn 2 APT -0.3200
3488 Oc5 32.3320 30.3345 8.0829 os 2 APT -0.4440
3489 Oc6 30.3125 28.3862 8.3709 os 2 APT -0.4440
3490 C251 33.5121 29.5787 8.6468 c3 2 APT 0.1300
3491 C252 30.6791 27.7014 9.6611 c3 2 APT 0.1300
3492 H565 34.2750 29.4098 7.8203 h1 2 APT 0.0400
3493 H566 33.9737 30.1524 9.5163 h1 2 APT 0.0400
3494 H567 33.1791 28.5456 9.0027 h1 2 APT 0.0400
3495 H568 30.2215 26.6690 9.7849 h1 2 APT 0.0400
3496 H569 30.0454 28.3593 10.3248 h1 2 APT 0.0400
3497 H56a 31.7824 27.5155 9.8727 h1 2 APT 0.0400
3498 C253 35.7646 26.7301 8.5070 c3 2 APT 0.5210
3499 C254 36.0754 26.8004 10.0838 c3 2 APT 0.2280
3500 C255 35.2657 26.8176 11.4489 c3 2 APT 0.2280
3501 C256 36.0724 26.4774 12.7282 c3 2 APT 0.4210
3502 N64 35.1384 26.3517 13.9183 n 2 APT -0.2600
3503 H56b 36.6747 27.7646 10.1807 hc 2 APT 0.0540
3504 H56c 36.8342 25.9677 10.2524 hc 2 APT 0.0540
3505 H56d 34.4992 25.9763 11.4949 hc 2 APT 0.0540
3506 H56e 34.7086 27.8047 11.5713 hc 2 APT 0.0540
3507 H56f 36.8600 27.2751 12.9305 hc 2 APT 0.0540
3508 H570 36.5832 25.4677 12.5831 hc 2 APT 0.0540
3509 H571 34.6099 27.3135 14.0839 hn 2 APT -0.3200
3510 H572 35.7135 26.0848 14.8302 hn 2 APT -0.3200
3511 Oc7 36.5893 27.8773 8.0857 os 2 APT -0.4440
3512 Oc8 34.5643 25.9311 8.3659 os 2 APT -0.4440
3513 C257 37.7748 27.1277 8.6477 c3 2 APT 0.1300
3514 C258 34.9333 25.2439 9.6545 c3 2 APT 0.1300
3515 H573 38.5378 26.9596 7.8210 h1 2 APT 0.0400
3516 H574 38.2350 27.7044 9.5160 h1 2 APT 0.0400
3517 H575 37.4454 26.0946 9.0064 h1 2 APT 0.0400
3518 H576 34.4790 24.2102 9.7800 h1 2 APT 0.0400
3519 H577 34.3022 25.8995 10.3226 h1 2 APT 0.0400
3520 H578 36.0372 25.0570 9.8614 h1 2 APT 0.0400
@<TRIPOS>BOND
1 1 5 1
2 1 7 1
3 2 9 1
4 2 10 1
5 3 5 1
6 3 11 1
7 4 6 1
8 4 8 1
9 4 9 1
10 4 12 1
11 6 1221 1
12 7 95 1
13 8 95 1
14 10 191 1
15 11 191 1
16 13 15 1
17 13 1121 1
18 14 15 1
19 14 1124 1
20 15 18 1
21 15 19 1
22 16 17 1
23 16 20 1
24 17 1131 1
25 18 1132 1
26 19 29 1
27 20 29 1
28 21 1132 1
29 22 24 1
30 22 1036 1
31 23 25 1
32 23 1032 1
33 24 41 1
34 25 41 1
35 26 1031 1
36 27 30 1
37 27 1194 1
38 28 30 1
39 28 1196 1
40 29 33 1
41 29 35 1
42 30 37 1
43 30 38 1
44 31 33 1
45 31 39 1
46 32 34 1
47 32 36 1
48 32 37 1
49 32 40 1
50 34 1244 1
51 35 1203 1
52 36 1203 1
53 38 1212 1
54 39 1212 1
55 41 45 1
56 41 47 1
57 42 49 1
58 42 50 1
59 43 45 1
60 43 51 1
61 44 46 1
62 44 48 1
63 44 49 1
64 44 52 1
65 46 1267 1
66 47 53 1
67 48 53 1
68 50 1211 1
69 51 1211 1
70 53 55 1
71 53 56 1
72 54 57 1
73 54 1136 1
74 55 1135 1
75 56 1213 1
76 57 1213 1
77 58 1135 1
78 59 61 1
79 59 1143 1
80 60 1141 1
81 60 1214 1
82 61 1214 1
83 62 64 1
84 62 1152 1
85 63 1150 1
86 63 1215 1
87 64 1215 1
88 65 67 1
89 65 1161 1
90 66 1159 1
91 66 1216 1
92 67 1216 1
93 68 70 1
94 68 1170 1
95 69 1168 1
96 69 1217 1
97 70 1217 1
98 71 73 1
99 71 1179 1
100 72 1177 1
101 72 1218 1
102 73 1218 1
103 74 76 1
104 74 1188 1
105 75 1186 1
106 75 1219 1
107 76 1219 1
108 77 79 1
109 77 1197 1
110 78 1195 1
111 78 1220 1
112 79 1220 1
113 80 83 1
114 80 178 1
115 81 83 1
116 81 181 1
117 82 86 1
118 82 88 1
119 83 90 1
120 83 91 1
121 84 86 1
122 84 92 1
123 85 87 1
124 85 89 1
125 85 90 1
126 85 93 1
127 87 1290 1
128 88 1201 1
129 89 1201 1
130 91 188 1
131 92 188 1
132 94 98 1
133 94 100 1
134 95 102 1
135 95 103 1
136 96 98 1
137 96 104 1
138 97 99 1
139 97 101 1
140 97 102 1
141 97 105 1
142 99 1313 1
143 100 107 1
144 101 107 1
145 103 203 1
146 104 203 1
147 106 110 1
148 106 112 1
149 107 114 1
150 107 115 1
151 108 110 1
152 108 116 1
153 109 111 1
154 109 113 1
155 109 114 1
156 109 117 1
157 111 1336 1
158 112 119 1
159 113 119 1
160 115 215 1
161 116 215 1
162 118 122 1
163 118 124 1
164 119 126 1
165 119 127 1
166 120 122 1
167 120 128 1
168 121 123 1
169 121 125 1
170 121 126 1
171 121 129 1
172 123 1359 1
173 124 131 1
174 125 131 1
175 127 227 1
176 128 227 1
177 130 134 1
178 130 136 1
179 131 138 1
180 131 139 1
181 132 134 1
182 132 140 1
183 133 135 1
184 133 137 1
185 133 138 1
186 133 141 1
187 135 1382 1
188 136 143 1
189 137 143 1
190 139 239 1
191 140 239 1
192 142 146 1
193 142 148 1
194 143 150 1
195 143 151 1
196 144 146 1
197 144 152 1
198 145 147 1
199 145 149 1
200 145 150 1
201 145 153 1
202 147 1405 1
203 148 155 1
204 149 155 1
205 151 251 1
206 152 251 1
207 154 158 1
208 154 160 1
209 155 162 1
210 155 163 1
211 156 158 1
212 156 164 1
213 157 159 1
214 157 161 1
215 157 162 1
216 157 165 1
217 159 1428 1
218 160 167 1
219 161 167 1
220 163 263 1
221 164 263 1
222 166 170 1
223 166 172 1
224 167 174 1
225 167 175 1
226 168 170 1
227 168 176 1
228 169 171 1
229 169 173 1
230 169 174 1
231 169 177 1
232 171 1451 1
233 172 179 1
234 173 179 1
235 175 275 1
236 176 275 1
237 178 182 1
238 179 184 1
239 179 185 1
240 180 182 1
241 180 186 1
242 181 183 1
243 181 184 1
244 181 187 1
245 183 1474 1
246 185 287 1
247 186 287 1
248 188 189 1
249 188 302 1
250 189 1204 1
251 190 301 1
252 190 1204 1
253 191 195 1
254 191 197 1
255 192 199 1
256 192 200 1
257 193 195 1
258 193 201 1
259 194 196 1
260 194 198 1
261 194 199 1
262 194 202 1
263 196 1497 1
264 197 204 1
265 198 204 1
266 200 310 1
267 201 310 1
268 203 207 1
269 203 209 1
270 204 211 1
271 204 212 1
272 205 207 1
273 205 213 1
274 206 208 1
275 206 210 1
276 206 211 1
277 206 214 1
278 208 1520 1
279 209 216 1
280 210 216 1
281 212 322 1
282 213 322 1
283 215 219 1
284 215 221 1
285 216 223 1
286 216 224 1
287 217 219 1
288 217 225 1
289 218 220 1
290 218 222 1
291 218 223 1
292 218 226 1
293 220 1543 1
294 221 228 1
295 222 228 1
296 224 334 1
297 225 334 1
298 227 231 1
299 227 233 1
300 228 235 1
301 228 236 1
302 229 231 1
303 229 237 1
304 230 232 1
305 230 234 1
306 230 235 1
307 230 238 1
308 232 1566 1
309 233 240 1
310 234 240 1
311 236 346 1
312 237 346 1
313 239 243 1
314 239 245 1
315 240 247 1
316 240 248 1
317 241 243 1
318 241 249 1
319 242 244 1
320 242 246 1
321 242 247 1
322 242 250 1
323 244 1589 1
324 245 252 1
325 246 252 1
326 248 358 1
327 249 358 1
328 251 255 1
329 251 257 1
330 252 259 1
331 252 260 1
332 253 255 1
333 253 261 1
334 254 256 1
335 254 258 1
336 254 259 1
337 254 262 1
338 256 1612 1
339 257 264 1
340 258 264 1
341 260 370 1
342 261 370 1
343 263 267 1
344 263 269 1
345 264 271 1
346 264 272 1
347 265 267 1
348 265 273 1
349 266 268 1
350 266 270 1
351 266 271 1
352 266 274 1
353 268 1635 1
354 269 276 1
355 270 276 1
356 272 382 1
357 273 382 1
358 275 279 1
359 275 281 1
360 276 283 1
361 276 284 1
362 277 279 1
363 277 285 1
364 278 280 1
365 278 282 1
366 278 283 1
367 278 286 1
368 280 1658 1
369 281 288 1
370 282 288 1
371 284 394 1
372 285 394 1
373 287 291 1
374 287 293 1
375 288 295 1
376 288 296 1
377 289 291 1
378 289 297 1
379 290 292 1
380 290 294 1
381 290 295 1
382 290 298 1
383 292 1681 1
384 293 299 1
385 294 299 1
386 296 406 1
387 297 406 1
388 299 304 1
389 299 305 1
390 300 302 1
391 300 306 1
392 301 303 1
393 301 304 1
394 301 307 1
395 303 1704 1
396 305 418 1
397 306 418 1
398 308 418 1
399 308 1205 1
400 309 421 1
401 309 1205 1
402 310 314 1
403 310 316 1
404 311 318 1
405 311 319 1
406 312 314 1
407 312 320 1
408 313 315 1
409 313 317 1
410 313 318 1
411 313 321 1
412 315 1727 1
413 316 323 1
414 317 323 1
415 319 430 1
416 320 430 1
417 322 326 1
418 322 328 1
419 323 330 1
420 323 331 1
421 324 326 1
422 324 332 1
423 325 327 1
424 325 329 1
425 325 330 1
426 325 333 1
427 327 1750 1
428 328 335 1
429 329 335 1
430 331 442 1
431 332 442 1
432 334 338 1
433 334 340 1
434 335 342 1
435 335 343 1
436 336 338 1
437 336 344 1
438 337 339 1
439 337 341 1
440 337 342 1
441 337 345 1
442 339 1773 1
443 340 347 1
444 341 347 1
445 343 454 1
446 344 454 1
447 346 350 1
448 346 352 1
449 347 354 1
450 347 355 1
451 348 350 1
452 348 356 1
453 349 351 1
454 349 353 1
455 349 354 1
456 349 357 1
457 351 1796 1
458 352 359 1
459 353 359 1
460 355 466 1
461 356 466 1
462 358 362 1
463 358 364 1
464 359 366 1
465 359 367 1
466 360 362 1
467 360 368 1
468 361 363 1
469 361 365 1
470 361 366 1
471 361 369 1
472 363 1819 1
473 364 371 1
474 365 371 1
475 367 478 1
476 368 478 1
477 370 374 1
478 370 376 1
479 371 378 1
480 371 379 1
481 372 374 1
482 372 380 1
483 373 375 1
484 373 377 1
485 373 378 1
486 373 381 1
487 375 1842 1
488 376 383 1
489 377 383 1
490 379 490 1
491 380 490 1
492 382 386 1
493 382 388 1
494 383 390 1
495 383 391 1
496 384 386 1
497 384 392 1
498 385 387 1
499 385 389 1
500 385 390 1
501 385 393 1
502 387 1865 1
503 388 395 1
504 389 395 1
505 391 502 1
506 392 502 1
507 394 398 1
508 394 400 1
509 395 402 1
510 395 403 1
511 396 398 1
512 396 404 1
513 397 399 1
514 397 401 1
515 397 402 1
516 397 405 1
517 399 1888 1
518 400 407 1
519 401 407 1
520 403 514 1
521 404 514 1
522 406 410 1
523 406 412 1
524 407 414 1
525 407 415 1
526 408 410 1
527 408 416 1
528 409 411 1
529 409 413 1
530 409 414 1
531 409 417 1
532 411 1911 1
533 412 419 1
534 413 419 1
535 415 526 1
536 416 526 1
537 418 422 1
538 419 424 1
539 419 425 1
540 420 422 1
541 420 426 1
542 421 423 1
543 421 424 1
544 421 427 1
545 423 1934 1
546 425 538 1
547 426 538 1
548 428 538 1
549 428 1206 1
550 429 541 1
551 429 1206 1
552 430 434 1
553 430 436 1
554 431 438 1
555 431 439 1
556 432 434 1
557 432 440 1
558 433 435 1
559 433 437 1
560 433 438 1
561 433 441 1
562 435 1957 1
563 436 443 1
564 437 443 1
565 439 550 1
566 440 550 1
567 442 446 1
568 442 448 1
569 443 450 1
570 443 451 1
571 444 446 1
572 444 452 1
573 445 447 1
574 445 449 1
575 445 450 1
576 445 453 1
577 447 1980 1
578 448 455 1
579 449 455 1
580 451 562 1
581 452 562 1
582 454 458 1
583 454 460 1
584 455 462 1
585 455 463 1
586 456 458 1
587 456 464 1
588 457 459 1
589 457 461 1
590 457 462 1
591 457 465 1
592 459 2003 1
593 460 467 1
594 461 467 1
595 463 574 1
596 464 574 1
597 466 470 1
598 466 472 1
599 467 474 1
600 467 475 1
601 468 470 1
602 468 476 1
603 469 471 1
604 469 473 1
605 469 474 1
606 469 477 1
607 471 2026 1
608 472 479 1
609 473 479 1
610 475 586 1
611 476 586 1
612 478 482 1
613 478 484 1
614 479 486 1
615 479 487 1
616 480 482 1
617 480 488 1
618 481 483 1
619 481 485 1
620 481 486 1
621 481 489 1
622 483 2049 1
623 484 491 1
624 485 491 1
625 487 598 1
626 488 598 1
627 490 494 1
628 490 496 1
629 491 498 1
630 491 499 1
631 492 494 1
632 492 500 1
