@MOLECULE 5-(2-fluorophenyl)-3-hydroxy-1-methyl-7-nitro-1,3-dihydro-2h-1,4-benzodiazepin-2-one 24 27 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 F -2.6768 2.2999 -1.3440 F 1 UNL1 -0.0882 2 O -3.1668 -1.8834 -1.3855 O.2 1 UNL1 -0.2970 3 O -2.5754 -3.5952 0.9930 O.2 1 UNL1 -0.3013 4 O 3.9850 1.6214 -0.6210 O.2 1 UNL1 -0.3485 5 O 5.0690 -0.2214 -0.3131 O.2 1 UNL1 -0.3800 6 N -0.5051 -2.8244 0.4066 N.ar 1 UNL1 -0.6642 7 N -2.1824 -0.2812 -0.1066 N.ar 1 UNL1 -0.4729 8 N 4.0430 0.4289 -0.3988 N.pl3 1 UNL1 0.6663 9 C 0.2523 -0.3355 -0.0779 C.ar 1 UNL1 -0.2936 10 C 0.2978 -1.7080 0.1372 C.ar 1 UNL1 0.3238 11 C -1.0529 0.3303 -0.0013 C.ar 1 UNL1 0.3855 12 C -2.4637 -1.6054 -0.4574 C.ar 1 UNL1 0.4751 13 C -1.9254 -2.7801 0.4227 C.ar 1 UNL1 0.4833 14 C 1.5283 0.1663 -0.2343 C.ar 1 UNL1 0.1172 15 C 1.5570 -2.4231 0.2194 C.ar 1 UNL1 -0.5802 16 C -1.0323 1.7599 0.3012 C.ar 1 UNL1 -0.1127 17 C 2.8019 -0.2822 -0.2182 C.ar 1 UNL1 -0.1806 18 C 2.6004 -1.6350 0.0281 C.ar 1 UNL1 0.3058 19 C 0.6670 -3.7164 0.5441 C.3 1 UNL1 0.7178 20 C -1.8827 2.7126 -0.3924 C.ar 1 UNL1 0.3078 21 C -0.2303 2.3597 1.2472 C.ar 1 UNL1 0.0029 22 C -1.7481 4.0240 0.0079 C.ar 1 UNL1 -0.1815 23 C -0.1681 3.5928 1.5685 C.ar 1 UNL1 -0.0055 24 C -0.9594 4.4563 0.9137 C.ar 1 UNL1 0.1207 @BOND 1 2 12 2 2 1 20 1 3 4 8 2 4 12 7 ar 5 12 13 ar 6 8 5 2 7 8 17 1 8 20 22 ar 9 20 16 ar 10 14 17 ar 11 14 9 ar 12 17 18 ar 13 7 11 ar 14 9 11 ar 15 9 10 ar 16 11 16 1 17 22 24 ar 18 18 15 ar 19 10 15 ar 20 10 6 ar 21 15 19 1 22 16 21 ar 23 6 13 ar 24 6 19 1 25 13 3 2 26 24 23 ar 27 21 23 ar