@MOLECULE (3alpha,5alpha)-androst-16-en-3-ol 50 53 0 0 0 SMALL USER_CHARGES @ATOM 1 O -4.5243 -0.2698 -1.4696 O.3 1 UNL1111111 -0.5648 2 C 0.0792 0.4396 -0.3244 C.3 1 UNL1111111 -0.1393 3 C -1.3421 0.4128 0.3148 C.3 1 UNL1111111 0.0650 4 C 0.9588 -0.7045 0.2583 C.3 1 UNL1111111 -0.1205 5 C 2.3064 -0.6041 -0.4433 C.3 1 UNL1111111 -0.1385 6 C -1.9542 -0.9830 0.0102 C.3 1 UNL1111111 -0.1101 7 C 3.0183 0.7393 -0.0632 C.3 1 UNL1111111 0.0674 8 C 0.7586 1.8193 -0.1793 C.3 1 UNL1111111 -0.2773 9 C 0.3087 -2.0717 0.0050 C.3 1 UNL1111111 -0.2833 10 C -1.0998 -2.1133 0.6040 C.3 1 UNL1111111 -0.2809 11 C 2.2081 1.8621 -0.7074 C.3 1 UNL1111111 -0.2899 12 C -2.2331 1.4724 -0.3789 C.3 1 UNL1111111 -0.2909 13 C -3.4012 -1.0953 0.5076 C.3 1 UNL1111111 -0.3494 14 C 3.4164 -1.6588 -0.2247 C.3 1 UNL1111111 -0.2894 15 C -1.2803 0.7037 1.8189 C.3 1 UNL1111111 -0.4560 16 C -3.6946 1.3985 0.0719 C.3 1 UNL1111111 -0.3296 17 C -4.2906 -0.0041 -0.1027 C.3 1 UNL1111111 0.1686 18 C 4.4198 0.4582 -0.5756 C.2 1 UNL1111111 -0.1925 19 C 3.1655 0.9790 1.4495 C.3 1 UNL1111111 -0.4548 20 C 4.6490 -0.8641 -0.6058 C.2 1 UNL1111111 -0.1563 21 H -0.0413 0.2425 -1.4183 H 1 UNL1111111 0.1337 22 H 1.0809 -0.5643 1.3553 H 1 UNL1111111 0.1428 23 H 2.1115 -0.5858 -1.5480 H 1 UNL1111111 0.1413 24 H -1.9616 -1.1114 -1.1021 H 1 UNL1111111 0.1301 25 H 0.7505 2.1285 0.8823 H 1 UNL1111111 0.1411 26 H 0.1643 2.5790 -0.7209 H 1 UNL1111111 0.1341 27 H 0.9346 -2.8703 0.4442 H 1 UNL1111111 0.1373 28 H 0.2685 -2.2814 -1.0801 H 1 UNL1111111 0.1391 29 H -1.5700 -3.0926 0.3976 H 1 UNL1111111 0.1354 30 H -1.0538 -2.0268 1.7045 H 1 UNL1111111 0.1400 31 H 2.2182 1.7622 -1.8077 H 1 UNL1111111 0.1406 32 H 2.6573 2.8470 -0.4888 H 1 UNL1111111 0.1380 33 H -2.1722 1.3509 -1.4763 H 1 UNL1111111 0.1337 34 H -1.8424 2.4861 -0.1686 H 1 UNL1111111 0.1401 35 H -3.8133 -2.0876 0.2382 H 1 UNL1111111 0.1521 36 H -3.4407 -1.0397 1.6097 H 1 UNL1111111 0.1469 37 H 3.2733 -2.5529 -0.8475 H 1 UNL1111111 0.1410 38 H 3.4651 -2.0010 0.8219 H 1 UNL1111111 0.1483 39 H -0.5864 0.0307 2.3340 H 1 UNL1111111 0.1471 40 H -0.9504 1.7294 2.0147 H 1 UNL1111111 0.1423 41 H -2.2600 0.5825 2.2929 H 1 UNL1111111 0.1456 42 H -3.7836 1.7083 1.1294 H 1 UNL1111111 0.1452 43 H -4.3000 2.1223 -0.5093 H 1 UNL1111111 0.1504 44 H -5.3253 -0.0542 0.3111 H 1 UNL1111111 0.1318 45 H 5.0901 1.2576 -0.8134 H 1 UNL1111111 0.1462 46 H 3.6450 0.1256 1.9414 H 1 UNL1111111 0.1478 47 H 3.7820 1.8635 1.6414 H 1 UNL1111111 0.1443 48 H 2.1991 1.1374 1.9383 H 1 UNL1111111 0.1482 49 H 5.5570 -1.3701 -0.8698 H 1 UNL1111111 0.1432 50 H -3.6922 -0.2493 -1.9791 H 1 UNL1111111 0.3146 @BOND 1 50 1 1 2 31 11 1 3 23 5 1 4 33 12 1 5 1 17 1 6 21 2 1 7 24 6 1 8 28 9 1 9 49 20 1 10 37 14 1 11 45 18 1 12 26 8 1 13 11 32 1 14 11 8 1 15 11 7 1 16 20 18 2 17 20 14 1 18 18 7 1 19 43 16 1 20 5 14 1 21 5 7 1 22 5 4 1 23 12 34 1 24 12 16 1 25 12 3 1 26 2 8 1 27 2 4 1 28 2 3 1 29 14 38 1 30 8 25 1 31 17 16 1 32 17 44 1 33 17 13 1 34 7 19 1 35 9 4 1 36 9 27 1 37 9 10 1 38 6 3 1 39 6 13 1 40 6 10 1 41 16 42 1 42 35 13 1 43 4 22 1 44 3 15 1 45 29 10 1 46 13 36 1 47 10 30 1 48 19 47 1 49 19 48 1 50 19 46 1 51 15 40 1 52 15 41 1 53 15 39 1