633 493 495 1
634 493 497 1
635 493 498 1
636 493 501 1
637 495 2072 1
638 496 503 1
639 497 503 1
640 499 610 1
641 500 610 1
642 502 506 1
643 502 508 1
644 503 510 1
645 503 511 1
646 504 506 1
647 504 512 1
648 505 507 1
649 505 509 1
650 505 510 1
651 505 513 1
652 507 2095 1
653 508 515 1
654 509 515 1
655 511 622 1
656 512 622 1
657 514 518 1
658 514 520 1
659 515 522 1
660 515 523 1
661 516 518 1
662 516 524 1
663 517 519 1
664 517 521 1
665 517 522 1
666 517 525 1
667 519 2118 1
668 520 527 1
669 521 527 1
670 523 634 1
671 524 634 1
672 526 530 1
673 526 532 1
674 527 534 1
675 527 535 1
676 528 530 1
677 528 536 1
678 529 531 1
679 529 533 1
680 529 534 1
681 529 537 1
682 531 2141 1
683 532 539 1
684 533 539 1
685 535 646 1
686 536 646 1
687 538 542 1
688 539 544 1
689 539 545 1
690 540 542 1
691 540 546 1
692 541 543 1
693 541 544 1
694 541 547 1
695 543 2164 1
696 545 658 1
697 546 658 1
698 548 658 1
699 548 1207 1
700 549 661 1
701 549 1207 1
702 550 554 1
703 550 556 1
704 551 558 1
705 551 559 1
706 552 554 1
707 552 560 1
708 553 555 1
709 553 557 1
710 553 558 1
711 553 561 1
712 555 2187 1
713 556 563 1
714 557 563 1
715 559 670 1
716 560 670 1
717 562 566 1
718 562 568 1
719 563 570 1
720 563 571 1
721 564 566 1
722 564 572 1
723 565 567 1
724 565 569 1
725 565 570 1
726 565 573 1
727 567 2210 1
728 568 575 1
729 569 575 1
730 571 682 1
731 572 682 1
732 574 578 1
733 574 580 1
734 575 582 1
735 575 583 1
736 576 578 1
737 576 584 1
738 577 579 1
739 577 581 1
740 577 582 1
741 577 585 1
742 579 2233 1
743 580 587 1
744 581 587 1
745 583 694 1
746 584 694 1
747 586 590 1
748 586 592 1
749 587 594 1
750 587 595 1
751 588 590 1
752 588 596 1
753 589 591 1
754 589 593 1
755 589 594 1
756 589 597 1
757 591 2256 1
758 592 599 1
759 593 599 1
760 595 706 1
761 596 706 1
762 598 602 1
763 598 604 1
764 599 606 1
765 599 607 1
766 600 602 1
767 600 608 1
768 601 603 1
769 601 605 1
770 601 606 1
771 601 609 1
772 603 2279 1
773 604 611 1
774 605 611 1
775 607 718 1
776 608 718 1
777 610 614 1
778 610 616 1
779 611 618 1
780 611 619 1
781 612 614 1
782 612 620 1
783 613 615 1
784 613 617 1
785 613 618 1
786 613 621 1
787 615 2302 1
788 616 623 1
789 617 623 1
790 619 730 1
791 620 730 1
792 622 626 1
793 622 628 1
794 623 630 1
795 623 631 1
796 624 626 1
797 624 632 1
798 625 627 1
799 625 629 1
800 625 630 1
801 625 633 1
802 627 2325 1
803 628 635 1
804 629 635 1
805 631 742 1
806 632 742 1
807 634 638 1
808 634 640 1
809 635 642 1
810 635 643 1
811 636 638 1
812 636 644 1
813 637 639 1
814 637 641 1
815 637 642 1
816 637 645 1
817 639 2348 1
818 640 647 1
819 641 647 1
820 643 754 1
821 644 754 1
822 646 650 1
823 646 652 1
824 647 654 1
825 647 655 1
826 648 650 1
827 648 656 1
828 649 651 1
829 649 653 1
830 649 654 1
831 649 657 1
832 651 2371 1
833 652 659 1
834 653 659 1
835 655 766 1
836 656 766 1
837 658 662 1
838 659 664 1
839 659 665 1
840 660 662 1
841 660 666 1
842 661 663 1
843 661 664 1
844 661 667 1
845 663 2394 1
846 665 778 1
847 666 778 1
848 668 778 1
849 668 1208 1
850 669 781 1
851 669 1208 1
852 670 674 1
853 670 676 1
854 671 678 1
855 671 679 1
856 672 674 1
857 672 680 1
858 673 675 1
859 673 677 1
860 673 678 1
861 673 681 1
862 675 2417 1
863 676 683 1
864 677 683 1
865 679 790 1
866 680 790 1
867 682 686 1
868 682 688 1
869 683 690 1
870 683 691 1
871 684 686 1
872 684 692 1
873 685 687 1
874 685 689 1
875 685 690 1
876 685 693 1
877 687 2440 1
878 688 695 1
879 689 695 1
880 691 802 1
881 692 802 1
882 694 698 1
883 694 700 1
884 695 702 1
885 695 703 1
886 696 698 1
887 696 704 1
888 697 699 1
889 697 701 1
890 697 702 1
891 697 705 1
892 699 2463 1
893 700 707 1
894 701 707 1
895 703 814 1
896 704 814 1
897 706 710 1
898 706 712 1
899 707 714 1
900 707 715 1
901 708 710 1
902 708 716 1
903 709 711 1
904 709 713 1
905 709 714 1
906 709 717 1
907 711 2486 1
908 712 719 1
909 713 719 1
910 715 826 1
911 716 826 1
912 718 722 1
913 718 724 1
914 719 726 1
915 719 727 1
916 720 722 1
917 720 728 1
918 721 723 1
919 721 725 1
920 721 726 1
921 721 729 1
922 723 2509 1
923 724 731 1
924 725 731 1
925 727 838 1
926 728 838 1
927 730 734 1
928 730 736 1
929 731 738 1
930 731 739 1
931 732 734 1
932 732 740 1
933 733 735 1
934 733 737 1
935 733 738 1
936 733 741 1
937 735 2532 1
938 736 743 1
939 737 743 1
940 739 850 1
941 740 850 1
942 742 746 1
943 742 748 1
944 743 750 1
945 743 751 1
946 744 746 1
947 744 752 1
948 745 747 1
949 745 749 1
950 745 750 1
951 745 753 1
952 747 2555 1
953 748 755 1
954 749 755 1
955 751 862 1
956 752 862 1
957 754 758 1
958 754 760 1
959 755 762 1
960 755 763 1
961 756 758 1
962 756 764 1
963 757 759 1
964 757 761 1
965 757 762 1
966 757 765 1
967 759 2578 1
968 760 767 1
969 761 767 1
970 763 874 1
971 764 874 1
972 766 770 1
973 766 772 1
974 767 774 1
975 767 775 1
976 768 770 1
977 768 776 1
978 769 771 1
979 769 773 1
980 769 774 1
981 769 777 1
982 771 2601 1
983 772 779 1
984 773 779 1
985 775 886 1
986 776 886 1
987 778 782 1
988 779 784 1
989 779 785 1
990 780 782 1
991 780 786 1
992 781 783 1
993 781 784 1
994 781 787 1
995 783 2624 1
996 785 898 1
997 786 898 1
998 788 898 1
999 788 1209 1
1000 789 901 1
1001 789 1209 1
1002 790 794 1
1003 790 796 1
1004 791 798 1
1005 791 799 1
1006 792 794 1
1007 792 800 1
1008 793 795 1
1009 793 797 1
1010 793 798 1
1011 793 801 1
1012 795 2647 1
1013 796 803 1
1014 797 803 1
1015 799 910 1
1016 800 910 1
1017 802 806 1
1018 802 808 1
1019 803 810 1
1020 803 811 1
1021 804 806 1
1022 804 812 1
1023 805 807 1
1024 805 809 1
1025 805 810 1
1026 805 813 1
1027 807 2670 1
1028 808 815 1
1029 809 815 1
1030 811 922 1
1031 812 922 1
1032 814 818 1
1033 814 820 1
1034 815 822 1
1035 815 823 1
1036 816 818 1
1037 816 824 1
1038 817 819 1
1039 817 821 1
1040 817 822 1
1041 817 825 1
1042 819 2693 1
1043 820 827 1
1044 821 827 1
1045 823 934 1
1046 824 934 1
1047 826 830 1
1048 826 832 1
1049 827 834 1
1050 827 835 1
1051 828 830 1
1052 828 836 1
1053 829 831 1
1054 829 833 1
1055 829 834 1
1056 829 837 1
1057 831 2716 1
1058 832 839 1
1059 833 839 1
1060 835 946 1
1061 836 946 1
1062 838 842 1
1063 838 844 1
1064 839 846 1
1065 839 847 1
1066 840 842 1
1067 840 848 1
1068 841 843 1
1069 841 845 1
1070 841 846 1
1071 841 849 1
1072 843 2739 1
1073 844 851 1
1074 845 851 1
1075 847 958 1
1076 848 958 1
1077 850 854 1
1078 850 856 1
1079 851 858 1
1080 851 859 1
1081 852 854 1
1082 852 860 1
1083 853 855 1
1084 853 857 1
1085 853 858 1
1086 853 861 1
1087 855 2762 1
1088 856 863 1
1089 857 863 1
1090 859 970 1
1091 860 970 1
1092 862 866 1
1093 862 868 1
1094 863 870 1
1095 863 871 1
1096 864 866 1
1097 864 872 1
1098 865 867 1
1099 865 869 1
1100 865 870 1
1101 865 873 1
1102 867 2785 1
1103 868 875 1
1104 869 875 1
1105 871 982 1
1106 872 982 1
1107 874 878 1
1108 874 880 1
1109 875 882 1
1110 875 883 1
1111 876 878 1
1112 876 884 1
1113 877 879 1
1114 877 881 1
1115 877 882 1
1116 877 885 1
1117 879 2808 1
1118 880 887 1
1119 881 887 1
1120 883 994 1
1121 884 994 1
1122 886 890 1
1123 886 892 1
1124 887 894 1
1125 887 895 1
1126 888 890 1
1127 888 896 1
1128 889 891 1
1129 889 893 1
1130 889 894 1
1131 889 897 1
1132 891 2831 1
1133 892 899 1
1134 893 899 1
1135 895 1006 1
1136 896 1006 1
1137 898 902 1
1138 899 904 1
1139 899 905 1
1140 900 902 1
1141 900 906 1
1142 901 903 1
1143 901 904 1
1144 901 907 1
1145 903 2854 1
1146 905 1018 1
1147 906 1018 1
1148 908 1018 1
1149 908 1210 1
1150 909 1021 1
1151 909 1210 1
1152 910 914 1
1153 910 916 1
1154 911 918 1
1155 911 919 1
1156 912 914 1
1157 912 920 1
1158 913 915 1
1159 913 917 1
1160 913 918 1
1161 913 921 1
1162 915 2877 1
1163 916 923 1
1164 917 923 1
1165 919 1030 1
1166 920 1030 1
1167 922 926 1
1168 922 928 1
1169 923 930 1
1170 923 931 1
1171 924 926 1
1172 924 932 1
1173 925 927 1
1174 925 929 1
1175 925 930 1
1176 925 933 1
1177 927 2900 1
1178 928 935 1
1179 929 935 1
1180 931 1037 1
1181 932 1037 1
1182 934 938 1
1183 934 940 1
1184 935 942 1
1185 935 943 1
1186 936 938 1
1187 936 944 1
1188 937 939 1
1189 937 941 1
1190 937 942 1
1191 937 945 1
1192 939 2923 1
1193 940 947 1
1194 941 947 1
1195 943 1049 1
1196 944 1049 1
1197 946 950 1
1198 946 952 1
1199 947 954 1
1200 947 955 1
1201 948 950 1
1202 948 956 1
1203 949 951 1
1204 949 953 1
1205 949 954 1
1206 949 957 1
1207 951 2946 1
1208 952 959 1
1209 953 959 1
1210 955 1061 1
1211 956 1061 1
1212 958 962 1
1213 958 964 1
1214 959 966 1
1215 959 967 1
1216 960 962 1
1217 960 968 1
1218 961 963 1
1219 961 965 1
1220 961 966 1
1221 961 969 1
1222 963 2969 1
1223 964 971 1
1224 965 971 1
1225 967 1073 1
1226 968 1073 1
1227 970 974 1
1228 970 976 1
1229 971 978 1
1230 971 979 1
1231 972 974 1
1232 972 980 1
1233 973 975 1
1234 973 977 1
1235 973 978 1
1236 973 981 1
1237 975 2992 1
1238 976 983 1
1239 977 983 1
1240 979 1085 1
1241 980 1085 1
1242 982 986 1
1243 982 988 1
1244 983 990 1
1245 983 991 1
1246 984 986 1
1247 984 992 1
1248 985 987 1
1249 985 989 1
1250 985 990 1
1251 985 993 1
1252 987 3015 1
1253 988 995 1
1254 989 995 1
1255 991 1097 1
1256 992 1097 1
1257 994 998 1
1258 994 1000 1
1259 995 1002 1
1260 995 1003 1
1261 996 998 1
1262 996 1004 1
1263 997 999 1
1264 997 1001 1
1265 997 1002 1
1266 997 1005 1
1267 999 3038 1
1268 1000 1007 1
1269 1001 1007 1
1270 1003 1109 1
1271 1004 1109 1
1272 1006 1010 1
1273 1006 1012 1
1274 1007 1014 1
1275 1007 1015 1
1276 1008 1010 1
1277 1008 1016 1
1278 1009 1011 1
1279 1009 1013 1
1280 1009 1014 1
1281 1009 1017 1
1282 1011 3061 1
1283 1012 1019 1
1284 1013 1019 1
1285 1015 1121 1
1286 1016 1121 1
1287 1018 1022 1
1288 1019 1024 1
1289 1019 1025 1
1290 1020 1022 1
1291 1020 1026 1
1292 1021 1023 1
1293 1021 1024 1
1294 1021 1027 1
1295 1023 3084 1
1296 1025 1131 1
1297 1026 1131 1
1298 1028 1131 1
1299 1028 1202 1
1300 1029 1132 1
1301 1029 1202 1
1302 1030 1032 1
1303 1030 1034 1
1304 1031 1033 1
1305 1031 1035 1
1306 1031 1036 1
1307 1033 3107 1
1308 1034 1038 1
1309 1035 1038 1
1310 1037 1041 1
1311 1037 1043 1
1312 1038 1045 1
1313 1038 1046 1
1314 1039 1041 1
1315 1039 1047 1
1316 1040 1042 1
1317 1040 1044 1
1318 1040 1045 1
1319 1040 1048 1
1320 1042 3130 1
1321 1043 1050 1
1322 1044 1050 1
1323 1046 1134 1
1324 1047 1134 1
1325 1049 1053 1
1326 1049 1055 1
1327 1050 1057 1
1328 1050 1058 1
