# Name: DMPC_mono # Creating user name: akshayp # Creation time: Fri Oct 6 10:11:55 2006 # Modifying user name: akshayp # Modification time: Fri Oct 6 10:22:27 2006 @MOLECULE DMPC_mono 118 117 1 1 1 BIOPOLYMER MMFF94_CHARGES @DICT BIOPOLYMER macromol @ATOM 1 CN1 14.3739 4.9318 20.6864 C.3 1 DMP1 0.5030 2 CN2 14.8519 3.7989 22.7865 C.3 1 DMP1 0.5030 3 CN3 13.9854 2.5413 20.8915 C.3 1 DMP1 0.5030 4 NTM 14.8857 3.6640 21.2963 N.4 1 DMP1 -1.0120 5 CA 16.2929 3.4462 20.8019 C.3 1 DMP1 0.5030 BACKBONE|DICT|DIRECT 6 CB 17.0377 2.1382 21.2042 C.3 1 DMP1 0.2800 7 OA 18.3781 2.1295 20.7018 O.3 1 DMP1 -0.5512 8 P 19.0437 0.6907 20.8523 P.3 1 DMP1 1.4424 9 OB 18.2285 -0.1638 19.9530 O.co2 1 DMP1 -0.9500 10 OC 20.4981 0.6602 20.5584 O.co2 1 DMP1 -0.9500 11 OD 18.7308 0.1754 22.3249 O.3 1 DMP1 -0.5512 12 CC 18.4671 -1.2271 22.4464 C.3 1 DMP1 0.2800 13 CD 18.1274 -1.5734 23.9270 C.3 1 DMP1 0.2800 14 OE 17.5608 -2.9027 24.0713 O.3 1 DMP1 -0.4300 15 C2A 18.4254 -3.8958 23.8474 C.2 1 DMP1 0.6590 16 OF 19.5928 -3.6965 23.5601 O.2 1 DMP1 -0.5700 17 C2B 17.8606 -5.2855 23.9956 C.3 1 DMP1 0.0610 18 C2C 17.3894 -5.5101 25.4579 C.3 1 DMP1 0.0000 19 C2D 16.9854 -6.9894 25.7173 C.3 1 DMP1 0.0000 20 C2E 16.6175 -7.2585 27.2076 C.3 1 DMP1 0.0000 21 C2F 15.1848 -6.7896 27.5917 C.3 1 DMP1 0.0000 22 C2G 14.9575 -6.8907 29.1278 C.3 1 DMP1 0.0000 23 C2H 13.4490 -6.8112 29.4956 C.3 1 DMP1 0.0000 24 C2I 13.2430 -6.6819 31.0304 C.3 1 DMP1 0.0000 25 C2J 11.7542 -6.8306 31.4636 C.3 1 DMP1 0.0000 26 C2K 11.1532 -8.2654 31.3483 C.3 1 DMP1 0.0000 27 C2L 11.9688 -9.3360 32.1279 C.3 1 DMP1 0.0000 28 C2M 11.1796 -10.6601 32.3213 C.3 1 DMP1 0.0000 29 C2N 12.0495 -11.7175 33.0526 C.3 1 DMP1 0.0000 30 CE 17.0880 -0.5460 24.4859 C.3 1 DMP1 0.2800 31 OG 17.6656 0.2553 25.5434 O.3 1 DMP1 -0.4300 32 C1A 16.8347 1.1887 26.0210 C.2 1 DMP1 0.6590 33 OH 15.8051 1.5075 25.4440 O.2 1 DMP1 -0.5700 34 C1B 17.2500 1.8081 27.3326 C.3 1 DMP1 0.0610 35 C1C 17.4067 0.6911 28.4004 C.3 1 DMP1 0.0000 36 C1D 17.6432 1.2190 29.8448 C.3 1 DMP1 0.0000 37 C1E 19.0033 1.9498 30.0408 C.3 1 DMP1 0.0000 38 C1F 19.2345 2.2550 31.5491 C.3 1 DMP1 0.0000 39 C1G 20.6232 2.8766 31.8729 C.3 1 DMP1 0.0000 40 C1H 20.8520 4.2625 31.2057 C.3 1 DMP1 0.0000 41 C1I 22.0585 5.0439 31.8064 C.3 1 DMP1 0.0000 42 C1J 23.4177 4.3097 31.6283 C.3 1 DMP1 0.0000 43 C1K 24.6312 5.0835 32.2242 C.3 1 DMP1 0.0000 44 C1L 24.9956 6.3786 31.4456 C.3 1 DMP1 0.0000 45 C1M 26.3178 7.0033 31.9744 C.3 1 DMP1 0.0000 46 C1N 26.6279 8.3522 31.2734 C.3 1 DMP1 0.0000 47 H1 13.3626 5.1843 21.0445 