@MOLECULE 3beta-methoxycholest-5-ene 77 80 0 0 0 SMALL GASTEIGER @ATOM 1 O -6.5128 0.1617 1.3033 O.3 1 UNL1111111111 -0.3770 2 C 0.7757 -0.1608 -0.1696 C.3 1 UNL1111111111 0.0748 3 C -0.1054 1.0659 0.2137 C.3 1 UNL1111111111 -0.1403 4 C -1.4962 0.9934 -0.4149 C.3 1 UNL1111111111 -0.1147 5 C -2.1984 -0.2827 0.1075 C.3 1 UNL1111111111 -0.1326 6 C 2.1374 0.2594 0.4650 C.3 1 UNL1111111111 -0.1466 7 C 0.1008 -1.3852 0.4637 C.3 1 UNL1111111111 -0.2959 8 C -3.6005 -0.4433 -0.5589 C.3 1 UNL1111111111 0.0628 9 C 0.7748 2.2710 -0.1400 C.3 1 UNL1111111111 -0.2812 10 C -1.3297 -1.5422 -0.0814 C.3 1 UNL1111111111 -0.2763 11 C 2.2078 1.7917 0.1845 C.3 1 UNL1111111111 -0.2803 12 C -2.3193 2.2268 -0.0052 C.3 1 UNL1111111111 -0.2802 13 C 3.3944 -0.4672 -0.0492 C.3 1 UNL1111111111 -0.0907 14 C 0.9202 -0.3455 -1.6841 C.3 1 UNL1111111111 -0.4572 15 C -4.3539 0.8665 -0.5187 C.2 1 UNL1111111111 0.0042 16 C -4.3803 -1.5050 0.2550 C.3 1 UNL1111111111 -0.2768 17 C -3.7715 2.0486 -0.2846 C.2 1 UNL1111111111 -0.2109 18 C -3.4787 -0.8730 -2.0322 C.3 1 UNL1111111111 -0.4526 19 C -5.8247 0.8156 -0.8175 C.3 1 UNL1111111111 -0.3128 20 C -5.8353 -1.6395 -0.1954 C.3 1 UNL1111111111 -0.3211 21 C 4.6486 0.0762 0.6722 C.3 1 UNL1111111111 -0.2905 22 C -6.5537 -0.2944 -0.0428 C.3 1 UNL1111111111 0.1191 23 C 3.2998 -1.9806 0.1851 C.3 1 UNL1111111111 -0.4531 24 C 5.9262 -0.2382 -0.1173 C.3 1 UNL1111111111 -0.2688 25 C 7.1590 0.3006 0.6191 C.3 1 UNL1111111111 -0.2895 26 C 8.4572 0.0164 -0.1602 C.3 1 UNL1111111111 -0.0602 27 C -7.3953 -0.5157 2.1734 C.3 1 UNL1111111111 -0.2061 28 C 8.8240 -1.4712 -0.0966 C.3 1 UNL1111111111 -0.4536 29 C 9.6025 0.8579 0.4197 C.3 1 UNL1111111111 -0.4578 30 H -0.2379 1.0583 1.3267 H 1 UNL1111111111 0.1379 31 H -1.4224 0.9582 -1.5237 H 1 UNL1111111111 0.1407 32 H -2.3649 -0.1439 1.2048 H 1 UNL1111111111 0.1415 33 H 2.0715 0.0967 1.5644 H 1 UNL1111111111 0.1327 34 H 0.6755 -2.3048 0.2562 H 1 UNL1111111111 0.1363 35 H 0.0798 -1.2846 1.5638 H 1 UNL1111111111 0.1368 36 H 0.6745 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-5.9765 0.6646 -1.9054 H 1 UNL1111111111 0.1506 56 H -6.3443 -2.4181 0.4005 H 1 UNL1111111111 0.1364 57 H -5.8888 -1.9777 -1.2462 H 1 UNL1111111111 0.1426 58 H 4.5709 1.1692 0.8154 H 1 UNL1111111111 0.1381 59 H 4.7117 -0.3523 1.6887 H 1 UNL1111111111 0.1384 60 H -7.6135 -0.3689 -0.3705 H 1 UNL1111111111 0.1056 61 H 4.2506 -2.4775 -0.0368 H 1 UNL1111111111 0.1426 62 H 2.5396 -2.4387 -0.4566 H 1 UNL1111111111 0.1431 63 H 3.0442 -2.2096 1.2249 H 1 UNL1111111111 0.1431 64 H 6.0216 -1.3293 -0.2690 H 1 UNL1111111111 0.1370 65 H 5.8651 0.2042 -1.1288 H 1 UNL1111111111 0.1343 66 H 7.2223 -0.1419 1.6296 H 1 UNL1111111111 0.1378 67 H 7.0503 1.3907 0.7743 H 1 UNL1111111111 0.1366 68 H 8.3074 0.3054 -1.2282 H 1 UNL1111111111 0.1285 69 H -8.4328 -0.4222 1.8402 H 1 UNL1111111111 0.1160 70 H -7.1139 -1.5670 2.2829 H 1 UNL1111111111 0.1196 71 H -7.2530 0.0131 3.1249 H 1 UNL1111111111 0.1443 72 H 9.7705 0.6292 1.4774 H 1 UNL1111111111 0.1442 73 H 8.9718 -1.8028 0.9366 H 1 UNL1111111111 0.1439 74 H 9.7496 -1.6752 -0.6447 H 1 UNL1111111111 0.1405 75 H 8.0379 -2.0958 -0.5337 H 1 UNL1111111111 0.1420 76 H 10.5415 0.6684 -0.1109 H 1 UNL1111111111 0.1420 77 H 9.3907 1.9291 0.3411 H 1 UNL1111111111 0.1408 @BOND 1 1 22 1 2 1 27 1 3 2 3 1 4 2 6 1 5 2 7 1 6 2 14 1 7 3 4 1 8 3 9 1 9 3 30 1 10 4 5 1 11 4 12 1 12 4 31 1 13 5 8 1 14 5 10 1 15 5 32 1 16 6 11 1 17 6 13 1 18 6 33 1 19 7 10 1 20 7 34 1 21 7 35 1 22 8 15 1 23 8 16 1 24 8 18 1 25 9 11 1 26 9 36 1 27 9 37 1 28 10 38 1 29 10 39 1 30 11 40 1 31 11 41 1 32 12 17 1 33 12 42 1 34 12 43 1 35 13 21 1 36 13 23 1 37 13 44 1 38 14 45 1 39 14 46 1 40 14 47 1 41 15 17 2 42 15 19 1 43 16 20 1 44 16 48 1 45 16 49 1 46 17 50 1 47 18 51 1 48 18 52 1 49 18 53 1 50 19 22 1 51 19 54 1 52 19 55 1 53 20 22 1 54 20 56 1 55 20 57 1 56 21 24 1 57 21 58 1 58 21 59 1 59 22 60 1 60 23 61 1 61 23 62 1 62 23 63 1 63 24 25 1 64 24 64 1 65 24 65 1 66 25 26 1 67 25 66 1 68 25 67 1 69 26 28 1 70 26 29 1 71 26 68 1 72 27 69 1 73 27 70 1 74 27 71 1 75 28 73 1 76 28 74 1 77 28 75 1 78 29 72 1 79 29 76 1 80 29 77 1