1329 1051 1053 1
1330 1051 1059 1
1331 1052 1054 1
1332 1052 1056 1
1333 1052 1057 1
1334 1052 1060 1
1335 1054 3153 1
1336 1055 1062 1
1337 1056 1062 1
1338 1058 1140 1
1339 1059 1140 1
1340 1061 1065 1
1341 1061 1067 1
1342 1062 1069 1
1343 1062 1070 1
1344 1063 1065 1
1345 1063 1071 1
1346 1064 1066 1
1347 1064 1068 1
1348 1064 1069 1
1349 1064 1072 1
1350 1066 3176 1
1351 1067 1074 1
1352 1068 1074 1
1353 1070 1149 1
1354 1071 1149 1
1355 1073 1077 1
1356 1073 1079 1
1357 1074 1081 1
1358 1074 1082 1
1359 1075 1077 1
1360 1075 1083 1
1361 1076 1078 1
1362 1076 1080 1
1363 1076 1081 1
1364 1076 1084 1
1365 1078 3199 1
1366 1079 1086 1
1367 1080 1086 1
1368 1082 1158 1
1369 1083 1158 1
1370 1085 1089 1
1371 1085 1091 1
1372 1086 1093 1
1373 1086 1094 1
1374 1087 1089 1
1375 1087 1095 1
1376 1088 1090 1
1377 1088 1092 1
1378 1088 1093 1
1379 1088 1096 1
1380 1090 3222 1
1381 1091 1098 1
1382 1092 1098 1
1383 1094 1167 1
1384 1095 1167 1
1385 1097 1101 1
1386 1097 1103 1
1387 1098 1105 1
1388 1098 1106 1
1389 1099 1101 1
1390 1099 1107 1
1391 1100 1102 1
1392 1100 1104 1
1393 1100 1105 1
1394 1100 1108 1
1395 1102 3245 1
1396 1103 1110 1
1397 1104 1110 1
1398 1106 1176 1
1399 1107 1176 1
1400 1109 1113 1
1401 1109 1115 1
1402 1110 1117 1
1403 1110 1118 1
1404 1111 1113 1
1405 1111 1119 1
1406 1112 1114 1
1407 1112 1116 1
1408 1112 1117 1
1409 1112 1120 1
1410 1114 3268 1
1411 1115 1122 1
1412 1116 1122 1
1413 1118 1185 1
1414 1119 1185 1
1415 1121 1125 1
1416 1122 1127 1
1417 1122 1128 1
1418 1123 1125 1
1419 1123 1129 1
1420 1124 1126 1
1421 1124 1127 1
1422 1124 1130 1
1423 1126 3291 1
1424 1128 1194 1
1425 1129 1194 1
1426 1132 1133 1
1427 1133 3314 1
1428 1134 1136 1
1429 1134 1138 1
1430 1135 1137 1
1431 1135 1139 1
1432 1137 3337 1
1433 1138 1141 1
1434 1139 1141 1
1435 1140 1143 1
1436 1140 1145 1
1437 1141 1147 1
1438 1142 1144 1
1439 1142 1146 1
1440 1142 1147 1
1441 1142 1148 1
1442 1144 3360 1
1443 1145 1150 1
1444 1146 1150 1
1445 1149 1152 1
1446 1149 1154 1
1447 1150 1156 1
1448 1151 1153 1
1449 1151 1155 1
1450 1151 1156 1
1451 1151 1157 1
1452 1153 3383 1
1453 1154 1159 1
1454 1155 1159 1
1455 1158 1161 1
1456 1158 1163 1
1457 1159 1165 1
1458 1160 1162 1
1459 1160 1164 1
1460 1160 1165 1
1461 1160 1166 1
1462 1162 3406 1
1463 1163 1168 1
1464 1164 1168 1
1465 1167 1170 1
1466 1167 1172 1
1467 1168 1174 1
1468 1169 1171 1
1469 1169 1173 1
1470 1169 1174 1
1471 1169 1175 1
1472 1171 3429 1
1473 1172 1177 1
1474 1173 1177 1
1475 1176 1179 1
1476 1176 1181 1
1477 1177 1183 1
1478 1178 1180 1
1479 1178 1182 1
1480 1178 1183 1
1481 1178 1184 1
1482 1180 3452 1
1483 1181 1186 1
1484 1182 1186 1
1485 1185 1188 1
1486 1185 1190 1
1487 1186 1192 1
1488 1187 1189 1
1489 1187 1191 1
1490 1187 1192 1
1491 1187 1193 1
1492 1189 3475 1
1493 1190 1195 1
1494 1191 1195 1
1495 1194 1197 1
1496 1195 1199 1
1497 1196 1198 1
1498 1196 1199 1
1499 1196 1200 1
1500 1198 3498 1
1501 1221 1222 1
1502 1221 1234 1
1503 1221 1235 1
1504 1222 1223 1
1505 1222 1226 1
1506 1222 1227 1
1507 1223 1224 1
1508 1223 1228 1
1509 1223 1229 1
1510 1224 1225 1
1511 1224 1230 1
1512 1224 1231 1
1513 1225 1232 1
1514 1225 1233 1
1515 1234 1236 1
1516 1235 1237 1
1517 1236 1238 1
1518 1236 1239 1
1519 1236 1240 1
1520 1237 1241 1
1521 1237 1242 1
1522 1237 1243 1
1523 1244 1245 1
1524 1244 1246 1
1525 1244 1247 1
1526 1245 1248 1
1527 1245 1251 1
1528 1245 1252 1
1529 1246 1259 1
1530 1247 1260 1
1531 1248 1249 1
1532 1248 1253 1
1533 1248 1254 1
1534 1249 1250 1
1535 1249 1255 1
1536 1249 1256 1
1537 1250 1257 1
1538 1250 1258 1
1539 1259 1261 1
1540 1259 1262 1
1541 1259 1263 1
1542 1260 1264 1
1543 1260 1265 1
1544 1260 1266 1
1545 1267 1268 1
1546 1267 1269 1
1547 1267 1270 1
1548 1268 1271 1
1549 1268 1274 1
1550 1268 1275 1
1551 1269 1282 1
1552 1270 1283 1
1553 1271 1272 1
1554 1271 1276 1
1555 1271 1277 1
1556 1272 1273 1
1557 1272 1278 1
1558 1272 1279 1
1559 1273 1280 1
1560 1273 1281 1
1561 1282 1284 1
1562 1282 1285 1
1563 1282 1286 1
1564 1283 1287 1
1565 1283 1288 1
1566 1283 1289 1
1567 1290 1291 1
1568 1290 1292 1
1569 1290 1293 1
1570 1291 1294 1
1571 1291 1297 1
1572 1291 1298 1
1573 1292 1305 1
1574 1293 1306 1
1575 1294 1295 1
1576 1294 1299 1
1577 1294 1300 1
1578 1295 1296 1
1579 1295 1301 1
1580 1295 1302 1
1581 1296 1303 1
1582 1296 1304 1
1583 1305 1307 1
1584 1305 1308 1
1585 1305 1309 1
1586 1306 1310 1
1587 1306 1311 1
1588 1306 1312 1
1589 1313 1314 1
1590 1313 1326 1
1591 1313 1327 1
1592 1314 1315 1
1593 1314 1318 1
1594 1314 1319 1
1595 1315 1316 1
1596 1315 1320 1
1597 1315 1321 1
1598 1316 1317 1
1599 1316 1322 1
1600 1316 1323 1
1601 1317 1324 1
1602 1317 1325 1
1603 1326 1328 1
1604 1327 1329 1
1605 1328 1330 1
1606 1328 1331 1
1607 1328 1332 1
1608 1329 1333 1
1609 1329 1334 1
1610 1329 1335 1
1611 1336 1337 1
1612 1336 1349 1
1613 1336 1350 1
1614 1337 1338 1
1615 1337 1341 1
1616 1337 1342 1
1617 1338 1339 1
1618 1338 1343 1
1619 1338 1344 1
1620 1339 1340 1
1621 1339 1345 1
1622 1339 1346 1
1623 1340 1347 1
1624 1340 1348 1
1625 1349 1351 1
1626 1350 1352 1
1627 1351 1353 1
1628 1351 1354 1
1629 1351 1355 1
1630 1352 1356 1
1631 1352 1357 1
1632 1352 1358 1
1633 1359 1360 1
1634 1359 1372 1
1635 1359 1373 1
1636 1360 1361 1
1637 1360 1364 1
1638 1360 1365 1
1639 1361 1362 1
1640 1361 1366 1
1641 1361 1367 1
1642 1362 1363 1
1643 1362 1368 1
1644 1362 1369 1
1645 1363 1370 1
1646 1363 1371 1
1647 1372 1374 1
1648 1373 1375 1
1649 1374 1376 1
1650 1374 1377 1
1651 1374 1378 1
1652 1375 1379 1
1653 1375 1380 1
1654 1375 1381 1
1655 1382 1383 1
1656 1382 1395 1
1657 1382 1396 1
1658 1383 1384 1
1659 1383 1387 1
1660 1383 1388 1
1661 1384 1385 1
1662 1384 1389 1
1663 1384 1390 1
1664 1385 1386 1
1665 1385 1391 1
1666 1385 1392 1
1667 1386 1393 1
1668 1386 1394 1
1669 1395 1397 1
1670 1396 1398 1
1671 1397 1399 1
1672 1397 1400 1
1673 1397 1401 1
1674 1398 1402 1
1675 1398 1403 1
1676 1398 1404 1
1677 1405 1406 1
1678 1405 1418 1
1679 1405 1419 1
1680 1406 1407 1
1681 1406 1410 1
1682 1406 1411 1
1683 1407 1408 1
1684 1407 1412 1
1685 1407 1413 1
1686 1408 1409 1
1687 1408 1414 1
1688 1408 1415 1
1689 1409 1416 1
1690 1409 1417 1
1691 1418 1420 1
1692 1419 1421 1
1693 1420 1422 1
1694 1420 1423 1
1695 1420 1424 1
1696 1421 1425 1
1697 1421 1426 1
1698 1421 1427 1
1699 1428 1429 1
1700 1428 1441 1
1701 1428 1442 1
1702 1429 1430 1
1703 1429 1433 1
1704 1429 1434 1
1705 1430 1431 1
1706 1430 1435 1
1707 1430 1436 1
1708 1431 1432 1
1709 1431 1437 1
1710 1431 1438 1
1711 1432 1439 1
1712 1432 1440 1
1713 1441 1443 1
1714 1442 1444 1
1715 1443 1445 1
1716 1443 1446 1
1717 1443 1447 1
1718 1444 1448 1
1719 1444 1449 1
1720 1444 1450 1
1721 1451 1452 1
1722 1451 1464 1
1723 1451 1465 1
1724 1452 1453 1
1725 1452 1456 1
1726 1452 1457 1
1727 1453 1454 1
1728 1453 1458 1
1729 1453 1459 1
1730 1454 1455 1
1731 1454 1460 1
1732 1454 1461 1
1733 1455 1462 1
1734 1455 1463 1
1735 1464 1466 1
1736 1465 1467 1
1737 1466 1468 1
1738 1466 1469 1
1739 1466 1470 1
1740 1467 1471 1
1741 1467 1472 1
1742 1467 1473 1
1743 1474 1475 1
1744 1474 1487 1
1745 1474 1488 1
1746 1475 1476 1
1747 1475 1479 1
1748 1475 1480 1
1749 1476 1477 1
1750 1476 1481 1
1751 1476 1482 1
1752 1477 1478 1
1753 1477 1483 1
1754 1477 1484 1
1755 1478 1485 1
1756 1478 1486 1
1757 1487 1489 1
1758 1488 1490 1
1759 1489 1491 1
1760 1489 1492 1
1761 1489 1493 1
1762 1490 1494 1
1763 1490 1495 1
1764 1490 1496 1
1765 1497 1498 1
1766 1497 1510 1
1767 1497 1511 1
1768 1498 1499 1
1769 1498 1502 1
1770 1498 1503 1
1771 1499 1500 1
1772 1499 1504 1
1773 1499 1505 1
1774 1500 1501 1
1775 1500 1506 1
1776 1500 1507 1
1777 1501 1508 1
1778 1501 1509 1
1779 1510 1512 1
1780 1511 1513 1
1781 1512 1514 1
1782 1512 1515 1
1783 1512 1516 1
1784 1513 1517 1
1785 1513 1518 1
1786 1513 1519 1
1787 1520 1521 1
1788 1520 1533 1
1789 1520 1534 1
1790 1521 1522 1
1791 1521 1525 1
1792 1521 1526 1
1793 1522 1523 1
1794 1522 1527 1
1795 1522 1528 1
1796 1523 1524 1
1797 1523 1529 1
1798 1523 1530 1
1799 1524 1531 1
1800 1524 1532 1
1801 1533 1535 1
1802 1534 1536 1
1803 1535 1537 1
1804 1535 1538 1
1805 1535 1539 1
1806 1536 1540 1
1807 1536 1541 1
1808 1536 1542 1
1809 1543 1544 1
1810 1543 1556 1
1811 1543 1557 1
1812 1544 1545 1
1813 1544 1548 1
1814 1544 1549 1
1815 1545 1546 1
1816 1545 1550 1
1817 1545 1551 1
1818 1546 1547 1
1819 1546 1552 1
1820 1546 1553 1
1821 1547 1554 1
1822 1547 1555 1
1823 1556 1558 1
1824 1557 1559 1
1825 1558 1560 1
1826 1558 1561 1
1827 1558 1562 1
1828 1559 1563 1
1829 1559 1564 1
1830 1559 1565 1
1831 1566 1567 1
1832 1566 1579 1
1833 1566 1580 1
1834 1567 1568 1
1835 1567 1571 1
1836 1567 1572 1
1837 1568 1569 1
1838 1568 1573 1
1839 1568 1574 1
1840 1569 1570 1
1841 1569 1575 1
1842 1569 1576 1
1843 1570 1577 1
1844 1570 1578 1
1845 1579 1581 1
1846 1580 1582 1
1847 1581 1583 1
1848 1581 1584 1
1849 1581 1585 1
1850 1582 1586 1
1851 1582 1587 1
1852 1582 1588 1
1853 1589 1590 1
1854 1589 1602 1
1855 1589 1603 1
1856 1590 1591 1
1857 1590 1594 1
1858 1590 1595 1
1859 1591 1592 1
1860 1591 1596 1
1861 1591 1597 1
1862 1592 1593 1
1863 1592 1598 1
1864 1592 1599 1
1865 1593 1600 1
1866 1593 1601 1
1867 1602 1604 1
1868 1603 1605 1
1869 1604 1606 1
1870 1604 1607 1
1871 1604 1608 1
1872 1605 1609 1
1873 1605 1610 1
1874 1605 1611 1
1875 1612 1613 1
1876 1612 1625 1
1877 1612 1626 1
1878 1613 1614 1
1879 1613 1617 1
1880 1613 1618 1
1881 1614 1615 1
1882 1614 1619 1
1883 1614 1620 1
1884 1615 1616 1
1885 1615 1621 1
1886 1615 1622 1
1887 1616 1623 1
1888 1616 1624 1
1889 1625 1627 1
1890 1626 1628 1
1891 1627 1629 1
1892 1627 1630 1
1893 1627 1631 1
1894 1628 1632 1
1895 1628 1633 1
1896 1628 1634 1
1897 1635 1636 1
1898 1635 1648 1
1899 1635 1649 1
1900 1636 1637 1
1901 1636 1640 1
1902 1636 1641 1
1903 1637 1638 1
1904 1637 1642 1
1905 1637 1643 1
1906 1638 1639 1
1907 1638 1644 1
1908 1638 1645 1
1909 1639 1646 1
1910 1639 1647 1
1911 1648 1650 1
1912 1649 1651 1
1913 1650 1652 1
1914 1650 1653 1
1915 1650 1654 1
1916 1651 1655 1
1917 1651 1656 1
1918 1651 1657 1
1919 1658 1659 1
1920 1658 1671 1
1921 1658 1672 1
1922 1659 1660 1
1923 1659 1663 1
1924 1659 1664 1
1925 1660 1661 1
1926 1660 1665 1
1927 1660 1666 1
1928 1661 1662 1
1929 1661 1667 1
1930 1661 1668 1
1931 1662 1669 1
