@MOLECULE androstanolone 51 54 0 0 0 SMALL USER_CHARGES @ATOM 1 O -5.1435 -1.0884 0.1025 O.3 1 UNL11111111 -0.5564 2 O 5.6288 -0.3517 0.3711 O.2 1 UNL11111111 -0.4775 3 C -0.5910 0.8183 0.1482 C.3 1 UNL11111111 -0.1170 4 C 0.2140 -0.3891 -0.4023 C.3 1 UNL11111111 -0.1360 5 C -2.0047 0.7210 -0.4247 C.3 1 UNL11111111 -0.1473 6 C -2.7164 -0.5727 0.0582 C.3 1 UNL11111111 0.0168 7 C 1.6865 -0.3651 0.1061 C.3 1 UNL11111111 0.0638 8 C 2.3146 0.9936 -0.3119 C.3 1 UNL11111111 -0.1043 9 C -0.4867 -1.7237 -0.0711 C.3 1 UNL11111111 -0.2795 10 C -1.9550 -1.7610 -0.5325 C.3 1 UNL11111111 -0.2896 11 C 0.0706 2.1345 -0.2843 C.3 1 UNL11111111 -0.2856 12 C -3.0136 1.8348 -0.1028 C.3 1 UNL11111111 -0.2776 13 C -4.1400 -0.3410 -0.5270 C.3 1 UNL11111111 0.1402 14 C 1.5134 2.1915 0.2203 C.3 1 UNL11111111 -0.2806 15 C -4.3859 1.1861 -0.3914 C.3 1 UNL11111111 -0.3321 16 C 2.4685 -1.5194 -0.5850 C.3 1 UNL11111111 -0.2858 17 C -2.8080 -0.7009 1.5819 C.3 1 UNL11111111 -0.4567 18 C 1.7602 -0.5581 1.6269 C.3 1 UNL11111111 -0.4632 19 C 3.7665 1.0996 0.1737 C.3 1 UNL11111111 -0.4016 20 C 3.8905 -1.1588 -1.0283 C.3 1 UNL11111111 -0.3812 21 C 4.5359 -0.1631 -0.1030 C.2 1 UNL11111111 0.4986 22 H -0.6212 0.7746 1.2593 H 1 UNL11111111 0.1430 23 H 0.2447 -0.2887 -1.5157 H 1 UNL11111111 0.1346 24 H -1.9106 0.6719 -1.5410 H 1 UNL11111111 0.1389 25 H 2.3051 1.0392 -1.4293 H 1 UNL11111111 0.1371 26 H -0.4420 -1.9131 1.0178 H 1 UNL11111111 0.1429 27 H 0.0584 -2.5621 -0.5426 H 1 UNL11111111 0.1350 28 H -2.0064 -1.7455 -1.6364 H 1 UNL11111111 0.1372 29 H -2.4258 -2.7131 -0.2244 H 1 UNL11111111 0.1474 30 H -0.5042 2.9925 0.1108 H 1 UNL11111111 0.1373 31 H 0.0445 2.2347 -1.3850 H 1 UNL11111111 0.1382 32 H -2.8471 2.7308 -0.7181 H 1 UNL11111111 0.1358 33 H -2.9327 2.1588 0.9465 H 1 UNL11111111 0.1391 34 H -4.2227 -0.6917 -1.5767 H 1 UNL11111111 0.1384 35 H 1.9898 3.1365 -0.1011 H 1 UNL11111111 0.1363 36 H 1.5283 2.2081 1.3262 H 1 UNL11111111 0.1421 37 H -5.1081 1.3927 0.4128 H 1 UNL11111111 0.1458 38 H -4.8348 1.5896 -1.3112 H 1 UNL11111111 0.1443 39 H 1.9109 -1.8750 -1.4736 H 1 UNL11111111 0.1429 40 H 2.5088 -2.3897 0.0989 H 1 UNL11111111 0.1483 41 H -1.8161 -0.7179 2.0489 H 1 UNL11111111 0.1529 42 H -3.3545 0.1356 2.0292 H 1 UNL11111111 0.1427 43 H -3.3087 -1.6357 1.8655 H 1 UNL11111111 0.1498 44 H 2.7985 -0.6182 1.9740 H 1 UNL11111111 0.1527 45 H 1.2811 0.2678 2.1630 H 1 UNL11111111 0.1482 46 H 1.2641 -1.4818 1.9439 H 1 UNL11111111 0.1455 47 H 3.8077 1.3269 1.2594 H 1 UNL11111111 0.1774 48 H 4.2794 1.9548 -0.3111 H 1 UNL11111111 0.1700 49 H 3.8822 -0.7355 -2.0537 H 1 UNL11111111 0.1633 50 H 4.5117 -2.0769 -1.0934 H 1 UNL11111111 0.1703 51 H -5.2064 -0.8856 1.0561 H 1 UNL11111111 0.3150 @BOND 1 49 20 1 2 28 10 1 3 34 13 1 4 24 5 1 5 23 4 1 6 39 16 1 7 25 8 1 8 31 11 1 9 38 15 1 10 50 20 1 11 20 16 1 12 20 21 1 13 32 12 1 14 16 40 1 15 16 7 1 16 27 9 1 17 10 29 1 18 10 9 1 19 10 6 1 20 13 15 1 21 13 6 1 22 13 1 1 23 5 12 1 24 5 6 1 25 5 3 1 26 4 9 1 27 4 7 1 28 4 3 1 29 15 12 1 30 15 37 1 31 8 7 1 32 8 19 1 33 8 14 1 34 48 19 1 35 11 30 1 36 11 3 1 37 11 14 1 38 21 19 1 39 21 2 2 40 12 33 1 41 35 14 1 42 9 26 1 43 6 17 1 44 1 51 1 45 7 18 1 46 3 22 1 47 19 47 1 48 14 36 1 49 17 43 1 50 17 42 1 51 17 41 1 52 18 46 1 53 18 44 1 54 18 45 1