@MOLECULE (3beta)-20,22-epoxycholest-5-en-3-ol 73 77 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.6032 -0.1784 1.9500 O.3 1 UNL1111111111 -0.3743 2 O 7.9430 -0.2514 -0.8969 O.3 1 UNL1111111111 -0.5673 3 C -0.6160 -0.1891 0.4197 C.3 1 UNL1111111111 0.0861 4 C 0.1830 1.0599 -0.0596 C.3 1 UNL1111111111 -0.1443 5 C -2.0620 0.2400 0.0162 C.3 1 UNL1111111111 -0.1676 6 C 1.6545 0.9804 0.3438 C.3 1 UNL1111111111 -0.1148 7 C -3.1943 -0.5572 0.6307 C.3 1 UNL1111111111 0.1706 8 C 2.2749 -0.2661 -0.3313 C.3 1 UNL1111111111 -0.1334 9 C -0.0413 -1.3858 -0.3494 C.3 1 UNL1111111111 -0.2994 10 C -0.6377 2.2460 0.4605 C.3 1 UNL1111111111 -0.2782 11 C -2.1009 1.7514 0.3858 C.3 1 UNL1111111111 -0.2731 12 C 1.4578 -1.5397 -0.0398 C.3 1 UNL1111111111 -0.2767 13 C 3.7694 -0.4296 0.0899 C.3 1 UNL1111111111 0.0629 14 C -4.5150 0.1160 0.8836 C.3 1 UNL1111111111 -0.0129 15 C -0.5461 -0.4212 1.9303 C.3 1 UNL1111111111 -0.4577 16 C 2.3923 2.2422 -0.1360 C.3 1 UNL1111111111 -0.2859 17 C 4.4940 0.8917 -0.0348 C.2 1 UNL1111111111 -0.0170 18 C -3.1419 -2.0425 0.3911 C.3 1 UNL1111111111 -0.4679 19 C 4.4041 -1.4760 -0.8627 C.3 1 UNL1111111111 -0.2833 20 C 3.8713 2.0732 -0.1183 C.2 1 UNL1111111111 -0.1976 21 C -5.8260 -0.6275 0.9095 C.3 1 UNL1111111111 -0.2949 22 C 3.8978 -0.8944 1.5510 C.3 1 UNL1111111111 -0.4521 23 C 5.9923 0.8450 0.0057 C.3 1 UNL1111111111 -0.3493 24 C 5.9236 -1.5688 -0.7247 C.3 1 UNL1111111111 -0.3328 25 C 6.5361 -0.1897 -0.9896 C.3 1 UNL1111111111 0.1782 26 C -6.2991 -0.9593 -0.5110 C.3 1 UNL1111111111 -0.2810 27 C -6.7014 0.2926 -1.3146 C.3 1 UNL1111111111 -0.0542 28 C -8.0398 0.8557 -0.8234 C.3 1 UNL1111111111 -0.4544 29 C -6.7999 -0.0642 -2.8042 C.3 1 UNL1111111111 -0.4586 30 H 0.1418 1.0852 -1.1794 H 1 UNL1111111111 0.1351 31 H -2.1615 0.1398 -1.0921 H 1 UNL1111111111 0.1421 32 H 1.7516 0.8990 1.4490 H 1 UNL1111111111 0.1454 33 H 2.2551 -0.0903 -1.4353 H 1 UNL1111111111 0.1375 34 H -0.1929 -1.2545 -1.4357 H 1 UNL1111111111 0.1351 35 H -0.5666 -2.3189 -0.0807 H 1 UNL1111111111 0.1378 36 H -0.4806 3.1525 -0.1408 H 1 UNL1111111111 0.1314 37 H -0.3579 2.5038 1.4948 H 1 UNL1111111111 0.1414 38 H -2.5945 1.9024 1.3622 H 1 UNL1111111111 0.1543 39 H -2.6773 2.3188 -0.3581 H 1 UNL1111111111 0.1292 40 H 1.5748 -1.8303 1.0217 H 1 UNL1111111111 0.1455 41 H 1.8617 -2.3821 -0.6315 H 1 UNL1111111111 0.1312 42 H -4.6172 1.1859 0.6732 H 1 UNL1111111111 0.1462 43 H -1.0140 0.4045 2.4820 H 