@MOLECULE mesterolone 54 57 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.1777 1.0643 -0.0814 O.3 1 UNL1111111111 -0.5579 2 O 5.4796 -0.1551 0.7075 O.2 1 UNL1111111111 -0.4725 3 C 0.1184 0.3624 0.1636 C.3 1 UNL1111111111 -0.1331 4 C -0.7355 -0.8786 -0.2175 C.3 1 UNL1111111111 -0.1168 5 C 1.5645 0.2620 -0.4065 C.3 1 UNL1111111111 0.0474 6 C -2.0882 -0.7084 0.4751 C.3 1 UNL1111111111 -0.1516 7 C -2.8370 0.5394 -0.0718 C.3 1 UNL1111111111 0.0543 8 C 2.1762 -1.0643 0.1239 C.3 1 UNL1111111111 -0.1024 9 C -0.5944 1.6621 -0.2675 C.3 1 UNL1111111111 -0.2787 10 C -2.0180 1.7757 0.3102 C.3 1 UNL1111111111 -0.2936 11 C -0.0640 -2.1767 0.2518 C.3 1 UNL1111111111 -0.2845 12 C -3.1253 -1.8371 0.3659 C.3 1 UNL1111111111 -0.2712 13 C -4.1949 0.3831 0.6689 C.3 1 UNL1111111111 0.1297 14 C 2.4359 1.4564 0.0965 C.3 1 UNL1111111111 -0.0888 15 C 1.3527 -2.2838 -0.3149 C.3 1 UNL1111111111 -0.2801 16 C -4.4668 -1.1448 0.7024 C.3 1 UNL1111111111 -0.3354 17 C 1.5399 0.2986 -1.9429 C.3 1 UNL1111111111 -0.4608 18 C 3.6365 -1.2512 -0.3092 C.3 1 UNL1111111111 -0.4037 19 C -3.0911 0.5121 -1.5811 C.3 1 UNL1111111111 -0.4413 20 C 3.9074 1.2908 -0.3289 C.3 1 UNL1111111111 -0.3997 21 C 4.4473 -0.0490 0.0949 C.2 1 UNL1111111111 0.4970 22 C 2.3814 1.6593 1.6153 C.3 1 UNL1111111111 -0.4604 23 H 0.1983 0.3725 1.2786 H 1 UNL1111111111 0.1391 24 H -0.8706 -0.9185 -1.3210 H 1 UNL1111111111 0.1429 25 H -1.8891 -0.5467 1.5667 H 1 UNL1111111111 0.1372 26 H 2.1537 -1.0201 1.2437 H 1 UNL1111111111 0.1426 27 H -0.6417 1.7191 -1.3709 H 1 UNL1111111111 0.1426 28 H -0.0050 2.5397 0.0564 H 1 UNL1111111111 0.1358 29 H -1.9735 1.8913 1.4078 H 1 UNL1111111111 0.1342 30 H -2.5086 2.6906 -0.0706 H 1 UNL1111111111 0.1481 31 H -0.6679 -3.0471 -0.0665 H 1 UNL1111111111 0.1368 32 H -0.0361 -2.2160 1.3567 H 1 UNL1111111111 0.1391 33 H -2.9074 -2.6649 1.0555 H 1 UNL1111111111 0.1340 34 H -3.1416 -2.2687 -0.6475 H 1 UNL1111111111 0.1413 35 H -4.1720 0.8268 1.6832 H 1 UNL1111111111 0.1092 36 H 2.0462 2.3862 -0.3889 H 1 UNL1111111111 0.1376 37 H 1.8324 -3.2151 0.0401 H 1 UNL1111111111 0.1371 38 H 1.3239 -2.3602 -1.4168 H 1 UNL1111111111 0.1410 39 H -5.2403 -1.4081 -0.0373 H 1 UNL1111111111 0.1517 40 H -4.8441 -1.4617 1.6839 H 1 UNL1111111111 0.1354 41 H 2.5209 0.0757 -2.3735 H 1 UNL1111111111 0.1434 42 H 0.8359 -0.4359 -2.3503 H 1 UNL1111111111 0.1508 43 H 1.2337 1.2813 -2.3169 H 1 UNL1111111111 0.1445 44 H 3.7124 -1.4052 -1.4026 H 1 UNL1111111111 0.1670 45 H 4.0582 -2.1695 0.1486 H 1 UNL1111111111 0.1701 46 H -2.1639 0.5086 -2.1590 H 1 UNL1111111111 0.1389 47 H -3.6757 -0.3667 -1.8744 H 1 UNL1111111111 0.1481 48 H -3.6754 1.3924 -1.8849 H 1 UNL1111111111 0.1611 49 H 4.5237 2.1055 0.1040 H 1 UNL1111111111 0.1712 50 H 4.0096 1.3980 -1.4262 H 1 UNL1111111111 0.1641 51 H 3.0341 2.4850 1.9249 H 1 UNL1111111111 0.1499 52 H 1.3713 1.9051 1.9618 H 1 UNL1111111111 0.1484 53 H 2.7158 0.7691 2.1602 H 1 UNL1111111111 0.1511 54 H -6.0610 0.9307 0.3093 H 1 UNL1111111111 0.3095 @BOND 1 1 13 1 2 1 54 1 3 2 21 2 4 3 4 1 5 3 5 1 6 3 9 1 7 3 23 1 8 4 6 1 9 4 11 1 10 4 24 1 11 5 8 1 12 5 14 1 13 5 17 1 14 6 7 1 15 6 12 1 16 6 25 1 17 7 10 1 18 7 13 1 19 7 19 1 20 8 15 1 21 8 18 1 22 8 26 1 23 9 10 1 24 9 27 1 25 9 28 1 26 10 29 1 27 10 30 1 28 11 15 1 29 11 31 1 30 11 32 1 31 12 16 1 32 12 33 1 33 12 34 1 34 13 16 1 35 13 35 1 36 14 20 1 37 14 22 1 38 14 36 1 39 15 37 1 40 15 38 1 41 16 39 1 42 16 40 1 43 17 41 1 44 17 42 1 45 17 43 1 46 18 21 1 47 18 44 1 48 18 45 1 49 19 46 1 50 19 47 1 51 19 48 1 52 20 21 1 53 20 49 1 54 20 50 1 55 22 51 1 56 22 52 1 57 22 53 1