@MOLECULE cholest-14-ene-3,16-diol 75 78 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.9339 2.4677 -0.1966 O.3 1 UNL1111111111 -0.5594 2 O 5.7845 1.5846 -2.6432 O.3 1 UNL1111111111 -0.5745 3 C 2.6685 -0.5704 0.0858 C.3 1 UNL1111111111 -0.1202 4 C 4.1499 -0.8992 0.3989 C.3 1 UNL1111111111 0.0667 5 C 1.9803 0.1140 1.2948 C.3 1 UNL1111111111 -0.1290 6 C -0.3085 -0.7205 0.3906 C.3 1 UNL1111111111 0.0582 7 C 4.9045 0.3920 0.8261 C.3 1 UNL1111111111 -0.1093 8 C 0.5585 0.4001 0.9585 C.2 1 UNL1111111111 0.0067 9 C 1.8653 -1.8180 -0.3214 C.3 1 UNL1111111111 -0.2840 10 C 0.4420 -1.4345 -0.7429 C.3 1 UNL1111111111 -0.2887 11 C -1.5680 0.0413 -0.1585 C.3 1 UNL1111111111 -0.2061 12 C 2.7340 1.3923 1.6931 C.3 1 UNL1111111111 -0.2739 13 C 4.1997 1.0840 2.0053 C.3 1 UNL1111111111 -0.2824 14 C 4.8648 -1.5028 -0.8372 C.3 1 UNL1111111111 -0.2958 15 C 5.0659 1.3855 -0.3370 C.3 1 UNL1111111111 -0.3523 16 C -1.5501 1.3909 0.6255 C.3 1 UNL1111111111 0.1560 17 C 4.2659 -1.9415 1.5284 C.3 1 UNL1111111111 -0.4689 18 C -0.1291 1.5387 1.1019 C.2 1 UNL1111111111 -0.3023 19 C 5.0000 -0.5159 -1.9948 C.3 1 UNL1111111111 -0.2999 20 C 5.7752 0.7166 -1.5189 C.3 1 UNL1111111111 0.1672 21 C -2.9116 -0.6966 -0.0483 C.3 1 UNL1111111111 -0.0816 22 C -0.6422 -1.6801 1.5370 C.3 1 UNL1111111111 -0.4551 23 C -4.0649 0.2128 -0.5239 C.3 1 UNL1111111111 -0.2949 24 C -2.8992 -1.9712 -0.9059 C.3 1 UNL1111111111 -0.4532 25 C -5.4186 -0.2827 -0.0003 C.3 1 UNL1111111111 -0.2687 26 C -6.5514 0.6133 -0.5172 C.3 1 UNL1111111111 -0.2885 27 C -7.9225 0.1702 0.0269 C.3 1 UNL1111111111 -0.0602 28 C -8.3849 -1.1324 -0.6377 C.3 1 UNL1111111111 -0.4544 29 C -8.9582 1.2755 -0.2218 C.3 1 UNL1111111111 -0.4575 30 H 2.6523 0.1497 -0.7696 H 1 UNL1111111111 0.1491 31 H 1.9966 -0.5936 2.1645 H 1 UNL1111111111 0.1514 32 H 5.9272 0.0891 1.1617 H 1 UNL1111111111 0.1301 33 H 2.3666 -2.3367 -1.1602 H 1 UNL1111111111 0.1394 34 H 1.8328 -2.5444 0.5102 H 1 UNL1111111111 0.1396 35 H 0.4883 -0.7800 -1.6352 H 1 UNL1111111111 0.1429 36 H -0.1142 -2.3357 -1.0593 H 1 UNL1111111111 0.1418 37 H -1.3966 0.2743 -1.2352 H 1 UNL1111111111 0.1488 38 H 2.6630 2.1415 0.8818 H 1 UNL1111111111 0.1445 39 H 2.2506 1.8536 2.5754 H 1 UNL1111111111 0.1392 40 H 4.2662 0.4443 2.9057 H 1 UNL1111111111 0.1374 41 H 4.7329 2.0178 2.2655 H 1 UNL1111111111 0.1353 42 H 4.3286 -2.4077 -1.1783 H 1 UNL1111111111 0.1410 43 H 5.8702 -1.8562 -0.5353 H 1 UNL1111111111 0.1385 44 H 5.6283 2.2730 0.0016 H 1 UNL1111111111 0.1363 