1932 1662 1670 1
1933 1671 1673 1
1934 1672 1674 1
1935 1673 1675 1
1936 1673 1676 1
1937 1673 1677 1
1938 1674 1678 1
1939 1674 1679 1
1940 1674 1680 1
1941 1681 1682 1
1942 1681 1694 1
1943 1681 1695 1
1944 1682 1683 1
1945 1682 1686 1
1946 1682 1687 1
1947 1683 1684 1
1948 1683 1688 1
1949 1683 1689 1
1950 1684 1685 1
1951 1684 1690 1
1952 1684 1691 1
1953 1685 1692 1
1954 1685 1693 1
1955 1694 1696 1
1956 1695 1697 1
1957 1696 1698 1
1958 1696 1699 1
1959 1696 1700 1
1960 1697 1701 1
1961 1697 1702 1
1962 1697 1703 1
1963 1704 1705 1
1964 1704 1717 1
1965 1704 1718 1
1966 1705 1706 1
1967 1705 1709 1
1968 1705 1710 1
1969 1706 1707 1
1970 1706 1711 1
1971 1706 1712 1
1972 1707 1708 1
1973 1707 1713 1
1974 1707 1714 1
1975 1708 1715 1
1976 1708 1716 1
1977 1717 1719 1
1978 1718 1720 1
1979 1719 1721 1
1980 1719 1722 1
1981 1719 1723 1
1982 1720 1724 1
1983 1720 1725 1
1984 1720 1726 1
1985 1727 1728 1
1986 1727 1740 1
1987 1727 1741 1
1988 1728 1729 1
1989 1728 1732 1
1990 1728 1733 1
1991 1729 1730 1
1992 1729 1734 1
1993 1729 1735 1
1994 1730 1731 1
1995 1730 1736 1
1996 1730 1737 1
1997 1731 1738 1
1998 1731 1739 1
1999 1740 1742 1
2000 1741 1743 1
2001 1742 1744 1
2002 1742 1745 1
2003 1742 1746 1
2004 1743 1747 1
2005 1743 1748 1
2006 1743 1749 1
2007 1750 1751 1
2008 1750 1763 1
2009 1750 1764 1
2010 1751 1752 1
2011 1751 1755 1
2012 1751 1756 1
2013 1752 1753 1
2014 1752 1757 1
2015 1752 1758 1
2016 1753 1754 1
2017 1753 1759 1
2018 1753 1760 1
2019 1754 1761 1
2020 1754 1762 1
2021 1763 1765 1
2022 1764 1766 1
2023 1765 1767 1
2024 1765 1768 1
2025 1765 1769 1
2026 1766 1770 1
2027 1766 1771 1
2028 1766 1772 1
2029 1773 1774 1
2030 1773 1786 1
2031 1773 1787 1
2032 1774 1775 1
2033 1774 1778 1
2034 1774 1779 1
2035 1775 1776 1
2036 1775 1780 1
2037 1775 1781 1
2038 1776 1777 1
2039 1776 1782 1
2040 1776 1783 1
2041 1777 1784 1
2042 1777 1785 1
2043 1786 1788 1
2044 1787 1789 1
2045 1788 1790 1
2046 1788 1791 1
2047 1788 1792 1
2048 1789 1793 1
2049 1789 1794 1
2050 1789 1795 1
2051 1796 1797 1
2052 1796 1809 1
2053 1796 1810 1
2054 1797 1798 1
2055 1797 1801 1
2056 1797 1802 1
2057 1798 1799 1
2058 1798 1803 1
2059 1798 1804 1
2060 1799 1800 1
2061 1799 1805 1
2062 1799 1806 1
2063 1800 1807 1
2064 1800 1808 1
2065 1809 1811 1
2066 1810 1812 1
2067 1811 1813 1
2068 1811 1814 1
2069 1811 1815 1
2070 1812 1816 1
2071 1812 1817 1
2072 1812 1818 1
2073 1819 1820 1
2074 1819 1832 1
2075 1819 1833 1
2076 1820 1821 1
2077 1820 1824 1
2078 1820 1825 1
2079 1821 1822 1
2080 1821 1826 1
2081 1821 1827 1
2082 1822 1823 1
2083 1822 1828 1
2084 1822 1829 1
2085 1823 1830 1
2086 1823 1831 1
2087 1832 1834 1
2088 1833 1835 1
2089 1834 1836 1
2090 1834 1837 1
2091 1834 1838 1
2092 1835 1839 1
2093 1835 1840 1
2094 1835 1841 1
2095 1842 1843 1
2096 1842 1855 1
2097 1842 1856 1
2098 1843 1844 1
2099 1843 1847 1
2100 1843 1848 1
2101 1844 1845 1
2102 1844 1849 1
2103 1844 1850 1
2104 1845 1846 1
2105 1845 1851 1
2106 1845 1852 1
2107 1846 1853 1
2108 1846 1854 1
2109 1855 1857 1
2110 1856 1858 1
2111 1857 1859 1
2112 1857 1860 1
2113 1857 1861 1
2114 1858 1862 1
2115 1858 1863 1
2116 1858 1864 1
2117 1865 1866 1
2118 1865 1878 1
2119 1865 1879 1
2120 1866 1867 1
2121 1866 1870 1
2122 1866 1871 1
2123 1867 1868 1
2124 1867 1872 1
2125 1867 1873 1
2126 1868 1869 1
2127 1868 1874 1
2128 1868 1875 1
2129 1869 1876 1
2130 1869 1877 1
2131 1878 1880 1
2132 1879 1881 1
2133 1880 1882 1
2134 1880 1883 1
2135 1880 1884 1
2136 1881 1885 1
2137 1881 1886 1
2138 1881 1887 1
2139 1888 1889 1
2140 1888 1901 1
2141 1888 1902 1
2142 1889 1890 1
2143 1889 1893 1
2144 1889 1894 1
2145 1890 1891 1
2146 1890 1895 1
2147 1890 1896 1
2148 1891 1892 1
2149 1891 1897 1
2150 1891 1898 1
2151 1892 1899 1
2152 1892 1900 1
2153 1901 1903 1
2154 1902 1904 1
2155 1903 1905 1
2156 1903 1906 1
2157 1903 1907 1
2158 1904 1908 1
2159 1904 1909 1
2160 1904 1910 1
2161 1911 1912 1
2162 1911 1924 1
2163 1911 1925 1
2164 1912 1913 1
2165 1912 1916 1
2166 1912 1917 1
2167 1913 1914 1
2168 1913 1918 1
2169 1913 1919 1
2170 1914 1915 1
2171 1914 1920 1
2172 1914 1921 1
2173 1915 1922 1
2174 1915 1923 1
2175 1924 1926 1
2176 1925 1927 1
2177 1926 1928 1
2178 1926 1929 1
2179 1926 1930 1
2180 1927 1931 1
2181 1927 1932 1
2182 1927 1933 1
2183 1934 1935 1
2184 1934 1947 1
2185 1934 1948 1
2186 1935 1936 1
2187 1935 1939 1
2188 1935 1940 1
2189 1936 1937 1
2190 1936 1941 1
2191 1936 1942 1
2192 1937 1938 1
2193 1937 1943 1
2194 1937 1944 1
2195 1938 1945 1
2196 1938 1946 1
2197 1947 1949 1
2198 1948 1950 1
2199 1949 1951 1
2200 1949 1952 1
2201 1949 1953 1
2202 1950 1954 1
2203 1950 1955 1
2204 1950 1956 1
2205 1957 1958 1
2206 1957 1970 1
2207 1957 1971 1
2208 1958 1959 1
2209 1958 1962 1
2210 1958 1963 1
2211 1959 1960 1
2212 1959 1964 1
2213 1959 1965 1
2214 1960 1961 1
2215 1960 1966 1
2216 1960 1967 1
2217 1961 1968 1
2218 1961 1969 1
2219 1970 1972 1
2220 1971 1973 1
2221 1972 1974 1
2222 1972 1975 1
2223 1972 1976 1
2224 1973 1977 1
2225 1973 1978 1
2226 1973 1979 1
2227 1980 1981 1
2228 1980 1993 1
2229 1980 1994 1
2230 1981 1982 1
2231 1981 1985 1
2232 1981 1986 1
2233 1982 1983 1
2234 1982 1987 1
2235 1982 1988 1
2236 1983 1984 1
2237 1983 1989 1
2238 1983 1990 1
2239 1984 1991 1
2240 1984 1992 1
2241 1993 1995 1
2242 1994 1996 1
2243 1995 1997 1
2244 1995 1998 1
2245 1995 1999 1
2246 1996 2000 1
2247 1996 2001 1
2248 1996 2002 1
2249 2003 2004 1
2250 2003 2016 1
2251 2003 2017 1
2252 2004 2005 1
2253 2004 2008 1
2254 2004 2009 1
2255 2005 2006 1
2256 2005 2010 1
2257 2005 2011 1
2258 2006 2007 1
2259 2006 2012 1
2260 2006 2013 1
2261 2007 2014 1
2262 2007 2015 1
2263 2016 2018 1
2264 2017 2019 1
2265 2018 2020 1
2266 2018 2021 1
2267 2018 2022 1
2268 2019 2023 1
2269 2019 2024 1
2270 2019 2025 1
2271 2026 2027 1
2272 2026 2039 1
2273 2026 2040 1
2274 2027 2028 1
2275 2027 2031 1
2276 2027 2032 1
2277 2028 2029 1
2278 2028 2033 1
2279 2028 2034 1
2280 2029 2030 1
2281 2029 2035 1
2282 2029 2036 1
2283 2030 2037 1
2284 2030 2038 1
2285 2039 2041 1
2286 2040 2042 1
2287 2041 2043 1
2288 2041 2044 1
2289 2041 2045 1
2290 2042 2046 1
2291 2042 2047 1
2292 2042 2048 1
2293 2049 2050 1
2294 2049 2062 1
2295 2049 2063 1
2296 2050 2051 1
2297 2050 2054 1
2298 2050 2055 1
2299 2051 2052 1
2300 2051 2056 1
2301 2051 2057 1
2302 2052 2053 1
2303 2052 2058 1
2304 2052 2059 1
2305 2053 2060 1
2306 2053 2061 1
2307 2062 2064 1
2308 2063 2065 1
2309 2064 2066 1
2310 2064 2067 1
2311 2064 2068 1
2312 2065 2069 1
2313 2065 2070 1
2314 2065 2071 1
2315 2072 2073 1
2316 2072 2085 1
2317 2072 2086 1
2318 2073 2074 1
2319 2073 2077 1
2320 2073 2078 1
2321 2074 2075 1
2322 2074 2079 1
2323 2074 2080 1
2324 2075 2076 1
2325 2075 2081 1
2326 2075 2082 1
2327 2076 2083 1
2328 2076 2084 1
2329 2085 2087 1
2330 2086 2088 1
2331 2087 2089 1
2332 2087 2090 1
2333 2087 2091 1
2334 2088 2092 1
2335 2088 2093 1
2336 2088 2094 1
2337 2095 2096 1
2338 2095 2108 1
2339 2095 2109 1
2340 2096 2097 1
2341 2096 2100 1
2342 2096 2101 1
2343 2097 2098 1
2344 2097 2102 1
2345 2097 2103 1
2346 2098 2099 1
2347 2098 2104 1
2348 2098 2105 1
2349 2099 2106 1
2350 2099 2107 1
2351 2108 2110 1
2352 2109 2111 1
2353 2110 2112 1
2354 2110 2113 1
2355 2110 2114 1
2356 2111 2115 1
2357 2111 2116 1
2358 2111 2117 1
2359 2118 2119 1
2360 2118 2131 1
2361 2118 2132 1
2362 2119 2120 1
2363 2119 2123 1
2364 2119 2124 1
2365 2120 2121 1
2366 2120 2125 1
2367 2120 2126 1
2368 2121 2122 1
2369 2121 2127 1
2370 2121 2128 1
2371 2122 2129 1
2372 2122 2130 1
2373 2131 2133 1
2374 2132 2134 1
2375 2133 2135 1
2376 2133 2136 1
2377 2133 2137 1
2378 2134 2138 1
2379 2134 2139 1
2380 2134 2140 1
2381 2141 2142 1
2382 2141 2154 1
2383 2141 2155 1
2384 2142 2143 1
2385 2142 2146 1
2386 2142 2147 1
2387 2143 2144 1
2388 2143 2148 1
2389 2143 2149 1
2390 2144 2145 1
2391 2144 2150 1
2392 2144 2151 1
2393 2145 2152 1
2394 2145 2153 1
2395 2154 2156 1
2396 2155 2157 1
2397 2156 2158 1
2398 2156 2159 1
2399 2156 2160 1
2400 2157 2161 1
2401 2157 2162 1
2402 2157 2163 1
2403 2164 2165 1
2404 2164 2177 1
2405 2164 2178 1
2406 2165 2166 1
2407 2165 2169 1
2408 2165 2170 1
2409 2166 2167 1
2410 2166 2171 1
2411 2166 2172 1
2412 2167 2168 1
2413 2167 2173 1
2414 2167 2174 1
2415 2168 2175 1
2416 2168 2176 1
2417 2177 2179 1
2418 2178 2180 1
2419 2179 2181 1
2420 2179 2182 1
2421 2179 2183 1
2422 2180 2184 1
2423 2180 2185 1
2424 2180 2186 1
2425 2187 2188 1
2426 2187 2200 1
2427 2187 2201 1
2428 2188 2189 1
2429 2188 2192 1
2430 2188 2193 1
2431 2189 2190 1
2432 2189 2194 1
2433 2189 2195 1
2434 2190 2191 1
2435 2190 2196 1
2436 2190 2197 1
2437 2191 2198 1
2438 2191 2199 1
2439 2200 2202 1
2440 2201 2203 1
2441 2202 2204 1
2442 2202 2205 1
2443 2202 2206 1
2444 2203 2207 1
2445 2203 2208 1
2446 2203 2209 1
2447 2210 2211 1
2448 2210 2223 1
2449 2210 2224 1
2450 2211 2212 1
2451 2211 2215 1
2452 2211 2216 1
2453 2212 2213 1
2454 2212 2217 1
2455 2212 2218 1
2456 2213 2214 1
2457 2213 2219 1
2458 2213 2220 1
2459 2214 2221 1
2460 2214 2222 1
2461 2223 2225 1
2462 2224 2226 1
2463 2225 2227 1
2464 2225 2228 1
2465 2225 2229 1
2466 2226 2230 1
2467 2226 2231 1
2468 2226 2232 1
2469 2233 2234 1
2470 2233 2246 1
2471 2233 2247 1
2472 2234 2235 1
2473 2234 2238 1
2474 2234 2239 1
2475 2235 2236 1
2476 2235 2240 1
2477 2235 2241 1
2478 2236 2237 1
2479 2236 2242 1
2480 2236 2243 1
2481 2237 2244 1
2482 2237 2245 1
2483 2246 2248 1
2484 2247 2249 1
2485 2248 2250 1
2486 2248 2251 1
2487 2248 2252 1
2488 2249 2253 1
2489 2249 2254 1
2490 2249 2255 1
2491 2256 2257 1
2492 2256 2269 1
2493 2256 2270 1
2494 2257 2258 1
2495 2257 2261 1
2496 2257 2262 1
2497 2258 2259 1
2498 2258 2263 1
2499 2258 2264 1
2500 2259 2260 1
2501 2259 2265 1
2502 2259 2266 1
2503 2260 2267 1
2504 2260 2268 1
2505 2269 2271 1
2506 2270 2272 1
2507 2271 2273 1
2508 2271 2274 1
2509 2271 2275 1
2510 2272 2276 1
2511 2272 2277 1
2512 2272 2278 1
2513 2279 2280 1
2514 2279 2292 1
2515 2279 2293 1
2516 2280 2281 1
2517 2280 2284 1
2518 2280 2285 1
2519 2281 2282 1
2520 2281 2286 1
2521 2281 2287 1
2522 2282 2283 1
2523 2282 2288 1
2524 2282 2289 1
2525 2283 2290 1
2526 2283 2291 1
2527 2292 2294 1
2528 2293 2295 1
2529 2294 2296 1
2530 2294 2297 1
2531 2294 2298 1
2532 2295 2299 1
2533 2295 2300 1
2534 2295 2301 1
2535 2302 2303 1
