@MOLECULE (8xi,9xi,14xi)-19-azidoandrost-4-ene-3,17-dione 24 28 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 3.9859 0.2601 0.7636 O.2 1 UNL1 -0.2123 2 O -4.8645 -0.0677 1.2558 O.2 1 UNL1 -0.3041 3 N -0.8439 2.9725 -0.3306 N.2 1 UNL1 -0.3890 4 N 0.0055 3.8974 -0.2173 N.2 1 UNL1 0.4360 5 N 0.5541 4.8831 -0.1397 N.2 1 UNL1 -0.1102 6 C 0.1563 -2.0572 -1.0092 C.3 1 UNL1 0.0370 7 C -0.4829 -0.9994 -1.7080 C.3 1 UNL1 0.0993 8 C 1.3604 -1.5429 -0.4064 C.3 1 UNL1 -0.0468 9 C 1.4720 -0.2100 -0.1251 C.2 1 UNL1 0.0649 10 C -1.5104 -0.5302 -0.9754 C.3 1 UNL1 -0.1087 11 C 0.7311 1.1050 -0.1779 C.2 1 UNL1 -0.2742 12 C 2.0182 1.6879 0.1846 C.3 1 UNL1 0.0820 13 C -0.9350 -4.0240 0.0929 C.2 1 UNL1 0.5598 14 C 2.5579 -2.1614 -0.0042 C.2 1 UNL1 0.0273 15 C -1.9754 -1.7297 -0.1420 C.2 1 UNL1 0.0776 16 C -0.9431 -2.7546 -0.2996 C.2 1 UNL1 -0.5518 17 C 4.5596 -0.9037 0.8662 C.3 1 UNL1 0.4012 18 C 3.6737 -1.9561 0.4584 C.2 1 UNL1 -0.2939 19 C -1.7313 0.7739 -0.3804 C.3 1 UNL1 -0.0721 20 C 2.7251 0.5594 0.3549 C.2 1 UNL1 -0.0335 21 C -0.5214 1.6148 -0.3211 C.2 1 UNL1 0.3033 22 C -2.8368 0.8333 0.3484 C.3 1 UNL1 0.0336 23 C -3.0478 -1.4514 0.5669 C.2 1 UNL1 -0.1373 24 C -3.7683 -0.2158 0.7889 C.2 1 UNL1 0.4116 @BOND 1 7 6 1 2 7 10 1 3 6 8 1 4 6 16 1 5 10 19 1 6 10 15 1 7 8 9 1 8 8 14 1 9 19 21 1 10 19 22 1 11 3 21 1 12 3 4 2 13 21 11 2 14 16 15 1 15 16 13 2 16 4 5 2 17 11 9 1 18 11 12 1 19 15 23 2 20 9 20 2 21 14 18 2 22 12 20 1 23 22 24 1 24 20 1 1 25 18 17 1 26 23 24 1 27 1 17 1 28 24 2 2