H 1 DMP1 0.0000 48 H2 14.3184 4.8576 19.5879 H 1 DMP1 0.0000 49 H3 15.0249 5.7878 20.9275 H 1 DMP1 0.0000 50 H4 15.1632 2.8751 23.2940 H 1 DMP1 0.0000 51 H5 13.8340 4.0248 23.1433 H 1 DMP1 0.0000 52 H6 15.5133 4.6107 23.1308 H 1 DMP1 0.0000 53 H7 14.0672 2.3342 19.8136 H 1 DMP1 0.0000 54 H8 12.9311 2.7759 21.1060 H 1 DMP1 0.0000 55 H9 14.2169 1.6120 21.4323 H 1 DMP1 0.0000 56 H10 16.9361 4.2785 21.1345 H 1 DMP1 0.0000 57 H11 16.3055 3.4598 19.6988 H 1 DMP1 0.0000 58 H12 16.4514 1.2889 20.8231 H 1 DMP1 0.0000 59 H13 17.0911 2.0778 22.2986 H 1 DMP1 0.0000 60 H14 19.3311 -1.7980 22.0735 H 1 DMP1 0.0000 61 H15 17.5777 -1.5057 21.8586 H 1 DMP1 0.0000 62 H16 19.0387 -1.4718 24.5404 H 1 DMP1 0.0000 63 H17 18.6393 -6.0175 23.7301 H 1 DMP1 0.0000 64 H18 17.0142 -5.4114 23.3023 H 1 DMP1 0.0000 65 H19 16.5428 -4.8375 25.6674 H 1 DMP1 0.0000 66 H20 18.2176 -5.2406 26.1341 H 1 DMP1 0.0000 67 H21 17.8517 -7.6221 25.4584 H 1 DMP1 0.0000 68 H22 16.1477 -7.2767 25.0612 H 1 DMP1 0.0000 69 H23 17.3618 -6.7737 27.8611 H 1 DMP1 0.0000 70 H24 16.6690 -8.3460 27.3931 H 1 DMP1 0.0000 71 H25 14.4559 -7.4262 27.0636 H 1 DMP1 0.0000 72 H26 15.0116 -5.7470 27.2818 H 1 DMP1 0.0000 73 H27 15.5103 -6.0761 29.6252 H 1 DMP1 0.0000 74 H28 15.3519 -7.8488 29.5061 H 1 DMP1 0.0000 75 H29 12.9601 -7.7239 29.1224 H 1 DMP1 0.0000 76 H30 12.9869 -5.9426 28.9969 H 1 DMP1 0.0000 77 H31 13.5906 -5.6773 31.3270 H 1 DMP1 0.0000 78 H32 13.8695 -7.4092 31.5681 H 1 DMP1 0.0000 79 H33 11.1389 -6.1342 30.8686 H 1 DMP1 0.0000 80 H34 11.6782 -6.5211 32.5200 H 1 DMP1 0.0000 81 H35 11.0573 -8.5733 30.2942 H 1 DMP1 0.0000 82 H36 10.1343 -8.2257 31.7706 H 1 DMP1 0.0000 83 H37 12.2349 -8.9388 33.1213 H 1 DMP1 0.0000 84 H38 12.8959 -9.5639 31.5778 H 1 DMP1 0.0000 85 H39 10.8665 -11.0600 31.3427 H 1 DMP1 0.0000 86 H40 10.2752 -10.4664 32.9220 H 1 DMP1 0.0000 87 H41 11.4648 -12.6328 33.2382 H 1 DMP1 0.0000 88 H42 12.4005 -11.3238 34.0198 H 1 DMP1 0.0000 89 H43 12.9275 -11.9811 32.4418 H 1 DMP1 0.0000 90 H44 16.2511 -1.1061 24.9383 H 1 DMP1 0.0000 91 H45 16.6655 0.0666 23.6734 H 1 DMP1 0.0000 92 H46 16.4773 2.5249 27.6550 H 1 DMP1 0.0000 93 H47 18.1970 2.3500 27.1890 H 1 DMP1 0.0000 94 H48 18.2337 0.0206 28.1168 H 1 DMP1 0.0000 95 H49 16.4792 0.0937 28.4060 H 1 DMP1 0.0000 96 H50 17.6146 0.3464 30.5192 H 1 DMP1 0.0000 97 H51 16.8170 1.8901 30.1330 H 1 DMP1 0.0000 98 H52 18.9991 2.8867 29.4627 H 1 DMP1 0.0000 99 H53 19.8209 1.3128 29.6671 H 1 DMP1 0.0000 100 H54 19.1606 1.3099 32.1145 H 1 DMP1 0.0000 101 H55 18.4394 2.9271 31.9101 H 1 DMP1 