@MOLECULE 7-chloro-4-hydroxy-n-methyl-n-nitroso-5-phenyl-3,4-dihydro-2h-1,4-benzodiazepin-2-iminium 37 39 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL -3.3593 3.3012 -0.2402 Cl 1 UNL1 -0.0786 2 O 0.5159 -2.8394 -0.8946 O.3 1 UNL1 -0.3466 3 O 5.9119 0.4646 0.3544 O.2 1 UNL1 -0.2587 4 N 0.7683 -1.5694 -0.3208 N.4 1 UNL1 -0.1426 5 N 2.0133 1.0286 0.3380 N.2 1 UNL1 -0.3889 6 N 3.9189 -0.3022 0.0607 N.pl3 1 UNL1 -0.3584 7 N 4.8162 0.6895 -0.0562 N.2 1 UNL1 0.2466 8 C -0.3977 -0.8272 -0.1550 C.3 1 UNL1 0.0013 9 C -0.4294 0.6017 -0.0760 C.ar 1 UNL1 -0.0449 10 C 1.8470 -0.9800 -1.1400 C.3 1 UNL1 -0.1878 11 C 0.6952 1.4467 0.1319 C.ar 1 UNL1 0.1269 12 C -1.6279 -1.5913 0.0812 C.ar 1 UNL1 -0.0369 13 C 2.5463 -0.0070 -0.2073 C.2 1 UNL1 0.3752 14 C -1.6998 1.2232 -0.1845 C.ar 1 UNL1 -0.1716 15 C 0.5366 2.8475 0.2369 C.ar 1 UNL1 -0.1099 16 C -2.2030 -2.3392 -0.9500 C.ar 1 UNL1 -0.1294 17 C -2.2235 -1.5608 1.3462 C.ar 1 UNL1 -0.1333 18 C -1.8102 2.5941 -0.0913 C.ar 1 UNL1 0.0247 19 C -0.7133 3.4327 0.1205 C.ar 1 UNL1 -0.1699 20 C -3.3737 -3.0555 -0.7127 C.ar 1 UNL1 -0.1563 21 C -3.3906 -2.2833 1.5775 C.ar 1 UNL1 -0.1482 22 C 4.2106 -1.5670 0.7581 C.3 1 UNL1 -0.2709 23 C -3.9653 -3.0296 0.5493 C.ar 1 UNL1 -0.1345 24 H 1.4789 -0.4481 -2.0477 H 1 UNL1 0.1720 25 H 2.5211 -1.7893 -1.5090 H 1 UNL1 0.1932 26 H -2.5867 0.6070 -0.3520 H 1 UNL1 0.1855 27 H 1.4256 3.4605 0.4155 H 1 UNL1 0.1843 28 H -1.7366 -2.3573 -1.9350 H 1 UNL1 0.1645 29 H -1.7714 -0.9715 2.1439 H 1 UNL1 0.1640 30 H -0.8344 4.5124 0.1953 H 1 UNL1 0.1743 31 H -3.8269 -3.6348 -1.5148 H 1 UNL1 0.1531 32 H -3.8543 -2.2637 2.5626 H 1 UNL1 0.1544 33 H 0.2449 -3.4045 -0.1122 H 1 UNL1 0.3094 34 H 4.5435 -1.3707 1.7946 H 1 UNL1 0.1619 35 H 5.0228 -2.1021 0.2344 H 1 UNL1 0.1603 36 H 3.3229 -2.2189 0.8010 H 1 UNL1 0.1657 37 H -4.8795 -3.5915 0.7322 H 1 UNL1 0.1500 @BOND 1 24 10 1 2 28 16 1 3 31 20 1 4 25 10 1 5 10 4 1 6 10 13 1 7 16 20 ar 8 16 12 ar 9 2 4 1 10 2 33 1 11 20 23 ar 12 26 14 1 13 4 8 1 14 1 18 1 15 13 6 1 16 13 5 2 17 14 18 ar 18 14 9 ar 19 8 9 1 20 8 12 1 21 18 19 ar 22 9 11 ar 23 7 6 1 24 7 3 2 25 6 22 1 26 12 17 ar 27 19 30 1 28 19 15 ar 29 11 15 ar 30 11 5 1 31 35 22 1 32 15 27 1 33 23 37 1 34 23 21 ar 35 22 36 1 36 22 34 1 37 17 21 ar 38 17 29 1 39 21 32 1