2536 2302 2315 1
2537 2302 2316 1
2538 2303 2304 1
2539 2303 2307 1
2540 2303 2308 1
2541 2304 2305 1
2542 2304 2309 1
2543 2304 2310 1
2544 2305 2306 1
2545 2305 2311 1
2546 2305 2312 1
2547 2306 2313 1
2548 2306 2314 1
2549 2315 2317 1
2550 2316 2318 1
2551 2317 2319 1
2552 2317 2320 1
2553 2317 2321 1
2554 2318 2322 1
2555 2318 2323 1
2556 2318 2324 1
2557 2325 2326 1
2558 2325 2338 1
2559 2325 2339 1
2560 2326 2327 1
2561 2326 2330 1
2562 2326 2331 1
2563 2327 2328 1
2564 2327 2332 1
2565 2327 2333 1
2566 2328 2329 1
2567 2328 2334 1
2568 2328 2335 1
2569 2329 2336 1
2570 2329 2337 1
2571 2338 2340 1
2572 2339 2341 1
2573 2340 2342 1
2574 2340 2343 1
2575 2340 2344 1
2576 2341 2345 1
2577 2341 2346 1
2578 2341 2347 1
2579 2348 2349 1
2580 2348 2361 1
2581 2348 2362 1
2582 2349 2350 1
2583 2349 2353 1
2584 2349 2354 1
2585 2350 2351 1
2586 2350 2355 1
2587 2350 2356 1
2588 2351 2352 1
2589 2351 2357 1
2590 2351 2358 1
2591 2352 2359 1
2592 2352 2360 1
2593 2361 2363 1
2594 2362 2364 1
2595 2363 2365 1
2596 2363 2366 1
2597 2363 2367 1
2598 2364 2368 1
2599 2364 2369 1
2600 2364 2370 1
2601 2371 2372 1
2602 2371 2384 1
2603 2371 2385 1
2604 2372 2373 1
2605 2372 2376 1
2606 2372 2377 1
2607 2373 2374 1
2608 2373 2378 1
2609 2373 2379 1
2610 2374 2375 1
2611 2374 2380 1
2612 2374 2381 1
2613 2375 2382 1
2614 2375 2383 1
2615 2384 2386 1
2616 2385 2387 1
2617 2386 2388 1
2618 2386 2389 1
2619 2386 2390 1
2620 2387 2391 1
2621 2387 2392 1
2622 2387 2393 1
2623 2394 2395 1
2624 2394 2407 1
2625 2394 2408 1
2626 2395 2396 1
2627 2395 2399 1
2628 2395 2400 1
2629 2396 2397 1
2630 2396 2401 1
2631 2396 2402 1
2632 2397 2398 1
2633 2397 2403 1
2634 2397 2404 1
2635 2398 2405 1
2636 2398 2406 1
2637 2407 2409 1
2638 2408 2410 1
2639 2409 2411 1
2640 2409 2412 1
2641 2409 2413 1
2642 2410 2414 1
2643 2410 2415 1
2644 2410 2416 1
2645 2417 2418 1
2646 2417 2430 1
2647 2417 2431 1
2648 2418 2419 1
2649 2418 2422 1
2650 2418 2423 1
2651 2419 2420 1
2652 2419 2424 1
2653 2419 2425 1
2654 2420 2421 1
2655 2420 2426 1
2656 2420 2427 1
2657 2421 2428 1
2658 2421 2429 1
2659 2430 2432 1
2660 2431 2433 1
2661 2432 2434 1
2662 2432 2435 1
2663 2432 2436 1
2664 2433 2437 1
2665 2433 2438 1
2666 2433 2439 1
2667 2440 2441 1
2668 2440 2453 1
2669 2440 2454 1
2670 2441 2442 1
2671 2441 2445 1
2672 2441 2446 1
2673 2442 2443 1
2674 2442 2447 1
2675 2442 2448 1
2676 2443 2444 1
2677 2443 2449 1
2678 2443 2450 1
2679 2444 2451 1
2680 2444 2452 1
2681 2453 2455 1
2682 2454 2456 1
2683 2455 2457 1
2684 2455 2458 1
2685 2455 2459 1
2686 2456 2460 1
2687 2456 2461 1
2688 2456 2462 1
2689 2463 2464 1
2690 2463 2476 1
2691 2463 2477 1
2692 2464 2465 1
2693 2464 2468 1
2694 2464 2469 1
2695 2465 2466 1
2696 2465 2470 1
2697 2465 2471 1
2698 2466 2467 1
2699 2466 2472 1
2700 2466 2473 1
2701 2467 2474 1
2702 2467 2475 1
2703 2476 2478 1
2704 2477 2479 1
2705 2478 2480 1
2706 2478 2481 1
2707 2478 2482 1
2708 2479 2483 1
2709 2479 2484 1
2710 2479 2485 1
2711 2486 2487 1
2712 2486 2499 1
2713 2486 2500 1
2714 2487 2488 1
2715 2487 2491 1
2716 2487 2492 1
2717 2488 2489 1
2718 2488 2493 1
2719 2488 2494 1
2720 2489 2490 1
2721 2489 2495 1
2722 2489 2496 1
2723 2490 2497 1
2724 2490 2498 1
2725 2499 2501 1
2726 2500 2502 1
2727 2501 2503 1
2728 2501 2504 1
2729 2501 2505 1
2730 2502 2506 1
2731 2502 2507 1
2732 2502 2508 1
2733 2509 2510 1
2734 2509 2522 1
2735 2509 2523 1
2736 2510 2511 1
2737 2510 2514 1
2738 2510 2515 1
2739 2511 2512 1
2740 2511 2516 1
2741 2511 2517 1
2742 2512 2513 1
2743 2512 2518 1
2744 2512 2519 1
2745 2513 2520 1
2746 2513 2521 1
2747 2522 2524 1
2748 2523 2525 1
2749 2524 2526 1
2750 2524 2527 1
2751 2524 2528 1
2752 2525 2529 1
2753 2525 2530 1
2754 2525 2531 1
2755 2532 2533 1
2756 2532 2545 1
2757 2532 2546 1
2758 2533 2534 1
2759 2533 2537 1
2760 2533 2538 1
2761 2534 2535 1
2762 2534 2539 1
2763 2534 2540 1
2764 2535 2536 1
2765 2535 2541 1
2766 2535 2542 1
2767 2536 2543 1
2768 2536 2544 1
2769 2545 2547 1
2770 2546 2548 1
2771 2547 2549 1
2772 2547 2550 1
2773 2547 2551 1
2774 2548 2552 1
2775 2548 2553 1
2776 2548 2554 1
2777 2555 2556 1
2778 2555 2568 1
2779 2555 2569 1
2780 2556 2557 1
2781 2556 2560 1
2782 2556 2561 1
2783 2557 2558 1
2784 2557 2562 1
2785 2557 2563 1
2786 2558 2559 1
2787 2558 2564 1
2788 2558 2565 1
2789 2559 2566 1
2790 2559 2567 1
2791 2568 2570 1
2792 2569 2571 1
2793 2570 2572 1
2794 2570 2573 1
2795 2570 2574 1
2796 2571 2575 1
2797 2571 2576 1
2798 2571 2577 1
2799 2578 2579 1
2800 2578 2591 1
2801 2578 2592 1
2802 2579 2580 1
2803 2579 2583 1
2804 2579 2584 1
2805 2580 2581 1
2806 2580 2585 1
2807 2580 2586 1
2808 2581 2582 1
2809 2581 2587 1
2810 2581 2588 1
2811 2582 2589 1
2812 2582 2590 1
2813 2591 2593 1
2814 2592 2594 1
2815 2593 2595 1
2816 2593 2596 1
2817 2593 2597 1
2818 2594 2598 1
2819 2594 2599 1
2820 2594 2600 1
2821 2601 2602 1
2822 2601 2614 1
2823 2601 2615 1
2824 2602 2603 1
2825 2602 2606 1
2826 2602 2607 1
2827 2603 2604 1
2828 2603 2608 1
2829 2603 2609 1
2830 2604 2605 1
2831 2604 2610 1
2832 2604 2611 1
2833 2605 2612 1
2834 2605 2613 1
2835 2614 2616 1
2836 2615 2617 1
2837 2616 2618 1
2838 2616 2619 1
2839 2616 2620 1
2840 2617 2621 1
2841 2617 2622 1
2842 2617 2623 1
2843 2624 2625 1
2844 2624 2637 1
2845 2624 2638 1
2846 2625 2626 1
2847 2625 2629 1
2848 2625 2630 1
2849 2626 2627 1
2850 2626 2631 1
2851 2626 2632 1
2852 2627 2628 1
2853 2627 2633 1
2854 2627 2634 1
2855 2628 2635 1
2856 2628 2636 1
2857 2637 2639 1
2858 2638 2640 1
2859 2639 2641 1
2860 2639 2642 1
2861 2639 2643 1
2862 2640 2644 1
2863 2640 2645 1
2864 2640 2646 1
2865 2647 2648 1
2866 2647 2660 1
2867 2647 2661 1
2868 2648 2649 1
2869 2648 2652 1
2870 2648 2653 1
2871 2649 2650 1
2872 2649 2654 1
2873 2649 2655 1
2874 2650 2651 1
2875 2650 2656 1
2876 2650 2657 1
2877 2651 2658 1
2878 2651 2659 1
2879 2660 2662 1
2880 2661 2663 1
2881 2662 2664 1
2882 2662 2665 1
2883 2662 2666 1
2884 2663 2667 1
2885 2663 2668 1
2886 2663 2669 1
2887 2670 2671 1
2888 2670 2683 1
2889 2670 2684 1
2890 2671 2672 1
2891 2671 2675 1
2892 2671 2676 1
2893 2672 2673 1
2894 2672 2677 1
2895 2672 2678 1
2896 2673 2674 1
2897 2673 2679 1
2898 2673 2680 1
2899 2674 2681 1
2900 2674 2682 1
2901 2683 2685 1
2902 2684 2686 1
2903 2685 2687 1
2904 2685 2688 1
2905 2685 2689 1
2906 2686 2690 1
2907 2686 2691 1
2908 2686 2692 1
2909 2693 2694 1
2910 2693 2706 1
2911 2693 2707 1
2912 2694 2695 1
2913 2694 2698 1
2914 2694 2699 1
2915 2695 2696 1
2916 2695 2700 1
2917 2695 2701 1
2918 2696 2697 1
2919 2696 2702 1
2920 2696 2703 1
2921 2697 2704 1
2922 2697 2705 1
2923 2706 2708 1
2924 2707 2709 1
2925 2708 2710 1
2926 2708 2711 1
2927 2708 2712 1
2928 2709 2713 1
2929 2709 2714 1
2930 2709 2715 1
2931 2716 2717 1
2932 2716 2729 1
2933 2716 2730 1
2934 2717 2718 1
2935 2717 2721 1
2936 2717 2722 1
2937 2718 2719 1
2938 2718 2723 1
2939 2718 2724 1
2940 2719 2720 1
2941 2719 2725 1
2942 2719 2726 1
2943 2720 2727 1
2944 2720 2728 1
2945 2729 2731 1
2946 2730 2732 1
2947 2731 2733 1
2948 2731 2734 1
2949 2731 2735 1
2950 2732 2736 1
2951 2732 2737 1
2952 2732 2738 1
2953 2739 2740 1
2954 2739 2752 1
2955 2739 2753 1
2956 2740 2741 1
2957 2740 2744 1
2958 2740 2745 1
2959 2741 2742 1
2960 2741 2746 1
2961 2741 2747 1
2962 2742 2743 1
2963 2742 2748 1
2964 2742 2749 1
2965 2743 2750 1
2966 2743 2751 1
2967 2752 2754 1
2968 2753 2755 1
2969 2754 2756 1
2970 2754 2757 1
2971 2754 2758 1
2972 2755 2759 1
2973 2755 2760 1
2974 2755 2761 1
2975 2762 2763 1
2976 2762 2775 1
2977 2762 2776 1
2978 2763 2764 1
2979 2763 2767 1
2980 2763 2768 1
2981 2764 2765 1
2982 2764 2769 1
2983 2764 2770 1
2984 2765 2766 1
2985 2765 2771 1
2986 2765 2772 1
2987 2766 2773 1
2988 2766 2774 1
2989 2775 2777 1
2990 2776 2778 1
2991 2777 2779 1
2992 2777 2780 1
2993 2777 2781 1
2994 2778 2782 1
2995 2778 2783 1
2996 2778 2784 1
2997 2785 2786 1
2998 2785 2798 1
2999 2785 2799 1
3000 2786 2787 1
3001 2786 2790 1
3002 2786 2791 1
3003 2787 2788 1
3004 2787 2792 1
3005 2787 2793 1
3006 2788 2789 1
3007 2788 2794 1
3008 2788 2795 1
3009 2789 2796 1
3010 2789 2797 1
3011 2798 2800 1
3012 2799 2801 1
3013 2800 2802 1
3014 2800 2803 1
3015 2800 2804 1
3016 2801 2805 1
3017 2801 2806 1
3018 2801 2807 1
3019 2808 2809 1
3020 2808 2821 1
3021 2808 2822 1
3022 2809 2810 1
3023 2809 2813 1
3024 2809 2814 1
3025 2810 2811 1
3026 2810 2815 1
3027 2810 2816 1
3028 2811 2812 1
3029 2811 2817 1
3030 2811 2818 1
3031 2812 2819 1
3032 2812 2820 1
3033 2821 2823 1
3034 2822 2824 1
3035 2823 2825 1
3036 2823 2826 1
3037 2823 2827 1
3038 2824 2828 1
3039 2824 2829 1
3040 2824 2830 1
3041 2831 2832 1
3042 2831 2844 1
3043 2831 2845 1
3044 2832 2833 1
3045 2832 2836 1
3046 2832 2837 1
3047 2833 2834 1
3048 2833 2838 1
3049 2833 2839 1
3050 2834 2835 1
3051 2834 2840 1
3052 2834 2841 1
3053 2835 2842 1
3054 2835 2843 1
3055 2844 2846 1
3056 2845 2847 1
3057 2846 2848 1
3058 2846 2849 1
3059 2846 2850 1
3060 2847 2851 1
3061 2847 2852 1
3062 2847 2853 1
3063 2854 2855 1
3064 2854 2867 1
3065 2854 2868 1
3066 2855 2856 1
3067 2855 2859 1
3068 2855 2860 1
3069 2856 2857 1
3070 2856 2861 1
3071 2856 2862 1
3072 2857 2858 1
3073 2857 2863 1
3074 2857 2864 1
3075 2858 2865 1
3076 2858 2866 1
3077 2867 2869 1
3078 2868 2870 1
3079 2869 2871 1
3080 2869 2872 1
3081 2869 2873 1
3082 2870 2874 1
3083 2870 2875 1
3084 2870 2876 1
3085 2877 2878 1
3086 2877 2890 1
3087 2877 2891 1
3088 2878 2879 1
3089 2878 2882 1
3090 2878 2883 1
3091 2879 2880 1
3092 2879 2884 1
3093 2879 2885 1
3094 2880 2881 1
3095 2880 2886 1
3096 2880 2887 1
3097 2881 2888 1
3098 2881 2889 1
3099 2890 2892 1
3100 2891 2893 1
3101 2892 2894 1
3102 2892 2895 1
3103 2892 2896 1
3104 2893 2897 1
3105 2893 2898 1
3106 2893 2899 1
3107 2900 2901 1
3108 2900 2913 1
3109 2900 2914 1
3110 2901 2902 1
3111 2901 2905 1
3112 2901 2906 1
3113 2902 2903 1
3114 2902 2907 1
3115 2902 2908 1
3116 2903 2904 1
3117 2903 2909 1
3118 2903 2910 1
3119 2904 2911 1
3120 2904 2912 1
3121 2913 2915 1
3122 2914 2916 1
3123 2915 2917 1
3124 2915 2918 1
3125 2915 2919 1
3126 2916 2920 1
3127 2916 2921 1
3128 2916 2922 1
3129 2923 2924 1
3130 2923 2936 1
3131 2923 2937 1
3132 2924 2925 1
3133 2924 2928 1
3134 2924 2929 1
3135 2925 2926 1
3136 2925 2930 1
3137 2925 2931 1
3138 2926 2927 1
3139 2926 2932 1