0.0000 102 H56 21.4030 2.1642 31.5594 H 1 DMP1 0.0000 103 H57 20.6886 2.9986 32.9676 H 1 DMP1 0.0000 104 H58 19.9470 4.8765 31.3504 H 1 DMP1 0.0000 105 H59 21.0076 4.1323 30.1227 H 1 DMP1 0.0000 106 H60 21.8801 5.2237 32.8796 H 1 DMP1 0.0000 107 H61 22.1031 6.0218 31.3024 H 1 DMP1 0.0000 108 H62 23.5953 4.1083 30.5593 H 1 DMP1 0.0000 109 H63 23.3691 3.3434 32.1549 H 1 DMP1 0.0000 110 H64 25.5082 4.4150 32.2003 H 1 DMP1 0.0000 111 H65 24.4273 5.3334 33.2785 H 1 DMP1 0.0000 112 H66 24.1885 7.1188 31.5534 H 1 DMP1 0.0000 113 H67 25.1123 6.1447 30.3747 H 1 DMP1 0.0000 114 H68 27.1541 6.3074 31.7936 H 1 DMP1 0.0000 115 H69 26.2408 7.1731 33.0614 H 1 DMP1 0.0000 116 H70 27.5702 8.7734 31.6583 H 1 DMP1 0.0000 117 H71 25.8186 9.0746 31.4611 H 1 DMP1 0.0000 118 H72 26.7255 8.2061 30.1863 H 1 DMP1 0.0000 @BOND 1 4 1 1 2 4 2 1 3 4 3 1 4 5 4 1 5 5 6 1 6 6 7 1 7 7 8 1 8 8 9 ar 9 8 10 ar 10 8 11 1 11 11 12 1 12 12 13 1 13 13 14 1 14 13 30 1 15 14 15 1 16 15 16 2 17 15 17 1 18 17 18 1 19 18 19 1 20 19 20 1 21 20 21 1 22 21 22 1 23 22 23 1 24 23 24 1 25 24 25 1 26 25 26 1 27 26 27 1 28 27 28 1 29 28 29 1 30 30 31 1 31 31 32 1 32 32 33 2 33 32 34 1 34 34 35 1 35 35 36 1 36 36 37 1 37 37 38 1 38 38 39 1 39 39 40 1 40 40 41 1 41 41 42 1 42 42 43 1 43 43 44 1 44 44 45 1 45 45 46 1 46 1 47 1 47 1 48 1 48 1 49 1 49 2 50 1 50 2 51 1 51 2 52 1 52 3 53 1 53 3 54 1 54 3 55 1 55 5 56 1 56 5 57 1 57 6 58 1 58 6 59 1 59 12 60 1 60 12 61 1 61 13 62 1 62 17 63 1 63 17 64 1 64 18 65 1 65 18 66 1 66 19 67 1 67 19 68 1 68 20 69 1 69 20 70 1 70 21 71 1 71 21 72 1 72 22 73 1 73 22 74 1 74 23 75 1 75 23 76 1 76 24 77 1 77 24 78 1 78 25 79 1 79 25 80 1 80 26 81 1 81 26 82 1 82 27 83 1 83 27 84 1 84 28 85 1 85 28 86 1 86 29 87 1 87 29 88 1 88 29 89 1 89 30 90 1 90 30 91 1 91 34 92 1 92 34 93 1 93 35 94 1 94 35 95 1 95 36 96 1 96 36 97 1 97 37 98 1 98 37 99 1 99 38 100 1 100 38 101 1 101 39 102 1 102 39 103 1 103 40 104 1 104 40 105 1 105 41 106 1 106 41 107 1 107 42 108 1 108 42 109 1 109 43 110 1 110 43 111 1 111 44 112 1 112 44 113 1 113 45 114 1 114 45 115 1 115 46 116 1 116 46 117 1 117 46 118 1 @SUBSTRUCTURE 1 DMP1 5 RESIDUE 4 A **** 0 ROOT @SET UNK_ATOMS STATIC ATOMS AMSOM **** Atom types guessed for these atoms 45 1 2 3 4 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 \ 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 \ 39 40 41 42 43 44 45 46 @NORMAL @FF_PBC FORCE_FIELD_SETUP_FEATURE Force Field Setup information v1.0 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 NONE 0 0 0 0 1 0 0 0 0 0 0 0 0