@MOLECULE (3beta,20s)-pregn-5-ene-3,20-diamine 59 62 0 0 0 SMALL GASTEIGER @ATOM 1 N -6.1123 -0.0232 0.3474 N.3 1 UNL1111111111 -0.6641 2 N 6.4663 0.1576 0.2992 N.3 1 UNL1111111111 -0.6650 3 C -2.2565 0.2412 -0.0838 C.3 1 UNL1111111111 0.0733 4 C -1.4340 -1.0117 0.3433 C.3 1 UNL1111111111 -0.1408 5 C -0.0049 -0.9628 -0.1943 C.3 1 UNL1111111111 -0.1158 6 C 0.6932 0.2972 0.3721 C.3 1 UNL1111111111 -0.1323 7 C -3.6638 -0.1508 0.4560 C.3 1 UNL1111111111 -0.1558 8 C 2.1292 0.4342 -0.2253 C.3 1 UNL1111111111 0.0627 9 C -1.5998 1.4435 0.6075 C.3 1 UNL1111111111 -0.2977 10 C -2.3224 -2.1904 -0.0768 C.3 1 UNL1111111111 -0.2851 11 C -0.1367 1.5772 0.1517 C.3 1 UNL1111111111 -0.2758 12 C -3.7586 -1.6782 0.1722 C.3 1 UNL1111111111 -0.2623 13 C 0.7691 -2.2125 0.2589 C.3 1 UNL1111111111 -0.2850 14 C -2.2958 0.4462 -1.6019 C.3 1 UNL1111111111 -0.4583 15 C 2.8542 -0.8902 -0.1399 C.2 1 UNL1111111111 -0.0191 16 C 2.8808 1.5022 0.6101 C.3 1 UNL1111111111 -0.2820 17 C -4.8644 0.5996 -0.1582 C.3 1 UNL1111111111 0.0718 18 C 2.2379 -2.0605 0.0637 C.2 1 UNL1111111111 -0.2011 19 C 2.0905 0.8502 -1.7064 C.3 1 UNL1111111111 -0.4530 20 C 4.3371 -0.8617 -0.3612 C.3 1 UNL1111111111 -0.3063 21 C 4.3756 1.5670 0.2943 C.3 1 UNL1111111111 -0.3338 22 C 5.0107 0.1836 0.5497 C.3 1 UNL1111111111 0.0767 23 C -4.8182 2.1052 0.1659 C.3 1 UNL1111111111 -0.5079 24 H -1.3732 -1.0174 1.4623 H 1 UNL1111111111 0.1365 25 H -0.0100 -0.9234 -1.3059 H 1 UNL1111111111 0.1422 26 H 0.8014 0.1474 1.4752 H 1 UNL1111111111 0.1388 27 H -3.6751 0.0136 1.5567 H 1 UNL1111111111 0.1309 28 H -1.6464 1.3281 1.7054 H 1 UNL1111111111 0.1367 29 H -2.1435 2.3767 0.3791 H 1 UNL1111111111 0.1354 30 H -2.1053 -3.0981 0.5033 H 1 UNL1111111111 0.1314 31 H -2.1694 -2.4516 -1.1355 H 1 UNL1111111111 0.1369 32 H -0.1199 1.8628 -0.9168 H 1 UNL1111111111 0.1427 33 H 0.3334 2.4176 0.6963 H 1 UNL1111111111 0.1319 34 H -4.4084 -1.8759 -0.6961 H 1 UNL1111111111 0.1496 35 H -4.2330 -2.1959 1.0186 H 1 UNL1111111111 0.1354 36 H 0.3948 -3.0979 -0.2940 H 1 UNL1111111111 0.1447 37 H 0.5636 -2.4227 1.3304 H 1 UNL1111111111 0.1490 38 H -2.8079 1.3764 -1.8662 H 1 UNL1111111111 0.1398 39 H -1.2893 0.4978 -2.0320 H 1 UNL1111111111 0.1495 40 H -2.8156 -0.3799 -2.1008 H 1 UNL1111111111 0.1501 41 H 2.7431 1.2844 1.6873 H 1 UNL1111111111 0.1413 42 H 2.4236 2.4943 0.4377 H 1 UNL1111111111 0.1392 43 H -4.8705 0.4597 -1.2706 H 1 UNL1111111111 0.1432 44 H 2.7955 -2.9946 0.1095 H 1 UNL1111111111 0.1448 45 H 1.6872 1.8592 -1.8346 H 1 UNL1111111111 0.1442 46 H 3.0929 0.8448 -2.1479 H 1 UNL1111111111 0.1455 47 H 1.4734 0.1603 -2.2930 H 1 UNL1111111111 0.1494 48 H 4.7995 -1.8528 -0.1703 H 1 UNL1111111111 0.1603 49 H 4.5531 -0.6450 -1.4266 H 1 UNL1111111111 0.1489 50 H 4.5363 1.8787 -0.7535 H 1 UNL1111111111 0.1417 51 H 4.8614 2.3360 0.9200 H 1 UNL1111111111 0.1342 52 H 4.8544 -0.1085 1.6209 H 1 UNL1111111111 0.1437 53 H -5.7298 2.6121 -0.1647 H 1 UNL1111111111 0.1445 54 H -4.7041 2.2844 1.2390 H 1 UNL1111111111 0.1480 55 H -3.9783 2.5921 -0.3419 H 1 UNL1111111111 0.1561 56 H -6.9312 0.4519 0.0069 H 1 UNL1111111111 0.2477 57 H -6.1453 -0.0468 1.3522 H 1 UNL1111111111 0.2466 58 H 6.9671 0.7843 0.9057 H 1 UNL1111111111 0.2490 59 H 6.6966 0.3730 -0.6556 H 1 UNL1111111111 0.2470 @BOND 1 1 17 1 2 1 56 1 3 1 57 1 4 2 22 1 5 2 58 1 6 2 59 1 7 3 4 1 8 3 7 1 9 3 9 1 10 3 14 1 11 4 5 1 12 4 10 1 13 4 24 1 14 5 6 1 15 5 13 1 16 5 25 1 17 6 8 1 18 6 11 1 19 6 26 1 20 7 12 1 21 7 17 1 22 7 27 1 23 8 15 1 24 8 16 1 25 8 19 1 26 9 11 1 27 9 28 1 28 9 29 1 29 10 12 1 30 10 30 1 31 10 31 1 32 11 32 1 33 11 33 1 34 12 34 1 35 12 35 1 36 13 18 1 37 13 36 1 38 13 37 1 39 14 38 1 40 14 39 1 41 14 40 1 42 15 18 2 43 15 20 1 44 16 21 1 45 16 41 1 46 16 42 1 47 17 23 1 48 17 43 1 49 18 44 1 50 19 45 1 51 19 46 1 52 19 47 1 53 20 22 1 54 20 48 1 55 20 49 1 56 21 22 1 57 21 50 1 58 21 51 1 59 22 52 1 60 23 53 1 61 23 54 1 62 23 55 1