3140 2926 2933 1
3141 2927 2934 1
3142 2927 2935 1
3143 2936 2938 1
3144 2937 2939 1
3145 2938 2940 1
3146 2938 2941 1
3147 2938 2942 1
3148 2939 2943 1
3149 2939 2944 1
3150 2939 2945 1
3151 2946 2947 1
3152 2946 2959 1
3153 2946 2960 1
3154 2947 2948 1
3155 2947 2951 1
3156 2947 2952 1
3157 2948 2949 1
3158 2948 2953 1
3159 2948 2954 1
3160 2949 2950 1
3161 2949 2955 1
3162 2949 2956 1
3163 2950 2957 1
3164 2950 2958 1
3165 2959 2961 1
3166 2960 2962 1
3167 2961 2963 1
3168 2961 2964 1
3169 2961 2965 1
3170 2962 2966 1
3171 2962 2967 1
3172 2962 2968 1
3173 2969 2970 1
3174 2969 2982 1
3175 2969 2983 1
3176 2970 2971 1
3177 2970 2974 1
3178 2970 2975 1
3179 2971 2972 1
3180 2971 2976 1
3181 2971 2977 1
3182 2972 2973 1
3183 2972 2978 1
3184 2972 2979 1
3185 2973 2980 1
3186 2973 2981 1
3187 2982 2984 1
3188 2983 2985 1
3189 2984 2986 1
3190 2984 2987 1
3191 2984 2988 1
3192 2985 2989 1
3193 2985 2990 1
3194 2985 2991 1
3195 2992 2993 1
3196 2992 3005 1
3197 2992 3006 1
3198 2993 2994 1
3199 2993 2997 1
3200 2993 2998 1
3201 2994 2995 1
3202 2994 2999 1
3203 2994 3000 1
3204 2995 2996 1
3205 2995 3001 1
3206 2995 3002 1
3207 2996 3003 1
3208 2996 3004 1
3209 3005 3007 1
3210 3006 3008 1
3211 3007 3009 1
3212 3007 3010 1
3213 3007 3011 1
3214 3008 3012 1
3215 3008 3013 1
3216 3008 3014 1
3217 3015 3016 1
3218 3015 3028 1
3219 3015 3029 1
3220 3016 3017 1
3221 3016 3020 1
3222 3016 3021 1
3223 3017 3018 1
3224 3017 3022 1
3225 3017 3023 1
3226 3018 3019 1
3227 3018 3024 1
3228 3018 3025 1
3229 3019 3026 1
3230 3019 3027 1
3231 3028 3030 1
3232 3029 3031 1
3233 3030 3032 1
3234 3030 3033 1
3235 3030 3034 1
3236 3031 3035 1
3237 3031 3036 1
3238 3031 3037 1
3239 3038 3039 1
3240 3038 3051 1
3241 3038 3052 1
3242 3039 3040 1
3243 3039 3043 1
3244 3039 3044 1
3245 3040 3041 1
3246 3040 3045 1
3247 3040 3046 1
3248 3041 3042 1
3249 3041 3047 1
3250 3041 3048 1
3251 3042 3049 1
3252 3042 3050 1
3253 3051 3053 1
3254 3052 3054 1
3255 3053 3055 1
3256 3053 3056 1
3257 3053 3057 1
3258 3054 3058 1
3259 3054 3059 1
3260 3054 3060 1
3261 3061 3062 1
3262 3061 3074 1
3263 3061 3075 1
3264 3062 3063 1
3265 3062 3066 1
3266 3062 3067 1
3267 3063 3064 1
3268 3063 3068 1
3269 3063 3069 1
3270 3064 3065 1
3271 3064 3070 1
3272 3064 3071 1
3273 3065 3072 1
3274 3065 3073 1
3275 3074 3076 1
3276 3075 3077 1
3277 3076 3078 1
3278 3076 3079 1
3279 3076 3080 1
3280 3077 3081 1
3281 3077 3082 1
3282 3077 3083 1
3283 3084 3085 1
3284 3084 3097 1
3285 3084 3098 1
3286 3085 3086 1
3287 3085 3089 1
3288 3085 3090 1
3289 3086 3087 1
3290 3086 3091 1
3291 3086 3092 1
3292 3087 3088 1
3293 3087 3093 1
3294 3087 3094 1
3295 3088 3095 1
3296 3088 3096 1
3297 3097 3099 1
3298 3098 3100 1
3299 3099 3101 1
3300 3099 3102 1
3301 3099 3103 1
3302 3100 3104 1
3303 3100 3105 1
3304 3100 3106 1
3305 3107 3108 1
3306 3107 3120 1
3307 3107 3121 1
3308 3108 3109 1
3309 3108 3112 1
3310 3108 3113 1
3311 3109 3110 1
3312 3109 3114 1
3313 3109 3115 1
3314 3110 3111 1
3315 3110 3116 1
3316 3110 3117 1
3317 3111 3118 1
3318 3111 3119 1
3319 3120 3122 1
3320 3121 3123 1
3321 3122 3124 1
3322 3122 3125 1
3323 3122 3126 1
3324 3123 3127 1
3325 3123 3128 1
3326 3123 3129 1
3327 3130 3131 1
3328 3130 3143 1
3329 3130 3144 1
3330 3131 3132 1
3331 3131 3135 1
3332 3131 3136 1
3333 3132 3133 1
3334 3132 3137 1
3335 3132 3138 1
3336 3133 3134 1
3337 3133 3139 1
3338 3133 3140 1
3339 3134 3141 1
3340 3134 3142 1
3341 3143 3145 1
3342 3144 3146 1
3343 3145 3147 1
3344 3145 3148 1
3345 3145 3149 1
3346 3146 3150 1
3347 3146 3151 1
3348 3146 3152 1
3349 3153 3154 1
3350 3153 3166 1
3351 3153 3167 1
3352 3154 3155 1
3353 3154 3158 1
3354 3154 3159 1
3355 3155 3156 1
3356 3155 3160 1
3357 3155 3161 1
3358 3156 3157 1
3359 3156 3162 1
3360 3156 3163 1
3361 3157 3164 1
3362 3157 3165 1
3363 3166 3168 1
3364 3167 3169 1
3365 3168 3170 1
3366 3168 3171 1
3367 3168 3172 1
3368 3169 3173 1
3369 3169 3174 1
3370 3169 3175 1
3371 3176 3177 1
3372 3176 3189 1
3373 3176 3190 1
3374 3177 3178 1
3375 3177 3181 1
3376 3177 3182 1
3377 3178 3179 1
3378 3178 3183 1
3379 3178 3184 1
3380 3179 3180 1
3381 3179 3185 1
3382 3179 3186 1
3383 3180 3187 1
3384 3180 3188 1
3385 3189 3191 1
3386 3190 3192 1
3387 3191 3193 1
3388 3191 3194 1
3389 3191 3195 1
3390 3192 3196 1
3391 3192 3197 1
3392 3192 3198 1
3393 3199 3200 1
3394 3199 3212 1
3395 3199 3213 1
3396 3200 3201 1
3397 3200 3204 1
3398 3200 3205 1
3399 3201 3202 1
3400 3201 3206 1
3401 3201 3207 1
3402 3202 3203 1
3403 3202 3208 1
3404 3202 3209 1
3405 3203 3210 1
3406 3203 3211 1
3407 3212 3214 1
3408 3213 3215 1
3409 3214 3216 1
3410 3214 3217 1
3411 3214 3218 1
3412 3215 3219 1
3413 3215 3220 1
3414 3215 3221 1
3415 3222 3223 1
3416 3222 3235 1
3417 3222 3236 1
3418 3223 3224 1
3419 3223 3227 1
3420 3223 3228 1
3421 3224 3225 1
3422 3224 3229 1
3423 3224 3230 1
3424 3225 3226 1
3425 3225 3231 1
3426 3225 3232 1
3427 3226 3233 1
3428 3226 3234 1
3429 3235 3237 1
3430 3236 3238 1
3431 3237 3239 1
3432 3237 3240 1
3433 3237 3241 1
3434 3238 3242 1
3435 3238 3243 1
3436 3238 3244 1
3437 3245 3246 1
3438 3245 3258 1
3439 3245 3259 1
3440 3246 3247 1
3441 3246 3250 1
3442 3246 3251 1
3443 3247 3248 1
3444 3247 3252 1
3445 3247 3253 1
3446 3248 3249 1
3447 3248 3254 1
3448 3248 3255 1
3449 3249 3256 1
3450 3249 3257 1
3451 3258 3260 1
3452 3259 3261 1
3453 3260 3262 1
3454 3260 3263 1
3455 3260 3264 1
3456 3261 3265 1
3457 3261 3266 1
3458 3261 3267 1
3459 3268 3269 1
3460 3268 3281 1
3461 3268 3282 1
3462 3269 3270 1
3463 3269 3273 1
3464 3269 3274 1
3465 3270 3271 1
3466 3270 3275 1
3467 3270 3276 1
3468 3271 3272 1
3469 3271 3277 1
3470 3271 3278 1
3471 3272 3279 1
3472 3272 3280 1
3473 3281 3283 1
3474 3282 3284 1
3475 3283 3285 1
3476 3283 3286 1
3477 3283 3287 1
3478 3284 3288 1
3479 3284 3289 1
3480 3284 3290 1
3481 3291 3292 1
3482 3291 3304 1
3483 3291 3305 1
3484 3292 3293 1
3485 3292 3296 1
3486 3292 3297 1
3487 3293 3294 1
3488 3293 3298 1
3489 3293 3299 1
3490 3294 3295 1
3491 3294 3300 1
3492 3294 3301 1
3493 3295 3302 1
3494 3295 3303 1
3495 3304 3306 1
3496 3305 3307 1
3497 3306 3308 1
3498 3306 3309 1
3499 3306 3310 1
3500 3307 3311 1
3501 3307 3312 1
3502 3307 3313 1
3503 3314 3315 1
3504 3314 3327 1
3505 3314 3328 1
3506 3315 3316 1
3507 3315 3319 1
3508 3315 3320 1
3509 3316 3317 1
3510 3316 3321 1
3511 3316 3322 1
3512 3317 3318 1
3513 3317 3323 1
3514 3317 3324 1
3515 3318 3325 1
3516 3318 3326 1
3517 3327 3329 1
3518 3328 3330 1
3519 3329 3331 1
3520 3329 3332 1
3521 3329 3333 1
3522 3330 3334 1
3523 3330 3335 1
3524 3330 3336 1
3525 3337 3338 1
3526 3337 3350 1
3527 3337 3351 1
3528 3338 3339 1
3529 3338 3342 1
3530 3338 3343 1
3531 3339 3340 1
3532 3339 3344 1
3533 3339 3345 1
3534 3340 3341 1
3535 3340 3346 1
3536 3340 3347 1
3537 3341 3348 1
3538 3341 3349 1
3539 3350 3352 1
3540 3351 3353 1
3541 3352 3354 1
3542 3352 3355 1
3543 3352 3356 1
3544 3353 3357 1
3545 3353 3358 1
3546 3353 3359 1
3547 3360 3361 1
3548 3360 3373 1
3549 3360 3374 1
3550 3361 3362 1
3551 3361 3365 1
3552 3361 3366 1
3553 3362 3363 1
3554 3362 3367 1
3555 3362 3368 1
3556 3363 3364 1
3557 3363 3369 1
3558 3363 3370 1
3559 3364 3371 1
3560 3364 3372 1
3561 3373 3375 1
3562 3374 3376 1
3563 3375 3377 1
3564 3375 3378 1
3565 3375 3379 1
3566 3376 3380 1
3567 3376 3381 1
3568 3376 3382 1
3569 3383 3384 1
3570 3383 3396 1
3571 3383 3397 1
3572 3384 3385 1
3573 3384 3388 1
3574 3384 3389 1
3575 3385 3386 1
3576 3385 3390 1
3577 3385 3391 1
3578 3386 3387 1
3579 3386 3392 1
3580 3386 3393 1
3581 3387 3394 1
3582 3387 3395 1
3583 3396 3398 1
3584 3397 3399 1
3585 3398 3400 1
3586 3398 3401 1
3587 3398 3402 1
3588 3399 3403 1
3589 3399 3404 1
3590 3399 3405 1
3591 3406 3407 1
3592 3406 3419 1
3593 3406 3420 1
3594 3407 3408 1
3595 3407 3411 1
3596 3407 3412 1
3597 3408 3409 1
3598 3408 3413 1
3599 3408 3414 1
3600 3409 3410 1
3601 3409 3415 1
3602 3409 3416 1
3603 3410 3417 1
3604 3410 3418 1
3605 3419 3421 1
3606 3420 3422 1
3607 3421 3423 1
3608 3421 3424 1
3609 3421 3425 1
3610 3422 3426 1
3611 3422 3427 1
3612 3422 3428 1
3613 3429 3430 1
3614 3429 3442 1
3615 3429 3443 1
3616 3430 3431 1
3617 3430 3434 1
3618 3430 3435 1
3619 3431 3432 1
3620 3431 3436 1
3621 3431 3437 1
3622 3432 3433 1
3623 3432 3438 1
3624 3432 3439 1
3625 3433 3440 1
3626 3433 3441 1
3627 3442 3444 1
3628 3443 3445 1
3629 3444 3446 1
3630 3444 3447 1
3631 3444 3448 1
3632 3445 3449 1
3633 3445 3450 1
3634 3445 3451 1
3635 3452 3453 1
3636 3452 3465 1
3637 3452 3466 1
3638 3453 3454 1
3639 3453 3457 1
3640 3453 3458 1
3641 3454 3455 1
3642 3454 3459 1
3643 3454 3460 1
3644 3455 3456 1
3645 3455 3461 1
3646 3455 3462 1
3647 3456 3463 1
3648 3456 3464 1
3649 3465 3467 1
3650 3466 3468 1
3651 3467 3469 1
3652 3467 3470 1
3653 3467 3471 1
3654 3468 3472 1
3655 3468 3473 1
3656 3468 3474 1
3657 3475 3476 1
3658 3475 3488 1
3659 3475 3489 1
3660 3476 3477 1
3661 3476 3480 1
3662 3476 3481 1
3663 3477 3478 1
3664 3477 3482 1
3665 3477 3483 1
3666 3478 3479 1
3667 3478 3484 1
3668 3478 3485 1
3669 3479 3486 1
3670 3479 3487 1
3671 3488 3490 1
3672 3489 3491 1
3673 3490 3492 1
3674 3490 3493 1
3675 3490 3494 1
3676 3491 3495 1
3677 3491 3496 1
3678 3491 3497 1
3679 3498 3499 1
3680 3498 3511 1
3681 3498 3512 1
3682 3499 3500 1
3683 3499 3503 1
3684 3499 3504 1
3685 3500 3501 1
3686 3500 3505 1
3687 3500 3506 1
3688 3501 3502 1
3689 3501 3507 1
3690 3501 3508 1
3691 3502 3509 1
3692 3502 3510 1
3693 3511 3513 1
3694 3512 3514 1
3695 3513 3515 1
3696 3513 3516 1
3697 3513 3517 1
3698 3514 3518 1
3699 3514 3519 1
3700 3514 3520 1
@<TRIPOS>SUBSTRUCTURE
1 SUR 1 **** 0 **** ****
2 APT 1221 **** 0 **** ****
#REF:amberlist help "DOCK Amber Score Tetrahedrally Bonded Silicon"
MASS
Si 28.08
O 16.00
BOND
O -Si 314.1 1.61 zero force (distance from mol2 file)
O -c3 301.5 1.439 gaff c3-os
O -O 384.3 1.61 zero force (distance from mol2 file)
ANGLE
Si-O -Si 65.0 143.70 gaff Si -> c3 Vashishta et al -zero force
Si-O -c3 62.1 113.41 gaff c3-os-c3
c3-O -c3 64.0 122.65
O -Si-O 70.0 109.55 gaff Si -> c3 Vashishta et al -zero force
O -c3-O 70.0 109.55
O -c3-os 70.0 109.55
O -O -Si 65.6 103.00 gaff c3-os-o zero force
O -O -O 62.8 114.68 gaff o -os-o
O -c3-c3 67.7 109.43
O -Si-c3 67.7 109.43
DIHE
O -O -O -Si 1 1.0 0.0 1. gaff X-os-os-X
O -O -Si-O 1 1.0 0.0 1.
