@MOLECULE 5b-cholestan-3a-ol 76 79 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.9166 -3.5646 -0.2765 O.3 1 UNL1111111111 -0.5765 2 C 0.5754 1.2130 -0.2878 C.3 1 UNL1111111111 0.0738 3 C -0.1647 0.6010 0.9415 C.3 1 UNL1111111111 -0.1435 4 C -1.6582 0.9223 0.9105 C.3 1 UNL1111111111 -0.1218 5 C -2.2550 0.2578 -0.3582 C.3 1 UNL1111111111 -0.1296 6 C -3.7789 0.5278 -0.4536 C.3 1 UNL1111111111 0.0691 7 C 2.0512 0.8693 0.0795 C.3 1 UNL1111111111 -0.1394 8 C 0.0186 0.5012 -1.5282 C.3 1 UNL1111111111 -0.2963 9 C -4.4873 0.0152 0.8339 C.3 1 UNL1111111111 -0.1090 10 C -1.5032 0.7080 -1.6268 C.3 1 UNL1111111111 -0.2799 11 C 0.6560 1.0899 2.1423 C.3 1 UNL1111111111 -0.2809 12 C -2.3525 0.3840 2.1698 C.3 1 UNL1111111111 -0.2811 13 C 2.1091 1.1232 1.6151 C.3 1 UNL1111111111 -0.2770 14 C -3.8620 0.6292 2.0989 C.3 1 UNL1111111111 -0.2811 15 C -4.4066 -0.1858 -1.6785 C.3 1 UNL1111111111 -0.2968 16 C 0.3886 2.7291 -0.4146 C.3 1 UNL1111111111 -0.4585 17 C 3.1510 1.6453 -0.6642 C.3 1 UNL1111111111 -0.0930 18 C -4.4653 -1.5194 0.9390 C.3 1 UNL1111111111 -0.3523 19 C -4.0761 2.0312 -0.6198 C.3 1 UNL1111111111 -0.4686 20 C -4.3522 -1.7088 -1.5765 C.3 1 UNL1111111111 -0.2996 21 C -5.0873 -2.1545 -0.3089 C.3 1 UNL1111111111 0.1672 22 C 4.5533 1.3019 -0.1116 C.3 1 UNL1111111111 -0.2895 23 C 3.1090 1.3739 -2.1735 C.3 1 UNL1111111111 -0.4512 24 C 4.9007 -0.1881 -0.2136 C.3 1 UNL1111111111 -0.2612 25 C 6.3147 -0.4498 0.3191 C.3 1 UNL1111111111 -0.2892 26 C 6.7025 -1.9418 0.3196 C.3 1 UNL1111111111 -0.0603 27 C 6.6638 -2.5326 -1.0946 C.3 1 UNL1111111111 -0.4535 28 C 5.8033 -2.7538 1.2596 C.3 1 UNL1111111111 -0.4522 29 H -0.0560 -0.5131 0.8883 H 1 UNL1111111111 0.1383 30 H -1.8074 2.0241 0.8622 H 1 UNL1111111111 0.1394 31 H -2.1135 -0.8475 -0.2577 H 1 UNL1111111111 0.1430 32 H 2.2030 -0.2178 -0.1127 H 1 UNL1111111111 0.1353 33 H 0.2520 -0.5785 -1.4864 H 1 UNL1111111111 0.1387 34 H 0.5009 0.8787 -2.4468 H 1 UNL1111111111 0.1378 35 H -5.5558 0.3395 0.7833 H 1 UNL1111111111 0.1283 36 H -1.8834 0.1443 -2.4996 H 1 UNL1111111111 0.1349 37 H -1.7159 1.7723 -1.8348 H 1 UNL1111111111 0.1384 38 H 0.5513 0.4233 3.0105 H 1 UNL1111111111 0.1316 39 H 0.3283 2.0880 2.4723 H 1 UNL1111111111 0.1346 40 H -1.9328 0.8746 3.0677 H 1 UNL1111111111 0.1349 41 H -2.1428 -0.6945 2.2906 H 1 UNL1111111111 0.1384 42 H 2.7299 0.3601 2.1070 H 1 UNL1111111111 0.1326 43 H 2.5745 2.0957 1.8364 H 1 UNL1111111111 0.1331 44 H -4.0654 1.7167 2.1224 H 1 UNL1111111111 0.1370 45 H -4.3537 0.2153 2.9988 