@MOLECULE 1-{4-[(3alpha,13alpha,14beta,17alpha)-3-hydroxy-4,4,14-trimethylandrost-7-en-17-yl]-1h-pyrrol-2-yl}-2-methyl-2-propen-1-one 71 75 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.9566 3.0761 0.4766 O.3 1 UNL111111 -0.5609 2 O 7.2062 1.5500 1.1173 O.2 1 UNL111111 -0.4744 3 N 5.0170 -0.0696 1.8223 N.ar 1 UNL111111 -0.2367 4 C -0.0923 -1.7262 -0.6145 C.3 1 UNL111111 0.0490 5 C 0.8981 -0.9162 0.2824 C.3 1 UNL111111 0.0768 6 C -3.3719 -0.1846 0.6781 C.3 1 UNL111111 0.0703 7 C -1.8118 -0.2569 0.5529 C.3 1 UNL111111 -0.1424 8 C -1.4138 -1.0211 -0.6857 C.2 1 UNL111111 -0.0150 9 C -3.8591 0.4528 -0.6574 C.3 1 UNL111111 -0.1396 10 C 2.2320 -1.6958 0.0474 C.3 1 UNL111111 -0.1187 11 C 0.4027 -0.8902 1.7316 C.3 1 UNL111111 -0.2944 12 C -1.1364 -0.7992 1.8272 C.3 1 UNL111111 -0.2670 13 C 0.7161 -1.8799 -1.9251 C.3 1 UNL111111 -0.2881 14 C -5.3234 0.9613 -0.6836 C.3 1 UNL111111 0.0362 15 C 2.1842 -2.0510 -1.4659 C.3 1 UNL111111 -0.2638 16 C -3.7268 0.7452 1.8586 C.3 1 UNL111111 -0.2927 17 C -3.5677 -0.5000 -1.8314 C.3 1 UNL111111 -0.2732 18 C -2.1973 -1.0857 -1.7678 C.2 1 UNL111111 -0.2236 19 C -0.3846 -3.1523 -0.0929 C.3 1 UNL111111 -0.4529 20 C 1.0919 0.5276 -0.2159 C.3 1 UNL111111 -0.4548 21 C -5.6093 1.8282 0.5732 C.3 1 UNL111111 0.1395 22 C -5.2054 1.1306 1.8754 C.3 1 UNL111111 -0.3286 23 C -3.9395 -1.5830 0.9345 C.3 1 UNL111111 -0.4593 24 C 3.4287 -0.9380 0.4670 C.ar 1 UNL111111 -0.0782 25 C -6.3810 -0.1475 -0.7524 C.3 1 UNL111111 -0.4629 26 C -5.5140 1.8677 -1.9162 C.3 1 UNL111111 -0.4564 27 C 4.2938 -0.1453 -0.3214 C.ar 1 UNL111111 -0.1663 28 C 3.9009 -0.8718 1.7939 C.ar 1 UNL111111 -0.0888 29 C 5.2731 0.3858 0.5311 C.ar 1 UNL111111 -0.1476 30 C 6.4110 1.2541 0.2521 C.2 1 UNL111111 0.5572 31 C 6.5468 1.7482 -1.1234 C.2 1 UNL111111 -0.8248 32 C 5.7018 2.7711 -1.6138 C.3 1 UNL111111 0.2119 33 C 7.4328 1.4453 -2.0636 C.2 1 UNL111111 0.5270 34 H -1.4465 0.7979 0.4119 H 1 UNL111111 0.1491 35 H -3.2219 1.3652 -0.8143 H 1 UNL111111 0.1357 36 H 2.1945 -2.6488 0.6328 H 1 UNL111111 0.1430 37 H 0.7459 -1.7931 2.2687 H 1 UNL111111 0.1333 38 H 0.8620 -0.0382 2.2672 H 1 UNL111111 0.1423 39 H -1.4010 -0.1568 2.6873 H 1 UNL111111 0.1337 40 H -1.5490 -1.7983 2.0629 H 1 UNL111111 0.1379 41 H 0.5996 -0.9888 -2.5625 H 1 UNL111111 