@MOLECULE (10alpha)-androst-5-en-17-one 48 51 0 0 0 SMALL USER_CHARGES @ATOM 1 O -3.6428 -1.4192 1.2798 O.2 1 UNL111111111111 -0.4641 2 C 0.3898 -0.3714 -0.4687 C.3 1 UNL111111111111 -0.1358 3 C -0.3826 0.8954 -0.0608 C.3 1 UNL111111111111 -0.1188 4 C -1.8136 0.9594 -0.6421 C.3 1 UNL111111111111 -0.1269 5 C -2.5884 -0.3832 -0.6498 C.3 1 UNL111111111111 -0.0359 6 C 1.7945 -0.4115 0.2109 C.3 1 UNL111111111111 0.0641 7 C -0.4449 -1.6100 -0.1169 C.3 1 UNL111111111111 -0.2812 8 C -1.7340 -1.6150 -0.9363 C.3 1 UNL111111111111 -0.2741 9 C -2.6789 1.8808 0.2630 C.3 1 UNL111111111111 -0.2765 10 C 0.3930 2.1350 -0.5488 C.3 1 UNL111111111111 -0.2813 11 C 2.4768 0.9331 0.1175 C.2 1 UNL111111111111 -0.0018 12 C 2.6402 -1.4712 -0.5410 C.3 1 UNL111111111111 -0.2840 13 C -3.2334 -0.4314 0.7355 C.2 1 UNL111111111111 0.4773 14 C -3.2979 0.9602 1.3246 C.3 1 UNL111111111111 -0.3885 15 C 1.8407 2.0640 -0.2057 C.2 1 UNL111111111111 -0.2231 16 C -3.7395 -0.3284 -1.6670 C.3 1 UNL111111111111 -0.4555 17 C 1.6786 -0.7779 1.7015 C.3 1 UNL111111111111 -0.4524 18 C 3.9394 0.9670 0.4609 C.3 1 UNL111111111111 -0.2835 19 C 4.1081 -1.4746 -0.1036 C.3 1 UNL111111111111 -0.2645 20 C 4.7199 -0.0894 -0.3318 C.3 1 UNL111111111111 -0.2583 21 H 0.5463 -0.3427 -1.5739 H 1 UNL111111111111 0.1405 22 H -0.4431 0.9180 1.0536 H 1 UNL111111111111 0.1447 23 H -1.7666 1.3564 -1.6777 H 1 UNL111111111111 0.1409 24 H -0.6903 -1.6242 0.9628 H 1 UNL111111111111 0.1499 25 H 0.1283 -2.5350 -0.3103 H 1 UNL111111111111 0.1393 26 H -1.4940 -1.6666 -2.0158 H 1 UNL111111111111 0.1419 27 H -2.3201 -2.5302 -0.7079 H 1 UNL111111111111 0.1559 28 H -3.4612 2.3791 -0.3327 H 1 UNL111111111111 0.1375 29 H -2.0832 2.6873 0.7167 H 1 UNL111111111111 0.1448 30 H -0.0578 3.0523 -0.1197 H 1 UNL111111111111 0.1414 31 H 0.2916 2.2380 -1.6511 H 1 UNL111111111111 0.1469 32 H 2.5852 -1.2744 -1.6290 H 1 UNL111111111111 0.1389 33 H 2.2017 -2.4738 -0.3869 H 1 UNL111111111111 0.1371 34 H -4.3354 1.2378 1.5751 H 1 UNL111111111111 0.1680 35 H -2.7416 0.9951 2.2791 H 1 UNL111111111111 0.1715 36 H 2.3620 3.0175 -0.2549 H 1 UNL111111111111 0.1429 37 H -4.3539 -1.2366 -1.6152 H 1 UNL111111111111 0.1573 38 H -4.4021 0.5262 -1.4922 H 1 UNL111111111111 0.1480 39 H -3.3593 -0.2457 -2.6911 H 1 UNL111111111111 0.1513 40 H 1.3234 -1.8040 1.8399 H 1 UNL111111111111 0.1483 41 H 2.6473 -0.7037 2.2078 H 1 UNL111111111111 0.1467 42 H 0.9875 -0.1051 2.2209 H 1 UNL111111111111 0.1471 43 H 4.3730 1.9684 0.2697 H 1 UNL111111111111 0.1385 44 H 4.0670 0.7960 1.5500 H 1 UNL111111111111 0.1476 45 H 4.6692 -2.2401 -0.6702 H 1 UNL111111111111 0.1307 46 H 4.1930 -1.7615 0.9606 H 1 UNL111111111111 0.1381 47 H 4.7008 0.1610 -1.4093 H 1 UNL111111111111 0.1391 48 H 5.7834 -0.0815 -0.0325 H 1 UNL111111111111 0.1301 @BOND 1 39 16 1 2 26 8 1 3 23 4 1 4 16 37 1 5 16 38 1 6 16 5 1 7 31 10 1 8 32 12 1 9 21 2 1 10 47 20 1 11 8 27 1 12 8 5 1 13 8 7 1 14 45 19 1 15 5 4 1 16 5 13 1 17 4 3 1 18 4 9 1 19 10 15 1 20 10 30 1 21 10 3 1 22 12 33 1 23 12 19 1 24 12 6 1 25 2 7 1 26 2 3 1 27 2 6 1 28 28 9 1 29 20 19 1 30 20 48 1 31 20 18 1 32 25 7 1 33 36 15 1 34 15 11 2 35 7 24 1 36 19 46 1 37 3 22 1 38 11 6 1 39 11 18 1 40 6 17 1 41 9 29 1 42 9 14 1 43 43 18 1 44 18 44 1 45 13 1 2 46 13 14 1 47 14 34 1 48 14 35 1 49 17 40 1 50 17 41 1 51 17 42 1