O -Si-O -Si 1 0.0 0.0 1. gaff Si -> c3 -I set PK to zero, so torsional force is zero
O -Si-c3-c3 6 0.000 0.000 2.000
O -Si-O -c3 1 1.4 180.0 1. gaff o-c-os-c3
O -c3-os-c3 1 1.4 180.0 1. gaff o-c-os-c3
Si-O -Si-O 1 0.0 0.0 1. -PK set to zero, see above
Si-O -c3-O 3 1.15 0.0 3 gaff X-c3-os-X
Si-O -c3-os 3 1.15 0.0 3
Si-O -c3-c3 3 1.15 0.0 3
IMPROPER
Si-c3-c3-c3 1.1 180.0 2.0
NONBON
Si 2.220 0.320 #DOCK vdw_AMBER_parm99.defn
O 1.6837 0.1700 same as os from gaff
-------------------------------------------------------
Amber 10 SANDER 2008
-------------------------------------------------------
| Run on 12/08/2009 at 11:35:44
[-O]verwriting output
File Assignments:
| MDIN: min1.in
| MDOUT: csurcnwmn1.out
|INPCRD: csurcnw.inpcrd
| PARM: csurcnw.prmtop
|RESTRT: csurcnwmn1.rst
| REFC: csurcnw.inpcrd
| MDVEL: mdvel
| MDEN: mden
| MDCRD: mdcrd
|MDINFO: mdinfo
|INPDIP: inpdip
|RSTDIP: rstdip
|INPTRA: inptraj
|
Here is the input file:
System minimization -fixed Surface and functional groups
&cntrl
imin = 1,
maxcyc = 1000,
ncyc = 500,
ntf = 2,
ntc = 2,
ntb = 1,
ntr = 1,
iwrap = 1,
cut = 12
/
Hold the Surface-APTMS fixed
40.0
RES 1 2
END
END
--------------------------------------------------------------------------------
1. RESOURCE USE:
--------------------------------------------------------------------------------
| Flags: MPI
getting new box info from bottom of inpcrd
| INFO: Old style inpcrd file read
| peek_ewald_inpcrd: Box info found
|Largest sphere to fit in unit cell has radius = 20.068
| New format PARM file being parsed.
| Version = 1.000 Date = 12/07/09 Time = 14:46:09
NATOM = 20959 NTYPES = 9 NBONH = 18839 MBONA = 2300
NTHETH = 3000 MTHETA = 3620 NPHIH = 3500 MPHIA = 5540
NHPARM = 0 NPARM = 0 NNB = 42032 NRES = 5815
NBONA = 2300 NTHETA = 3620 NPHIA = 5540 NUMBND = 11
NUMANG = 19 NPTRA = 18 NATYP = 10 NPHB = 1
IFBOX = 1 NMXRS = 2300 IFCAP = 0 NEXTRA = 0
NCOPY = 0
| Memory Use Allocated
| Real 1488109
| Hollerith 131571
| Integer 683194
| Max Pairs 1597541
| nblistReal 251508
| nblist Int 677245
| Total 25659 kbytes
| Duplicated 0 dihedrals
| Duplicated 0 dihedrals
BOX TYPE: RECTILINEAR
--------------------------------------------------------------------------------
2. CONTROL DATA FOR THE RUN
--------------------------------------------------------------------------------
SUR
General flags:
imin = 1, nmropt = 0
Nature and format of input:
ntx = 1, irest = 0, ntrx = 1
Nature and format of output:
ntxo = 1, ntpr = 50, ntrx = 1, ntwr = 500
iwrap = 1, ntwx = 0, ntwv = 0, ntwe = 0
ioutfm = 0, ntwprt = 0, idecomp = 0, rbornstat= 0
Potential function:
ntf = 2, ntb = 1, igb = 0, nsnb = 25
ipol = 0, gbsa = 0, iesp = 0
dielc = 1.00000, cut = 12.00000, intdiel = 1.00000
scnb = 2.00000, scee = 1.20000
Frozen or restrained atoms:
ibelly = 0, ntr = 1
Energy minimization:
maxcyc = 1000, ncyc = 500, ntmin = 1
dx0 = 0.01000, drms = 0.00010
SHAKE:
ntc = 2, jfastw = 0
tol = 0.00001
Ewald parameters:
verbose = 0, ew_type = 0, nbflag = 1, use_pme = 1
vdwmeth = 1, eedmeth = 1, netfrc = 0
Box X = 69.814 Box Y = 98.441 Box Z = 40.136
Alpha = 90.000 Beta = 90.000 Gamma = 90.000
NFFT1 = 72 NFFT2 = 100 NFFT3 = 40
Cutoff= 12.000 Tol =0.100E-04
Ewald Coefficient = 0.22664
Interpolation order = 4
| MPI Timing options:
| profile_mpi = 0
LOADING THE CONSTRAINED ATOMS AS GROUPS
5. REFERENCE ATOM COORDINATES
SUR
----- READING GROUP 1; TITLE:
Hold the Surface-APTMS fixed
GROUP 1 HAS HARMONIC CONSTRAINTS 40.00000
GRP 1 RES 1 TO 2
Number of atoms in this group = 3520
----- END OF GROUP READ -----
--------------------------------------------------------------------------------
3. ATOMIC COORDINATES AND VELOCITIES
--------------------------------------------------------------------------------
SUR
begin time read from input coords = 0.000 ps
Number of triangulated 3-point waters found: 5813
| Atom division among processors:
| 0 3520 3520 3928 5236 6547 7855 9163
| 10474 11782 13090 14401 15709 17017 18328 19636
| 20959
Sum of charges from parm topology file = 0.00000000
Forcing neutrality...
| Running AMBER/MPI version on 16 nodes
--------------------------------------------------------------------------------
4. RESULTS
--------------------------------------------------------------------------------
---------------------------------------------------
APPROXIMATING switch and d/dx switch using CUBIC SPLINE INTERPOLATION
using 5000.0 points per unit in tabled values
TESTING RELATIVE ERROR over r ranging from 0.0 to cutoff
| CHECK switch(x): max rel err = 0.2738E-14 at 2.422500
| CHECK d/dx switch(x): max rel err = 0.7967E-11 at 2.716640
---------------------------------------------------
| Local SIZE OF NONBOND LIST = 875815
| TOTAL SIZE OF NONBOND LIST = 9266687
***** Processor 0
***** System must be very inhomogeneous.
***** Readjusting recip sizes.
In this slab, Atoms found: 4251 Allocated: 4191
NSTEP ENERGY RMS GMAX NAME NUMBER
1 1.2858E+05 3.7305E+02 4.8973E+03 H507 3335
BOND = 5242.6357 ANGLE = 26720.1614 DIHED = 2963.6446
VDWAALS = 170419.4332 EEL = 100757.8615 HBOND = 0.0000
1-4 VDW = 41425.2882 1-4 EEL = -219114.4585 RESTRAINT = 167.4382
EAMBER = 128414.5660
NSTEP ENERGY RMS GMAX NAME NUMBER
50 -6.7839E+04 1.4281E+01 9.4877E+01 H30c 2504
BOND = 8473.1177 ANGLE = 22324.8427 DIHED = 2884.2829
VDWAALS = 11696.4636 EEL = 89972.0206 HBOND = 0.0000
1-4 VDW = 4836.8995 1-4 EEL = -222236.9301 RESTRAINT = 14210.2613
EAMBER = -82049.3033
NSTEP ENERGY RMS GMAX NAME NUMBER
100 -6.8368E+04 1.3571E+01 1.0973E+02 H30c 2504
BOND = 7904.9762 ANGLE = 21534.6227 DIHED = 2855.1645
VDWAALS = 10735.7654 EEL = 90751.1159 HBOND = 0.0000
1-4 VDW = 4667.1939 1-4 EEL = -222585.5885 RESTRAINT = 15768.7439
EAMBER = -84136.7498
NSTEP ENERGY RMS GMAX NAME NUMBER
150 -6.8368E+04 1.3571E+01 1.0974E+02 H30c 2504
BOND = 7904.9677 ANGLE = 21534.6148 DIHED = 2855.1646
VDWAALS = 10735.7588 EEL = 90751.1329 HBOND = 0.0000
1-4 VDW = 4667.1912 1-4 EEL = -222585.5919 RESTRAINT = 15768.7617
EAMBER = -84136.7617
NSTEP ENERGY RMS GMAX NAME NUMBER
200 -6.8368E+04 1.3571E+01 1.0974E+02 H30c 2504
BOND = 7904.9599 ANGLE = 21534.6077 DIHED = 2855.1647
VDWAALS = 10735.7446 EEL = 90751.1451 HBOND = 0.0000
1-4 VDW = 4667.1899 1-4 EEL = -222585.5942 RESTRAINT = 15768.7814
EAMBER = -84136.7824
NSTEP ENERGY RMS GMAX NAME NUMBER
250 -6.8368E+04 1.3571E+01 1.0974E+02 H30c 2504
BOND = 7904.9515 ANGLE = 21534.6000 DIHED = 2855.1647
VDWAALS = 10735.7413 EEL = 90751.1597 HBOND = 0.0000
1-4 VDW = 4667.1873 1-4 EEL = -222585.5973 RESTRAINT = 15768.7953
EAMBER = -84136.7929
NSTEP ENERGY RMS GMAX NAME NUMBER
300 -6.8368E+04 1.3571E+01 1.0974E+02 H30c 2504
BOND = 7904.9425 ANGLE = 21534.5910 DIHED = 2855.1648
VDWAALS = 10735.7252 EEL = 90751.1734 HBOND = 0.0000
1-4 VDW = 4667.1855 1-4 EEL = -222585.6005 RESTRAINT = 15768.8192
EAMBER = -84136.8181
NSTEP ENERGY RMS GMAX NAME NUMBER
350 -6.8368E+04 1.3571E+01 1.0974E+02 H30c 2504
BOND = 7904.9325 ANGLE = 21534.5815 DIHED = 2855.1649
VDWAALS = 10735.7196 EEL = 90751.1912 HBOND = 0.0000
1-4 VDW = 4667.1827 1-4 EEL = -222585.6040 RESTRAINT = 15768.8405
EAMBER = -84136.8316
NSTEP ENERGY RMS GMAX NAME NUMBER
400 -6.8368E+04 1.3571E+01 1.0974E+02 H30c 2504
BOND = 7904.9265 ANGLE = 21534.5756 DIHED = 2855.1650
VDWAALS = 10735.7124 EEL = 90751.2012 HBOND = 0.0000
1-4 VDW = 4667.1806 1-4 EEL = -222585.6061 RESTRAINT = 15768.8536
EAMBER = -84136.8447
NSTEP ENERGY RMS GMAX NAME NUMBER
450 -6.8368E+04 1.3571E+01 1.0974E+02 H30c 2504
BOND = 7904.9146 ANGLE = 21534.5640 DIHED = 2855.1651
VDWAALS = 10735.7035 EEL = 90751.2224 HBOND = 0.0000
1-4 VDW = 4667.1776 1-4 EEL = -222585.6103 RESTRAINT = 15768.8820
EAMBER = -84136.8631
NSTEP ENERGY RMS GMAX NAME NUMBER
500 -6.8368E+04 1.3571E+01 1.0974E+02 H30c 2504
BOND = 7904.9071 ANGLE = 21534.5563 DIHED = 2855.1652
VDWAALS = 10735.6951 EEL = 90751.2407 HBOND = 0.0000
1-4 VDW = 4667.1751 1-4 EEL = -222585.6132 RESTRAINT = 15768.8990
EAMBER = -84136.8737
.... RESTARTED DUE TO LINMIN FAILURE ...
NSTEP ENERGY RMS GMAX NAME NUMBER
550 -6.8368E+04 1.3571E+01 1.0974E+02 H30c 2504
BOND = 7904.9061 ANGLE = 21534.5551 DIHED = 2855.1652
VDWAALS = 10735.6894 EEL = 90751.2427 HBOND = 0.0000
1-4 VDW = 4667.1757 1-4 EEL = -222585.6136 RESTRAINT = 15768.9018
EAMBER = -84136.8793
NSTEP ENERGY RMS GMAX NAME NUMBER
600 -6.8368E+04 1.3571E+01 1.0974E+02 H30c 2504
BOND = 7904.9042 ANGLE = 21534.5532 DIHED = 2855.1652
VDWAALS = 10735.6875 EEL = 90751.2461 HBOND = 0.0000
1-4 VDW = 4667.1752 1-4 EEL = -222585.6143 RESTRAINT = 15768.9065
EAMBER = -84136.8830
.... RESTARTED DUE TO LINMIN FAILURE ...
NSTEP ENERGY RMS GMAX NAME NUMBER
650 -6.8368E+04 1.3571E+01 1.0974E+02 H30c 2504
BOND = 7904.8885 ANGLE = 21534.5381 DIHED = 2855.1653
VDWAALS = 10735.6704 EEL = 90751.2719 HBOND = 0.0000
1-4 VDW = 4667.1728 1-4 EEL = -222585.6197 RESTRAINT = 15768.9473
EAMBER = -84136.9127
NSTEP ENERGY RMS GMAX NAME NUMBER
700 -6.8368E+04 1.3571E+01 1.0974E+02 H30c 2504
BOND = 7904.8824 ANGLE = 21534.5323 DIHED = 2855.1654
VDWAALS = 10735.6647 EEL = 90751.2839 HBOND = 0.0000
1-4 VDW = 4667.1706 1-4 EEL = -222585.6218 RESTRAINT = 15768.9549
EAMBER = -84136.9225
NSTEP ENERGY RMS GMAX NAME NUMBER
750 -6.8368E+04 1.3571E+01 1.0974E+02 H30c 2504
BOND = 7904.8780 ANGLE = 21534.5278 DIHED = 2855.1654
VDWAALS = 10735.6658 EEL = 90751.2929 HBOND = 0.0000
1-4 VDW = 4667.1674 1-4 EEL = -222585.6236 RESTRAINT = 15768.9646
EAMBER = -84136.9262
NSTEP ENERGY RMS GMAX NAME NUMBER
800 -6.8368E+04 1.3571E+01 1.0974E+02 H30c 2504
BOND = 7904.8731 ANGLE = 21534.5223 DIHED = 2855.1655
VDWAALS = 10735.6483 EEL = 90751.3017 HBOND = 0.0000
1-4 VDW = 4667.1684 1-4 EEL = -222585.6253 RESTRAINT = 15768.9794
EAMBER = -84136.9460
NSTEP ENERGY RMS GMAX NAME NUMBER
850 -6.8368E+04 1.3571E+01 1.0974E+02 H30c 2504
BOND = 7904.8679 ANGLE = 21534.5181 DIHED = 2855.1655
VDWAALS = 10735.6523 EEL = 90751.3105 HBOND = 0.0000
1-4 VDW = 4667.1656 1-4 EEL = -222585.6269 RESTRAINT = 15768.9873
EAMBER = -84136.9471
NSTEP ENERGY RMS GMAX NAME NUMBER
900 -6.8368E+04 1.3571E+01 1.0974E+02 H30c 2504
BOND = 7904.8651 ANGLE = 21534.5153 DIHED = 2855.1655
VDWAALS = 10735.6434 EEL = 90751.3157 HBOND = 0.0000
1-4 VDW = 4667.1663 1-4 EEL = -222585.6278 RESTRAINT = 15768.9964
EAMBER = -84136.9565
NSTEP ENERGY RMS GMAX NAME NUMBER
950 -6.8368E+04 1.3571E+01 1.0974E+02 H30c 2504
BOND = 7904.8574 ANGLE = 21534.5077 DIHED = 2855.1656
VDWAALS = 10735.6378 EEL = 90751.3290 HBOND = 0.0000
1-4 VDW = 4667.1632 1-4 EEL = -222585.6307 RESTRAINT = 15769.0119
EAMBER = -84136.9701
NSTEP ENERGY RMS GMAX NAME NUMBER
1000 -6.8368E+04 1.3571E+01 1.0974E+02 H30c 2504
BOND = 7904.8525 ANGLE = 21534.5030 DIHED = 2855.1656
VDWAALS = 10735.6351 EEL = 90751.3387 HBOND = 0.0000
1-4 VDW = 4667.1615 1-4 EEL = -222585.6325 RESTRAINT = 15769.0234
EAMBER = -84136.9761
Maximum number of minimization cycles reached.