0.1419 42 H 0.3752 -2.7348 -2.5248 H 1 UNL111111 0.1351 43 H 2.8499 -1.4040 -2.0556 H 1 UNL111111 0.1355 44 H 2.5363 -3.0807 -1.6279 H 1 UNL111111 0.1330 45 H -3.4693 0.2501 2.8150 H 1 UNL111111 0.1416 46 H -3.1023 1.6584 1.8233 H 1 UNL111111 0.1342 47 H -4.3080 -1.3288 -1.8437 H 1 UNL111111 0.1501 48 H -3.7049 0.0395 -2.7906 H 1 UNL111111 0.1446 49 H -1.8873 -1.6110 -2.6676 H 1 UNL111111 0.1453 50 H 0.5224 -3.7616 -0.0469 H 1 UNL111111 0.1459 51 H -1.0918 -3.6597 -0.7588 H 1 UNL111111 0.1436 52 H -0.8303 -3.1452 0.9051 H 1 UNL111111 0.1484 53 H -6.6788 2.1410 0.5977 H 1 UNL111111 0.1350 54 H 1.5054 0.5552 -1.2265 H 1 UNL111111 0.1481 55 H 1.7905 1.0710 0.4325 H 1 UNL111111 0.1527 56 H 0.1575 1.0940 -0.2408 H 1 UNL111111 0.1449 57 H -5.4068 1.8086 2.7282 H 1 UNL111111 0.1491 58 H -5.8375 0.2395 2.0396 H 1 UNL111111 0.1466 59 H -3.6605 -1.9553 1.9256 H 1 UNL111111 0.1402 60 H -5.0331 -1.5952 0.8813 H 1 UNL111111 0.1458 61 H -3.5646 -2.3043 0.1970 H 1 UNL111111 0.1562 62 H -4.7947 2.6955 -1.9214 H 1 UNL111111 0.1553 63 H -5.3990 1.3122 -2.8506 H 1 UNL111111 0.1402 64 H -6.5110 2.3222 -1.9208 H 1 UNL111111 0.1472 65 H -6.2696 -0.7527 -1.6587 H 1 UNL111111 0.1485 66 H -6.3213 -0.8270 0.1055 H 1 UNL111111 0.1478 67 H -7.3937 0.2709 -0.7706 H 1 UNL111111 0.1442 68 H -3.9863 2.9700 0.5033 H 1 UNL111111 0.3127 69 H 4.2168 0.0290 -1.3731 H 1 UNL111111 0.1597 70 H 3.5009 -1.3386 2.6730 H 1 UNL111111 0.1724 71 H 5.5745 0.1653 2.6179 H 1 UNL111111 0.3223 @BOND 1 32 31 1 2 31 33 2 3 31 30 1 4 62 26 1 5 64 26 1 6 68 1 1 7 2 30 2 8 1 21 1 9 30 29 1 10 26 63 1 11 26 14 1 12 54 20 1 13 69 27 1 14 35 9 1 15 56 20 1 16 55 20 1 17 29 27 ar 18 29 3 ar 19 53 21 1 20 20 5 1 21 21 14 1 22 21 22 1 23 48 17 1 24 27 24 ar 25 14 9 1 26 14 25 1 27 46 16 1 28 34 7 1 29 41 13 1 30 9 17 1 31 9 6 1 32 43 15 1 33 3 71 1 34 3 28 ar 35 57 22 1 36 17 18 1 37 17 47 1 38 22 16 1 39 22 58 1 40 67 25 1 41 16 6 1 42 16 45 1 43 24 28 ar 44 24 10 1 45 18 49 1 46 18 8 2 47 7 8 1 48 7 6 1 49 7 12 1 50 25 65 1 51 25 66 1 52 38 11 1 53 5 10 1 54 5 4 1 55 5 11 1 56 8 4 1 57 13 15 1 58 13 4 1 59 13 42 1 60 6 23 1 61 28 70 1 62 15 10 1 63 15 44 1 64 10 36 1 65 4 19 1 66 39 12 1 67 11 12 1 68 11 37 1 69 12 40 1 70 23 60 1 71 23 61 1 72 23 59 1 73 19 51 1 74 19 52 1 75 19 50 1