H 1 UNL1111111111 0.1322 46 H -5.4601 0.1389 -1.7850 H 1 UNL1111111111 0.1374 47 H -3.9044 0.1461 -2.6057 H 1 UNL1111111111 0.1413 48 H 0.8809 3.1135 -1.3139 H 1 UNL1111111111 0.1424 49 H -0.6687 3.0069 -0.4812 H 1 UNL1111111111 0.1453 50 H 0.8070 3.2563 0.4495 H 1 UNL1111111111 0.1459 51 H 2.9914 2.7398 -0.5001 H 1 UNL1111111111 0.1325 52 H -3.4268 -1.8856 1.0579 H 1 UNL1111111111 0.1618 53 H -5.0044 -1.8418 1.8467 H 1 UNL1111111111 0.1345 54 H -3.7008 2.4092 -1.5763 H 1 UNL1111111111 0.1446 55 H -3.6075 2.6261 0.1710 H 1 UNL1111111111 0.1489 56 H -5.1513 2.2326 -0.5862 H 1 UNL1111111111 0.1413 57 H -4.8093 -2.1826 -2.4650 H 1 UNL1111111111 0.1481 58 H -3.3078 -2.0756 -1.5551 H 1 UNL1111111111 0.1582 59 H -6.1783 -1.9526 -0.3738 H 1 UNL1111111111 0.1093 60 H 4.6260 1.6283 0.9425 H 1 UNL1111111111 0.1340 61 H 5.3098 1.8959 -0.6587 H 1 UNL1111111111 0.1340 62 H 2.2416 1.8535 -2.6399 H 1 UNL1111111111 0.1421 63 H 4.0032 1.7635 -2.6716 H 1 UNL1111111111 0.1417 64 H 3.0524 0.3018 -2.3890 H 1 UNL1111111111 0.1448 65 H 4.8227 -0.5244 -1.2638 H 1 UNL1111111111 0.1390 66 H 4.1668 -0.7894 0.3555 H 1 UNL1111111111 0.1397 67 H -5.2253 -3.9366 0.5679 H 1 UNL1111111111 0.3118 68 H 7.0484 0.1154 -0.2861 H 1 UNL1111111111 0.1326 69 H 6.4030 -0.0534 1.3484 H 1 UNL1111111111 0.1341 70 H 7.7540 -2.0126 0.6974 H 1 UNL1111111111 0.1231 71 H 7.2541 -1.9308 -1.7934 H 1 UNL1111111111 0.1411 72 H 7.0674 -3.5504 -1.1084 H 1 UNL1111111111 0.1399 73 H 5.6409 -2.5814 -1.4832 H 1 UNL1111111111 0.1460 74 H 4.7684 -2.7844 0.9021 H 1 UNL1111111111 0.1467 75 H 6.1509 -3.7889 1.3413 H 1 UNL1111111111 0.1394 76 H 5.7921 -2.3257 2.2673 H 1 UNL1111111111 0.1413 @BOND 1 1 21 1 2 1 67 1 3 2 3 1 4 2 7 1 5 2 8 1 6 2 16 1 7 3 4 1 8 3 11 1 9 3 29 1 10 4 5 1 11 4 12 1 12 4 30 1 13 5 6 1 14 5 10 1 15 5 31 1 16 6 9 1 17 6 15 1 18 6 19 1 19 7 13 1 20 7 17 1 21 7 32 1 22 8 10 1 23 8 33 1 24 8 34 1 25 9 14 1 26 9 18 1 27 9 35 1 28 10 36 1 29 10 37 1 30 11 13 1 31 11 38 1 32 11 39 1 33 12 14 1 34 12 40 1 35 12 41 1 36 13 42 1 37 13 43 1 38 14 44 1 39 14 45 1 40 15 20 1 41 15 46 1 42 15 47 1 43 16 48 1 44 16 49 1 45 16 50 1 46 17 22 1 47 17 23 1 48 17 51 1 49 18 21 1 50 18 52 1 51 18 53 1 52 19 54 1 53 19 55 1 54 19 56 1 55 20 21 1 56 20 57 1 57 20 58 1 58 21 59 1 59 22 24 1 60 22 60 1 61 22 61 1 62 23 62 1 63 23 63 1 64 23 64 1 65 24 25 1 66 24 65 1 67 24 66 1 68 25 26 1 69 25 68 1 70 25 69 1 71 26 27 1 72 26 28 1 73 26 70 1 74 27 71 1 75 27 72 1 76 27 73 1 77 28 74 1 78 28 75 1 79 28 76 1