@MOLECULE 4-[(e)-{[(5e)-5-(1-methyl-5-nitro-1,3-dihydro-2h-imidazol-2-ylidene)-4,5-dihydro-1,3,4-thiadiazol-2-yl]hydrazono}methyl]-1,2-benzoquinone 36 38 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -0.8880 -0.2748 0.9032 S.2 1 UNL1 0.1726 2 O -7.6909 -0.5317 -0.4061 O.2 1 UNL1 -0.4147 3 O -6.5517 -1.9414 0.7602 O.2 1 UNL1 -0.3911 4 O 5.9341 -0.3594 -2.4882 O.2 1 UNL1 -0.3169 5 O 7.0414 -2.2792 -0.8163 O.2 1 UNL1 -0.3197 6 N -4.1590 -0.5184 0.2257 N.ar 1 UNL1 -0.2799 7 N -4.1157 1.3881 -1.0813 N.ar 1 UNL1 -0.4275 8 N -1.3082 1.8561 -0.6207 N.ar 1 UNL1 -0.2912 9 N -6.6360 -0.9549 0.0497 N.pl3 1 UNL1 0.6664 10 N 0.0373 1.8541 -0.3476 N.ar 1 UNL1 -0.1841 11 N 1.7717 0.4894 0.6847 N.pl3 1 UNL1 -0.3321 12 N 2.4300 1.5237 1.2933 N.2 1 UNL1 -0.1152 13 C -3.3012 0.4868 -0.3198 C.ar 1 UNL1 0.2700 14 C -5.4607 -0.2308 -0.3084 C.ar 1 UNL1 -0.1040 15 C -2.0068 0.7385 -0.0195 C.ar 1 UNL1 -0.2440 16 C -5.4210 0.9183 -1.0728 C.ar 1 UNL1 0.0819 17 C -3.6870 -1.9088 0.2169 C.3 1 UNL1 -0.2626 18 C 0.4427 0.8246 0.3407 C.ar 1 UNL1 0.1425 19 C 4.6880 0.6651 0.6741 C.2 1 UNL1 0.0239 20 C 3.7206 1.5585 1.3321 C.2 1 UNL1 -0.1066 21 C 4.7624 0.5555 -0.6639 C.2 1 UNL1 -0.2855 22 C 5.5797 -0.0866 1.5558 C.2 1 UNL1 -0.1055 23 C 5.7335 -0.3513 -1.3032 C.2 1 UNL1 0.3366 24 C 6.4298 -1.0024 1.0697 C.2 1 UNL1 -0.2372 25 C 6.4791 -1.3138 -0.3732 C.2 1 UNL1 0.3344 26 H -3.7279 1.9881 -1.7869 H 1 UNL1 0.3350 27 H -6.2305 1.4384 -1.5714 H 1 UNL1 0.2068 28 H -3.1153 -2.0917 1.1483 H 1 UNL1 0.1745 29 H -3.0563 -2.1507 -0.6537 H 1 UNL1 0.1503 30 H -4.5322 -2.6228 0.2337 H 1 UNL1 0.1835 31 H -1.7090 2.7842 -0.4222 H 1 UNL1 0.3029 32 H 2.2721 -0.0400 -0.0474 H 1 UNL1 0.2890 33 H 4.1555 2.3664 1.9462 H 1 UNL1 0.2012 34 H 4.1434 1.1391 -1.3477 H 1 UNL1 0.1901 35 H 5.5156 0.1321 2.6249 H 1 UNL1 0.1713 36 H 7.1080 -1.5801 1.6995 H 1 UNL1 0.1850 @BOND 1 4 23 2 2 26 7 1 3 27 16 1 4 34 21 1 5 23 21 1 6 23 25 1 7 7 16 ar 8 7 13 ar 9 16 14 ar 10 5 25 2 11 21 19 2 12 29 17 1 13 8 31 1 14 8 10 ar 15 8 15 ar 16 2 9 2 17 25 24 1 18 10 18 ar 19 13 15 2 20 13 6 ar 21 14 9 1 22 14 6 ar 23 32 11 1 24 15 1 ar 25 9 3 2 26 17 6 1 27 17 30 1 28 17 28 1 29 18 11 1 30 18 1 ar 31 19 20 1 32 19 22 1 33 11 12 1 34 24 22 2 35 24 36 1 36 12 20 2 37 20 33 1 38 22 35 1