45 H 4.0783 1.7627 -0.6677 H 1 UNL1111111111 0.1624 46 H -2.2943 1.4342 1.4470 H 1 UNL1111111111 0.1476 47 H 3.7208 -1.6311 2.4256 H 1 UNL1111111111 0.1475 48 H 3.8623 -2.9109 1.2202 H 1 UNL1111111111 0.1452 49 H 5.3092 -2.0996 1.8204 H 1 UNL1111111111 0.1433 50 H 0.2031 2.4828 1.4856 H 1 UNL1111111111 0.1635 51 H 4.0097 -0.2103 -2.3840 H 1 UNL1111111111 0.1582 52 H 5.5190 -0.9804 -2.8540 H 1 UNL1111111111 0.1495 53 H 6.8325 0.4712 -1.2798 H 1 UNL1111111111 0.1099 54 H -3.0919 -0.9727 1.0171 H 1 UNL1111111111 0.1345 55 H -1.2509 -2.5256 1.1999 H 1 UNL1111111111 0.1505 56 H 0.2678 -2.0965 1.9843 H 1 UNL1111111111 0.1461 57 H -1.1928 -1.1674 2.3345 H 1 UNL1111111111 0.1500 58 H -4.0746 0.2648 -1.6274 H 1 UNL1111111111 0.1395 59 H -3.9048 1.2579 -0.1904 H 1 UNL1111111111 0.1629 60 H -2.6712 -1.7455 -1.9530 H 1 UNL1111111111 0.1435 61 H -3.8747 -2.4700 -0.8838 H 1 UNL1111111111 0.1441 62 H -2.1573 -2.6940 -0.5533 H 1 UNL1111111111 0.1398 63 H -1.2855 2.6136 -0.9124 H 1 UNL1111111111 0.3162 64 H 6.1247 2.4643 -2.4050 H 1 UNL1111111111 0.3124 65 H -5.4169 -0.2900 1.1054 H 1 UNL1111111111 0.1329 66 H -5.5905 -1.3291 -0.3118 H 1 UNL1111111111 0.1335 67 H -6.3553 1.6623 -0.2229 H 1 UNL1111111111 0.1411 68 H -6.5647 0.6104 -1.6221 H 1 UNL1111111111 0.1379 69 H -7.8371 0.0023 1.1272 H 1 UNL1111111111 0.1274 70 H -8.4764 -1.0168 -1.7228 H 1 UNL1111111111 0.1440 71 H -9.3613 -1.4476 -0.2556 H 1 UNL1111111111 0.1396 72 H -7.6790 -1.9484 -0.4517 H 1 UNL1111111111 0.1408 73 H -9.9462 0.9843 0.1491 H 1 UNL1111111111 0.1407 74 H -9.0592 1.4955 -1.2898 H 1 UNL1111111111 0.1444 75 H -8.6780 2.2057 0.2836 H 1 UNL1111111111 0.1421 @BOND 1 1 16 1 2 1 63 1 3 2 20 1 4 2 64 1 5 3 4 1 6 3 5 1 7 3 9 1 8 3 30 1 9 4 7 1 10 4 14 1 11 4 17 1 12 5 8 1 13 5 12 1 14 5 31 1 15 6 8 1 16 6 10 1 17 6 11 1 18 6 22 1 19 7 13 1 20 7 15 1 21 7 32 1 22 8 18 2 23 9 10 1 24 9 33 1 25 9 34 1 26 10 35 1 27 10 36 1 28 11 16 1 29 11 21 1 30 11 37 1 31 12 13 1 32 12 38 1 33 12 39 1 34 13 40 1 35 13 41 1 36 14 19 1 37 14 42 1 38 14 43 1 39 15 20 1 40 15 44 1 41 15 45 1 42 16 18 1 43 16 46 1 44 17 47 1 45 17 48 1 46 17 49 1 47 18 50 1 48 19 20 1 49 19 51 1 50 19 52 1 51 20 53 1 52 21 23 1 53 21 24 1 54 21 54 1 55 22 55 1 56 22 56 1 57 22 57 1 58 23 25 1 59 23 58 1 60 23 59 1 61 24 60 1 62 24 61 1 63 24 62 1 64 25 26 1 65 25 65 1 66 25 66 1 67 26 27 1 68 26 67 1 69 26 68 1 70 27 28 1 71 27 29 1 72 27 69 1 73 28 70 1 74 28 71 1 75 28 72 1 76 29 73 1 77 29 74 1 78 29 75 1