FINAL RESULTS
NSTEP ENERGY RMS GMAX NAME NUMBER
1000 -6.8368E+04 1.3571E+01 1.0974E+02 H30c 2504
BOND = 7904.8525 ANGLE = 21534.5030 DIHED = 2855.1656
VDWAALS = 10735.6351 EEL = 90751.3387 HBOND = 0.0000
1-4 VDW = 4667.1615 1-4 EEL = -222585.6325 RESTRAINT = 15769.0234
EAMBER = -84136.9761
--------------------------------------------------------------------------------
5. TIMINGS
--------------------------------------------------------------------------------
| Read coords time 0.02 ( 0.03% of Total)
| Fast Water setup 0.01 ( 0.01% of Total)
| Build the list 0.20 (16.91% of List )
| Other 0.96 (83.09% of List )
| List time 1.16 ( 2.02% of Nonbo)
| Short_ene time 39.43 (93.02% of Direc)
| Other 2.96 ( 6.98% of Direc)
| Direct Ewald time 42.39 (75.67% of Ewald)
| Adjust Ewald time 0.24 ( 0.43% of Ewald)
| Self Ewald time 0.01 ( 0.02% of Ewald)
| Fill Bspline coeffs 1.74 (17.25% of Recip)
| Fill charge grid 0.85 ( 8.46% of Recip)
| Scalar sum 1.07 (10.62% of Recip)
| Grad sum 1.30 (12.90% of Recip)
| FFT back comm time 3.69 (72.38% of FFT t)
| Other 1.41 (27.62% of FFT t)
| FFT time 5.10 (50.42% of Recip)
| Other 0.03 ( 0.34% of Recip)
| Recip Ewald time 10.11 (18.04% of Ewald)
| Force Adjust 1.86 ( 3.32% of Ewald)
| Virial junk 1.23 ( 2.19% of Ewald)
| Start sycnronization 0.00 ( 0.01% of Ewald)
| Other 0.19 ( 0.34% of Ewald)
| Ewald time 56.02 (97.96% of Nonbo)
| Other 0.00 ( 0.01% of Nonbo)
| Nonbond force 57.18 (88.88% of Force)
| Bond/Angle/Dihedral 0.32 ( 0.49% of Force)
| FRC Collect time 4.61 ( 7.16% of Force)
| Other 2.23 ( 3.47% of Force)
| Force time 64.34 (100.0% of Runmd)
| Runmd Time 64.34 (94.00% of Total)
| Other 4.07 ( 5.95% of Total)
| Total time 68.44 (100.0% of ALL )
| Highest rstack allocated: 200970
| Highest istack allocated: 5668
| Job began at 11:35:44.577 on 12/08/2009
| Setup done at 11:35:45.637 on 12/08/2009
| Run done at 11:36:53.058 on 12/08/2009
| wallclock() was called 44012 times
-------------------------------------------------------
Amber 10 SANDER 2008
-------------------------------------------------------
| Run on 12/08/2009 at 11:36:54
[-O]verwriting output
File Assignments:
| MDIN: min2.in
| MDOUT: csurcnwmn2.out
|INPCRD: csurcnwmn1.rst
| PARM: csurcnw.prmtop
|RESTRT: csurcnwmn2.rst
| REFC: csurcnw.inpcrd
| MDVEL: mdvel
| MDEN: mden
| MDCRD: mdcrd
|MDINFO: mdinfo
|INPDIP: inpdip
|RSTDIP: rstdip
|INPTRA: inptraj
|
Here is the input file:
System minimization -fixed surface
&cntrl
imin = 1,
maxcyc = 20000,
ncyc = 10000,
ntb = 1,
ntr = 1,
iwrap = 1,
cut = 12
/
Hold Surface fixed
40.0
RES 1 1
END
END
--------------------------------------------------------------------------------
1. RESOURCE USE:
--------------------------------------------------------------------------------
| Flags: MPI
getting new box info from bottom of inpcrd
| INFO: Old style inpcrd file read
| peek_ewald_inpcrd: Box info found
|Largest sphere to fit in unit cell has radius = 20.068
| New format PARM file being parsed.
| Version = 1.000 Date = 12/07/09 Time = 14:46:09
NATOM = 20959 NTYPES = 9 NBONH = 18839 MBONA = 2300
NTHETH = 3000 MTHETA = 3620 NPHIH = 3500 MPHIA = 5540
NHPARM = 0 NPARM = 0 NNB = 42032 NRES = 5815
NBONA = 2300 NTHETA = 3620 NPHIA = 5540 NUMBND = 11
NUMANG = 19 NPTRA = 18 NATYP = 10 NPHB = 1
IFBOX = 1 NMXRS = 2300 IFCAP = 0 NEXTRA = 0
NCOPY = 0
| Memory Use Allocated
| Real 1488109
| Hollerith 131571
| Integer 683194
| Max Pairs 1597541
| nblistReal 251508
| nblist Int 677245
| Total 25659 kbytes
| Duplicated 0 dihedrals
| Duplicated 0 dihedrals
BOX TYPE: RECTILINEAR
--------------------------------------------------------------------------------
2. CONTROL DATA FOR THE RUN
--------------------------------------------------------------------------------
SUR
General flags:
imin = 1, nmropt = 0
Nature and format of input:
ntx = 1, irest = 0, ntrx = 1
Nature and format of output:
ntxo = 1, ntpr = 50, ntrx = 1, ntwr = 500
iwrap = 1, ntwx = 0, ntwv = 0, ntwe = 0
ioutfm = 0, ntwprt = 0, idecomp = 0, rbornstat= 0
Potential function:
ntf = 1, ntb = 1, igb = 0, nsnb = 25
ipol = 0, gbsa = 0, iesp = 0
dielc = 1.00000, cut = 12.00000, intdiel = 1.00000
scnb = 2.00000, scee = 1.20000
Frozen or restrained atoms:
ibelly = 0, ntr = 1
Energy minimization:
maxcyc = 20000, ncyc = 10000, ntmin = 1
dx0 = 0.01000, drms = 0.00010
Ewald parameters:
verbose = 0, ew_type = 0, nbflag = 1, use_pme = 1
vdwmeth = 1, eedmeth = 1, netfrc = 0
Box X = 69.814 Box Y = 98.441 Box Z = 40.136
Alpha = 90.000 Beta = 90.000 Gamma = 90.000
NFFT1 = 72 NFFT2 = 100 NFFT3 = 40
Cutoff= 12.000 Tol =0.100E-04
Ewald Coefficient = 0.22664
Interpolation order = 4
| MPI Timing options:
| profile_mpi = 0
LOADING THE CONSTRAINED ATOMS AS GROUPS
5. REFERENCE ATOM COORDINATES
SUR
----- READING GROUP 1; TITLE:
Hold Surface fixed
GROUP 1 HAS HARMONIC CONSTRAINTS 40.00000
GRP 1 RES 1 TO 1
Number of atoms in this group = 1220
----- END OF GROUP READ -----
--------------------------------------------------------------------------------
3. ATOMIC COORDINATES AND VELOCITIES
--------------------------------------------------------------------------------
SUR
begin time read from input coords = 0.000 ps
Number of triangulated 3-point waters found: 5813
| Atom division among processors:
| 0 3520 3520 3928 5236 6547 7855 9163
| 10474 11782 13090 14401 15709 17017 18328 19636
| 20959
Sum of charges from parm topology file = 0.00000000
Forcing neutrality...
| Running AMBER/MPI version on 16 nodes
--------------------------------------------------------------------------------
4. RESULTS
--------------------------------------------------------------------------------
---------------------------------------------------
APPROXIMATING switch and d/dx switch using CUBIC SPLINE INTERPOLATION
using 5000.0 points per unit in tabled values
TESTING RELATIVE ERROR over r ranging from 0.0 to cutoff
| CHECK switch(x): max rel err = 0.2738E-14 at 2.422500
| CHECK d/dx switch(x): max rel err = 0.7967E-11 at 2.716640
---------------------------------------------------
| Local SIZE OF NONBOND LIST = 860972
| TOTAL SIZE OF NONBOND LIST = 9275942
***** Processor 0
***** System must be very inhomogeneous.
***** Readjusting recip sizes.
In this slab, Atoms found: 4271 Allocated: 4191
NSTEP ENERGY RMS GMAX NAME NUMBER
1 -7.9515E+04 1.2710E+01 1.4473E+02 H202 2067
BOND = 7904.8527 ANGLE = 21534.5030 DIHED = 2855.1656
VDWAALS = 10735.6351 EEL = 90751.3387 HBOND = 0.0000
1-4 VDW = 4667.1615 1-4 EEL = -222585.6326 RESTRAINT = 4621.9738
EAMBER = -84136.9761
NSTEP ENERGY RMS GMAX NAME NUMBER
50 -1.0321E+05 6.7207E+00 7.7667E+01 H1 10224
BOND = 9630.4396 ANGLE = 16815.0734 DIHED = 2912.2742
VDWAALS = 6489.8935 EEL = 75938.8834 HBOND = 0.0000
1-4 VDW = 2827.2868 1-4 EEL = -222795.8915 RESTRAINT = 4968.7769
EAMBER = -108182.0406
NSTEP ENERGY RMS GMAX NAME NUMBER
100 -1.1332E+05 2.4854E+00 3.6272E+01 H21e 2113
BOND = 7857.2943 ANGLE = 14452.0648 DIHED = 2939.9184
VDWAALS = 6604.6700 EEL = 70845.9274 HBOND = 0.0000
1-4 VDW = 2022.9938 1-4 EEL = -222988.8017 RESTRAINT = 4946.5695
EAMBER = -118265.9329
NSTEP ENERGY RMS GMAX NAME NUMBER
150 -1.1897E+05 5.9188E+00 7.1170E+01 H2 10945
BOND = 7117.2083 ANGLE = 13226.9462 DIHED = 2987.5711
VDWAALS = 6983.1959 EEL = 67391.7346 HBOND = 0.0000
1-4 VDW = 1595.1966 1-4 EEL = -223103.6277 RESTRAINT = 4831.3348
EAMBER = -123801.7749
NSTEP ENERGY RMS GMAX NAME NUMBER
200 -1.2257E+05 3.4255E+00 4.0101E+01 H1 15555
BOND = 7400.2300 ANGLE = 12675.8644 DIHED = 3023.8501
VDWAALS = 7530.7346 EEL = 63786.8844 HBOND = 0.0000
1-4 VDW = 1445.1106 1-4 EEL = -223202.6593 RESTRAINT = 4773.0039
EAMBER = -127339.9852
NSTEP ENERGY RMS GMAX NAME NUMBER
250 -1.2529E+05 1.0425E+00 1.5112E+01 H2c6 2389
BOND = 6749.6895 ANGLE = 12218.8656 DIHED = 3061.9436
VDWAALS = 7980.5881 EEL = 61860.9746 HBOND = 0.0000
1-4 VDW = 1366.8394 1-4 EEL = -223285.9681 RESTRAINT = 4753.2192
EAMBER = -130047.0673
NSTEP ENERGY RMS GMAX NAME NUMBER
300 -1.2746E+05 2.9609E+00 3.6088E+01 H1 15555
BOND = 6403.5413 ANGLE = 11814.1188 DIHED = 3087.7179
VDWAALS = 8396.9264 EEL = 60151.6449 HBOND = 0.0000
1-4 VDW = 1318.2755 1-4 EEL = -223355.9366 RESTRAINT = 4722.1704
EAMBER = -132183.7119
NSTEP ENERGY RMS GMAX NAME NUMBER
350 -1.2944E+05 8.9722E-01 1.4556E+01 O2fd 1011
BOND = 6636.5965 ANGLE = 11381.2261 DIHED = 3105.5393
VDWAALS = 8778.0494 EEL = 58071.2129 HBOND = 0.0000
1-4 VDW = 1268.3941 1-4 EEL = -223387.7005 RESTRAINT = 4701.8894
EAMBER = -134146.6822
NSTEP ENERGY RMS GMAX NAME NUMBER
400 -1.3109E+05 2.5296E+00 3.0532E+01 H2 11116
BOND = 6927.1341 ANGLE = 11005.7657 DIHED = 3103.6125
VDWAALS = 9118.6764 EEL = 56266.6019 HBOND = 0.0000
1-4 VDW = 1220.5084 1-4 EEL = -223420.3463 RESTRAINT = 4687.3355
EAMBER = -135778.0473
NSTEP ENERGY RMS GMAX NAME NUMBER
450 -1.3254E+05 7.5943E-01 1.1463E+01 O1dd 627
BOND = 6506.4480 ANGLE = 10723.2090 DIHED = 3096.8561
VDWAALS = 9420.0986 EEL = 55317.1025 HBOND = 0.0000
1-4 VDW = 1184.0032 1-4 EEL = -223464.8328 RESTRAINT = 4678.9469
EAMBER = -137217.1153
NSTEP ENERGY RMS GMAX NAME NUMBER
500 -1.3369E+05 2.1765E+00 2.5636E+01 H2 11116
BOND = 6291.4184 ANGLE = 10515.1961 DIHED = 3084.8640
VDWAALS = 9710.9101 EEL = 54397.1183 HBOND = 0.0000
1-4 VDW = 1161.0259 1-4 EEL = -223524.3786 RESTRAINT = 4676.9522
EAMBER = -138363.8458
NSTEP ENERGY RMS GMAX NAME NUMBER
550 -1.3474E+05 6.5526E-01 8.7584E+00 H33a 2577
BOND = 6566.7068 ANGLE = 10342.8986 DIHED = 3071.6656
VDWAALS = 9977.7849 EEL = 53061.6881 HBOND = 0.0000
1-4 VDW = 1141.4472 1-4 EEL = -223576.1614 RESTRAINT = 4676.7024
EAMBER = -139413.9701
NSTEP ENERGY RMS GMAX NAME NUMBER
600 -1.3563E+05 1.8529E+00 2.0047E+01 H2 15619
BOND = 6825.1490 ANGLE = 10186.3625 DIHED = 3054.9366
VDWAALS = 10226.1408 EEL = 51898.2194 HBOND = 0.0000
1-4 VDW = 1121.4762 1-4 EEL = -223618.2323 RESTRAINT = 4676.8965
EAMBER = -140305.9480
NSTEP ENERGY RMS GMAX NAME NUMBER
650 -1.3649E+05 5.9068E-01 1.5344E+01 H159 1790
BOND = 6544.1615 ANGLE = 10045.0575 DIHED = 3037.5286
VDWAALS = 10450.7575 EEL = 51307.6318 HBOND = 0.0000
1-4 VDW = 1098.5661 1-4 EEL = -223647.9414 RESTRAINT = 4677.0244
EAMBER = -141164.2384
NSTEP ENERGY RMS GMAX NAME NUMBER
700 -1.1815E+06 1.3899E+08 1.9264E+10 H1 17484
BOND = 6676.8792 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1562 EEL = -993865.3914 HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = -1186146.3696
NSTEP ENERGY RMS GMAX NAME NUMBER
750 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
800 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
850 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
900 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
950 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
1000 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
1050 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
1100 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
1150 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
1200 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
1250 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
1300 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
1350 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
1400 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
1450 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
1500 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
1550 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
1600 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
1650 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
1700 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
1750 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
1800 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
1850 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
1900 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
1950 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
2000 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
2050 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
2100 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
2150 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
2200 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
2250 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
2300 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
2350 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
2400 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
2450 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
2500 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
2550 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
2600 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
2650 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
2700 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
2750 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
2800 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
2850 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
2900 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
2950 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
3000 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
3050 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
3100 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
3150 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
3200 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
3250 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
3300 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
3350 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
3400 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
3450 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
3500 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
3550 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
3600 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
3650 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
3700 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
3750 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
3800 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
3850 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
3900 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
3950 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
4000 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
4050 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
4100 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
4150 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
4200 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
4250 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
4300 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
4350 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
4400 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
4450 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
4500 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
4550 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
4600 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
4650 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
4700 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
4750 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
4800 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
4850 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
4900 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
4950 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
5000 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
5050 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
5100 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
5150 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
5200 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
5250 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
5300 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
5350 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
5400 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
5450 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
5500 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
5550 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
5600 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
5650 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
5700 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
5750 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
5800 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
5850 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
5900 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
5950 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
6000 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
6050 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
6100 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
6150 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
6200 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
6250 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
6300 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
6350 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
6400 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
6450 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
6500 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
6550 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
6600 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
6650 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
6700 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
6750 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
6800 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
6850 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
6900 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
6950 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
7000 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
7050 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
7100 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
7150 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
7200 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
7250 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
7300 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
7350 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
7400 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
7450 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
7500 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
7550 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
7600 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
7650 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
7700 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
7750 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
7800 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
7850 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
7900 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
7950 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
8000 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
8050 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
8100 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
8150 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
8200 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
8250 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
8300 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
8350 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
8400 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
8450 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
8500 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
8550 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
8600 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
8650 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
8700 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
8750 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
8800 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
8850 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
8900 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
8950 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
9000 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
9050 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
9100 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
9150 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
9200 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
9250 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
9300 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
9350 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
9400 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
9450 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
9500 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
9550 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
9600 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
9650 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
9700 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
9750 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
9800 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
9850 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
9900 -4.9358E+07 3.0838E+11 4.2742E+13 H36c 2659
BOND = 6676.8950 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
9950 -7.9186E+07 7.9538E+11 1.1024E+14 H36c 2659
BOND = 6676.8949 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1656 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
NSTEP ENERGY RMS GMAX NAME NUMBER
10000 -1.8872E+07 4.4679E+10 6.1925E+12 H36c 2659
BOND = 6676.8955 ANGLE = 10001.7369 DIHED = 3032.5522
VDWAALS = 10573.1660 EEL = ************* HBOND = 0.0000
1-4 VDW = 1090.1171 1-4 EEL = -223655.4199 RESTRAINT = 4677.4457
EAMBER = *************
_______________________________________________
AMBER mailing list
AMBER_at_ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
- Previous message: Anthony Pemberton: "[AMBER] myristate to palmitate transformation"
- In reply to: FyD: "Re: [AMBER] Parametrizing charges for modified DNA bases"
- Next in thread: Taufik Al-Sarraj: "[AMBER] ptraj image"
- Reply: Taufik Al-Sarraj: "[AMBER] ptraj image"
- Reply: case: "Re: [AMBER] Re: EEL = *************"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]
|
VU Home |
VUMC Home |
People Finder |
University Calendar
webmaster- modified on December 10, 2009 |