@MOLECULE 19-azidoandrost-4-ene-3,17-dione 49 52 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -5.1247 1.2689 0.3471 O.2 1 UNL1 -0.4467 2 O 4.8035 -2.4814 0.2007 O.2 1 UNL1 -0.4631 3 N 2.2490 2.2758 0.3634 N.2 1 UNL1 -0.4475 4 N 2.5752 3.4108 -0.0215 N.2 1 UNL1 0.4206 5 N 2.8382 4.5109 -0.1466 N.2 1 UNL1 -0.2181 6 C -0.8458 -1.0713 0.3774 C.3 1 UNL1 -0.1145 7 C -0.0432 0.2656 0.3720 C.3 1 UNL1 -0.1202 8 C -2.2879 -0.7050 0.7257 C.3 1 UNL1 -0.1409 9 C -2.9533 0.3199 -0.2334 C.3 1 UNL1 -0.0324 10 C 1.4631 -0.0252 0.1011 C.3 1 UNL1 0.0248 11 C -0.6832 1.3274 -0.5431 C.3 1 UNL1 -0.2736 12 C -2.1496 1.6131 -0.1609 C.3 1 UNL1 -0.2731 13 C -0.6875 -1.9326 -0.8867 C.3 1 UNL1 -0.2691 14 C -3.3418 -1.8164 0.8767 C.3 1 UNL1 -0.2725 15 C 1.6417 -1.2150 -0.8176 C.2 1 UNL1 0.0854 16 C 0.5086 -1.4939 -1.7452 C.3 1 UNL1 -0.2964 17 C -4.3696 0.3397 0.3515 C.2 1 UNL1 0.4598 18 C -4.6714 -1.0319 0.9347 C.3 1 UNL1 -0.3881 19 C 2.1369 -0.3554 1.4574 C.3 1 UNL1 -0.2678 20 C -3.1640 -0.0948 -1.6936 C.3 1 UNL1 -0.4504 21 C 2.2070 1.1565 -0.5890 C.3 1 UNL1 -0.1063 22 C 3.5981 -0.7700 1.3008 C.3 1 UNL1 -0.3793 23 C 2.7225 -2.0041 -0.7598 C.2 1 UNL1 -0.3502 24 C 3.7934 -1.8177 0.2331 C.2 1 UNL1 0.4847 25 H -0.4415 -1.6817 1.2290 H 1 UNL1 0.1352 26 H -0.1068 0.6904 1.4106 H 1 UNL1 0.1501 27 H -2.2272 -0.1977 1.7337 H 1 UNL1 0.1446 28 H -0.6283 1.0138 -1.5999 H 1 UNL1 0.1366 29 H -0.1225 2.2782 -0.4632 H 1 UNL1 0.1425 30 H -2.2047 2.0544 0.8522 H 1 UNL1 0.1480 31 H -2.5776 2.3793 -0.8353 H 1 UNL1 0.1529 32 H -1.6057 -1.9290 -1.4975 H 1 UNL1 0.1502 33 H -0.5525 -2.9911 -0.5857 H 1 UNL1 0.1404 34 H -3.3210 -2.5177 0.0283 H 1 UNL1 0.1425 35 H -3.1780 -2.4204 1.7812 H 1 UNL1 0.1430 36 H 0.2514 -0.5960 -2.3425 H 1 UNL1 0.1532 37 H 0.7551 -2.2791 -2.4869 H 1 UNL1 0.1531 38 H -5.0482 -0.9351 1.9679 H 1 UNL1 0.1715 39 H -5.4775 -1.5267 0.3683 H 1 UNL1 0.1699 40 H 1.5710 -1.1649 1.9588 H 1 UNL1 0.1454 41 H 2.0710 0.5257 2.1301 H 1 UNL1 0.1671 42 H -2.2193 -0.1256 -2.2484 H 1 UNL1 0.1564 43 H -3.8099 0.6311 -2.2083 H 1 UNL1 0.1580 44 H -3.6384 -1.0781 -1.7830 H 1 UNL1 0.1469 45 H 3.2442 0.8362 -0.8507 H 1 UNL1 0.1533 46 H 1.7013 1.4183 -1.5432 H 1 UNL1 0.1416 47 H 3.9976 -1.1465 2.2667 H 1 UNL1 0.1764 48 H 4.2356 0.1086 1.0644 H 1 UNL1 0.1752 49 H 2.8662 -2.8533 -1.4274 H 1 UNL1 0.1807 @BOND 1 37 16 1 2 36 16 1 3 42 20 1 4 43 20 1 5 44 20 1 6 16 13 1 7 16 15 1 8 20 9 1 9 28 11 1 10 46 21 1 11 32 13 1 12 49 23 1 13 13 33 1 14 13 6 1 15 45 21 1 16 31 12 1 17 15 23 2 18 15 10 1 19 23 24 1 20 21 10 1 21 21 3 1 22 11 29 1 23 11 12 1 24 11 7 1 25 9 12 1 26 9 17 1 27 9 8 1 28 12 30 1 29 5 4 2 30 4 3 2 31 34 14 1 32 10 7 1 33 10 19 1 34 2 24 2 35 24 22 1 36 1 17 2 37 17 18 1 38 39 18 1 39 7 6 1 40 7 26 1 41 6 8 1 42 6 25 1 43 8 14 1 44 8 27 1 45 14 18 1 46 14 35 1 47 18 38 1 48 48 22 1 49 22 19 1 50 22 47 1 51 19 40 1 52 19 41 1