1 UNL1111111111 0.1593 44 H -1.0850 -1.3302 2.2197 H 1 UNL1111111111 0.1479 45 H 0.4832 -0.5157 2.2886 H 1 UNL1111111111 0.1449 46 H 2.0945 3.1042 0.4954 H 1 UNL1111111111 0.1460 47 H 2.0702 2.5043 -1.1669 H 1 UNL1111111111 0.1486 48 H -2.3041 -2.4992 0.9381 H 1 UNL1111111111 0.1644 49 H -4.0488 -2.5528 0.7412 H 1 UNL1111111111 0.1608 50 H -3.0209 -2.2710 -0.6745 H 1 UNL1111111111 0.1540 51 H 4.1463 -1.2195 -1.9090 H 1 UNL1111111111 0.1417 52 H 3.9549 -2.4685 -0.6731 H 1 UNL1111111111 0.1405 53 H 4.4294 3.0055 -0.1915 H 1 UNL1111111111 0.1445 54 H -5.7337 -1.5563 1.5087 H 1 UNL1111111111 0.1538 55 H -6.5891 -0.0244 1.4415 H 1 UNL1111111111 0.1500 56 H 4.9434 -0.9085 1.8758 H 1 UNL1111111111 0.1444 57 H 3.3560 -0.2223 2.2266 H 1 UNL1111111111 0.1508 58 H 3.5032 -1.9053 1.6921 H 1 UNL1111111111 0.1450 59 H 6.4402 1.8341 -0.2200 H 1 UNL1111111111 0.1577 60 H 6.3306 0.6046 1.0341 H 1 UNL1111111111 0.1523 61 H 6.2048 -1.9350 0.2786 H 1 UNL1111111111 0.1428 62 H 6.3345 -2.3062 -1.4398 H 1 UNL1111111111 0.1499 63 H 6.3876 0.1371 -2.0434 H 1 UNL1111111111 0.1434 64 H -5.4957 -1.5004 -1.0482 H 1 UNL1111111111 0.1421 65 H -7.1523 -1.6611 -0.4646 H 1 UNL1111111111 0.1373 66 H -5.9140 1.0740 -1.1893 H 1 UNL1111111111 0.1314 67 H 8.2336 -0.5427 -0.0141 H 1 UNL1111111111 0.3116 68 H -7.9948 1.1301 0.2360 H 1 UNL1111111111 0.1441 69 H -8.8494 0.1280 -0.9415 H 1 UNL1111111111 0.1427 70 H -8.3213 1.7538 -1.3832 H 1 UNL1111111111 0.1406 71 H -7.5327 -0.8586 -2.9788 H 1 UNL1111111111 0.1425 72 H -7.1085 0.8020 -3.3990 H 1 UNL1111111111 0.1421 73 H -5.8371 -0.4067 -3.1976 H 1 UNL1111111111 0.1417 @BOND 1 1 7 1 2 1 14 1 3 2 25 1 4 2 67 1 5 3 4 1 6 3 5 1 7 3 9 1 8 3 15 1 9 4 6 1 10 4 10 1 11 4 30 1 12 5 7 1 13 5 11 1 14 5 31 1 15 6 8 1 16 6 16 1 17 6 32 1 18 7 14 1 19 7 18 1 20 8 12 1 21 8 13 1 22 8 33 1 23 9 12 1 24 9 34 1 25 9 35 1 26 10 11 1 27 10 36 1 28 10 37 1 29 11 38 1 30 11 39 1 31 12 40 1 32 12 41 1 33 13 17 1 34 13 19 1 35 13 22 1 36 14 21 1 37 14 42 1 38 15 43 1 39 15 44 1 40 15 45 1 41 16 20 1 42 16 46 1 43 16 47 1 44 17 20 2 45 17 23 1 46 18 48 1 47 18 49 1 48 18 50 1 49 19 24 1 50 19 51 1 51 19 52 1 52 20 53 1 53 21 26 1 54 21 54 1 55 21 55 1 56 22 56 1 57 22 57 1 58 22 58 1 59 23 25 1 60 23 59 1 61 23 60 1 62 24 25 1 63 24 61 1 64 24 62 1 65 25 63 1 66 26 27 1 67 26 64 1 68 26 65 1 69 27 28 1 70 27 29 1 71 27 66 1 72 28 68 1 73 28 69 1 74 28 70 1 75 29 71 1 76 29 72 1 77 29 73 1