@MOLECULE TEL 68 73 1 0 0 SMALL No Charge or Current Charge @ATOM 1 C14 3.5370 1.4230 -0.0000 ca 1 TEL 0.1737 2 C15 2.4200 1.2480 -0.8220 ca 1 TEL -0.3335 3 H12 2.5040 0.7790 -1.7810 ha 1 TEL 0.2172 4 H11 4.4900 1.0730 -0.3330 ha 1 TEL 0.1714 5 C13 3.4360 2.0540 1.2670 ca 1 TEL -0.2114 6 H10 4.3100 2.1790 1.8710 ha 1 TEL 0.2025 7 C12 2.1840 2.5180 1.7380 ca 1 TEL -0.2400 8 H9 2.0870 2.9980 2.6890 ha 1 TEL 0.2445 9 C11 1.0720 2.3200 0.8990 ca 1 TEL 0.6510 10 N3 -0.2150 2.6670 1.1010 nc 1 TEL -0.5785 11 C10 1.1850 1.7090 -0.3420 ca 1 TEL 0.1449 12 N2 -0.0460 1.6770 -0.9080 na 1 TEL -0.0755 13 C16 -0.3860 1.1190 -2.2270 c3 1 TEL -0.3304 14 H13 -1.2380 1.6320 -2.6220 h1 1 TEL 0.1752 15 H14 0.4450 1.2440 -2.8910 h1 1 TEL 0.1752 16 H15 -0.6100 0.0790 -2.1270 h1 1 TEL 0.1752 17 C9 -0.8930 2.2680 -0.0070 cd 1 TEL 0.4667 18 C8 -2.3470 2.4470 -0.2230 ca 1 TEL 0.1609 19 C17 -2.9780 3.6280 0.2530 ca 1 TEL -0.1167 20 C18 -4.3560 3.7320 0.0460 ca 1 TEL -0.0832 21 H16 -2.4250 4.4000 0.7450 ha 1 TEL 0.2951 22 C7 -3.1000 1.4370 -0.8770 ca 1 TEL -0.4765 23 H8 -2.6060 0.5470 -1.2090 ha 1 TEL 0.2403 24 C6 -4.4870 1.5830 -1.0970 ca 1 TEL 0.2047 25 C33 -5.2650 0.5300 -1.7990 c3 1 TEL -0.4511 26 H27 -4.5930 -0.1770 -2.2380 hc 1 TEL 0.1595 27 H28 -5.9010 0.0300 -1.1000 hc 1 TEL 0.1595 28 H29 -5.8610 0.9790 -2.5660 hc 1 TEL 0.1595 29 C5 -5.0840 2.7600 -0.6030 ca 1 TEL 0.4666 30 N1 -6.3830 3.1530 -0.6750 nc 1 TEL -0.6342 31 C4 -6.4290 4.3690 -0.0530 cd 1 TEL 0.4370 32 C3 -7.6950 5.1770 0.1200 c3 1 TEL -0.0801 33 C2 -7.9580 6.0710 -1.0790 c3 1 TEL 0.2073 34 C1 -9.3160 6.7640 -1.0320 c3 1 TEL -0.2433 35 H1 -9.4760 7.2970 -1.9460 hc 1 TEL 0.0697 36 H2 -9.3370 7.4500 -0.2110 hc 1 TEL 0.0697 37 H3 -10.0850 6.0330 -0.9060 hc 1 TEL 0.0697 38 H4 -7.9530 5.4450 -1.9450 hc 1 TEL -0.0152 39 H5 -7.1950 6.8210 -1.1160 hc 1 TEL -0.0152 40 H6 -7.5780 5.8000 0.9830 hc 1 TEL 0.0602 41 H7 -8.5210 4.5070 0.2410 hc 1 TEL 0.0602 42 N4 -5.1960 4.7530 0.4070 na 1 TEL -0.0241 43 C19 -4.8660 5.9890 1.0980 c3 1 TEL -0.2319 44 H17 -5.6200 6.7130 0.8690 h1 1 TEL 0.1444 45 H18 -4.8270 5.8000 2.1500 h1 1 TEL 0.1444 46 C20 -3.5440 6.5300 0.6500 ca 1 TEL 0.0575 47 C25 -3.1760 6.4230 -0.6890 ca 1 TEL -0.2304 48 C24 -1.9270 6.9340 -1.1250 ca 1 TEL -0.1065 49 H21 -1.6420 6.8530 -2.1540 ha 1 TEL 0.1399 50 H22 -3.8370 5.9560 -1.3900 ha 1 TEL 0.1584 51 C21 -2.7060 7.1540 1.5760 ca 1 TEL -0.2304 52 H19 -3.0090 7.2600 2.5970 ha 1 TEL 0.1584 53 C22 -1.4480 7.6480 1.1460 ca 1 TEL -0.1065 54 H20 -0.7870 8.1000 1.8540 ha 1 TEL 0.1399 55 C23 -1.0630 7.5480 -0.1980 cp 1 TEL 0.0383 56 C26 0.2230 8.0740 -0.6390 cp 1 TEL 0.1790 57 C27 1.2420 7.1980 -1.0830 ca 1 TEL -0.2180 58 C32 1.0520 5.7260 -1.1500 c 1 TEL 0.9513 59 O1 0.2650 5.1480 -0.4380 o 1 TEL -0.8119 60 O2 1.8330 5.0960 -2.0430 o 1 TEL -0.8119 61 C28 2.4780 7.7480 -1.5100 ca 1 TEL -0.1258 62 H23 3.2540 7.1000 -1.8600 ha 1 TEL 0.1474 63 C29 2.6930 9.1280 -1.4790 ca 1 TEL -0.1401 64 H24 3.6290 9.5320 -1.8060 ha 1 TEL 0.1392 65 C30 1.6850 9.9840 -1.0200 ca 1 TEL -0.1370 66 H25 1.8570 11.0390 -0.9800 ha 1 TEL 0.1497 67 C31 0.4390 9.4550 -0.6080 ca 1 TEL -0.2506 68 H26 -0.3380 10.1110 -0.2730 ha 1 TEL 0.1452 @BOND 1 1 2 ar 2 1 4 1 3 1 5 ar 4 2 3 1 5 2 11 ar 6 5 6 1 7 5 7 ar 8 7 8 1 9 7 9 ar 10 9 10 1 11 9 11 ar 12 10 17 2 13 11 12 1 14 12 13 1 15 12 17 1 16 13 14 1 17 13 15 1 18 13 16 1 19 17 18 1 20 18 19 ar 21 18 22 ar 22 19 20 ar 23 19 21 1 24 20 29 ar 25 20 42 1 26 22 23 1 27 22 24 ar 28 24 25 1 29 24 29 ar 30 25 26 1 31 25 27 1 32 25 28 1 33 29 30 1 34 30 31 2 35 31 32 1 36 31 42 1 37 32 33 1 38 32 40 1 39 32 41 1 40 33 34 1 41 33 38 1 42 33 39 1 43 34 35 1 44 34 36 1 45 34 37 1 46 42 43 1 47 43 44 1 48 43 45 1 49 43 46 1 50 46 47 ar 51 46 51 ar 52 47 48 ar 53 47 50 1 54 48 49 1 55 48 55 ar 56 51 52 1 57 51 53 ar 58 53 54 1 59 53 55 ar 60 55 56 1 61 56 57 ar 62 56 67 ar 63 57 58 1 64 57 61 ar 65 58 59 1 66 58 60 1 67 61 62 1 68 61 63 ar 69 63 64 1 70 63 65 ar 71 65 66 1 72 65 67 ar 73 67 68 1 @SUBSTRUCTURE 1 TEL 1 TEMP 0 **** **** 0 ROOT