@MOLECULE (5alpha,8alpha,9beta,13alpha,14beta)-androstane 51 54 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.1741 0.4065 0.7184 C.3 1 UNL111111111 -0.1450 2 C 0.5995 -0.7071 -0.0401 C.3 1 UNL111111111 -0.1207 3 C 2.0772 -0.5521 0.3196 C.3 1 UNL111111111 -0.1393 4 C -1.7258 0.2554 0.5398 C.3 1 UNL111111111 0.0740 5 C 2.6287 0.8093 -0.1906 C.3 1 UNL111111111 0.0844 6 C -2.0363 -0.9104 -0.4359 C.3 1 UNL111111111 -0.1113 7 C 0.3747 1.7974 0.3415 C.3 1 UNL111111111 -0.2764 8 C 1.8946 1.9171 0.5726 C.3 1 UNL111111111 -0.2971 9 C 0.0696 -2.0827 0.3845 C.3 1 UNL111111111 -0.2815 10 C 3.0878 -1.5744 -0.2203 C.3 1 UNL111111111 -0.2786 11 C -1.4177 -2.2373 0.0326 C.3 1 UNL111111111 -0.2837 12 C 4.1361 0.6616 0.1286 C.3 1 UNL111111111 -0.3005 13 C -2.3764 1.5314 -0.0453 C.3 1 UNL111111111 -0.2904 14 C 4.4469 -0.8366 -0.1170 C.3 1 UNL111111111 -0.2617 15 C -3.5492 -1.0967 -0.6492 C.3 1 UNL111111111 -0.2817 16 C -2.3176 -0.0098 1.9378 C.3 1 UNL111111111 -0.4621 17 C 2.4747 1.0198 -1.7039 C.3 1 UNL111111111 -0.4571 18 C -3.8830 1.3717 -0.2942 C.3 1 UNL111111111 -0.2624 19 C -4.1658 0.1845 -1.2206 C.3 1 UNL111111111 -0.2654 20 H 0.0503 0.2656 1.8066 H 1 UNL111111111 0.1394 21 H 0.4654 -0.5860 -1.1381 H 1 UNL111111111 0.1420 22 H 2.1598 -0.5642 1.4368 H 1 UNL111111111 0.1365 23 H -1.5895 -0.6426 -1.4267 H 1 UNL111111111 0.1362 24 H -0.1367 2.5721 0.9430 H 1 UNL111111111 0.1341 25 H 0.1493 2.0223 -0.7169 H 1 UNL111111111 0.1394 26 H 2.2459 2.9120 0.2479 H 1 UNL111111111 0.1360 27 H 2.1179 1.8531 1.6527 H 1 UNL111111111 0.1360 28 H 0.2196 -2.2228 1.4703 H 1 UNL111111111 0.1353 29 H 0.6602 -2.8780 -0.1055 H 1 UNL111111111 0.1353 30 H 2.8610 -1.8529 -1.2608 H 1 UNL111111111 0.1368 31 H 3.0841 -2.5060 0.3622 H 1 UNL111111111 0.1306 32 H -1.5406 -2.9959 -0.7623 H 1 UNL111111111 0.1316 33 H -1.9727 -2.6263 0.9053 H 1 UNL111111111 0.1355 34 H 4.3480 0.9398 1.1720 H 1 UNL111111111 0.1333 35 H 4.7588 1.3149 -0.4976 H 1 UNL111111111 0.1346 36 H -1.8840 1.7913 -1.0015 H 1 UNL111111111 0.1377 37 H -2.2122 2.3840 0.6384 H 1 UNL111111111 0.1338 38 H 5.0542 -1.2464 0.7036 H 1 UNL111111111 0.1294 39 H 5.0332 -0.9696 -1.0381 H 1 UNL111111111 0.1300 40 H -4.0436 -1.3693 0.3002 H 1 UNL111111111 0.1369 41 H -3.7294 -1.9423 -1.3373 H 1 UNL111111111 0.1294 42 H -1.8758 -0.9026 2.3926 H 1 UNL111111111 0.1448 43 H -2.1374 0.8361 2.6085 H 1 UNL111111111 0.1398 44 H -3.3995 -0.1690 1.8960 H 1 UNL111111111 0.1454 45 H 2.9933 0.2378 -2.2687 H 1 UNL111111111 0.1459 46 H 1.4257 1.0047 -2.0171 H 1 UNL111111111 0.1473 47 H 2.8946 1.9838 -2.0081 H 1 UNL111111111 0.1394 48 H -4.2863 2.3016 -0.7361 H 1 UNL111111111 0.1272 49 H -4.4159 1.2385 0.6652 H 1 UNL111111111 0.1348 50 H -5.2549 0.0560 -1.3545 H 1 UNL111111111 0.1271 51 H -3.7551 0.3849 -2.2280 H 1 UNL111111111 0.1349 @BOND 1 45 17 1 2 51 19 1 3 46 17 1 4 47 17 1 5 17 5 1 6 23 6 1 7 50 19 1 8 41 15 1 9 30 10 1 10 19 15 1 11 19 18 1 12 21 2 1 13 39 14 1 14 36 13 1 15 32 11 1 16 48 18 1 17 25 7 1 18 15 6 1 19 15 40 1 20 35 12 1 21 6 11 1 22 6 4 1 23 18 13 1 24 18 49 1 25 10 14 1 26 10 3 1 27 10 31 1 28 5 12 1 29 5 3 1 30 5 8 1 31 14 12 1 32 14 38 1 33 29 9 1 34 13 4 1 35 13 37 1 36 2 3 1 37 2 9 1 38 2 1 1 39 11 9 1 40 11 33 1 41 12 34 1 42 26 8 1 43 3 22 1 44 7 8 1 45 7 1 1 46 7 24 1 47 9 28 1 48 4 1 1 49 4 16 1 50 8 27 1 51 1 20 1 52 44 16 1 53 16 42 1 54 16 43 1