@MOLECULE 1-{6-[(4,5-diphenyl-1h-imidazol-2-yl)sulfinyl]hexyl}-3,5-dimethyl-1h-pyrazole 32 36 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 2.1550 1.6581 -0.4717 C.ar 1 UNL1 -0.3100 2 N 2.1774 0.4152 -1.0972 N.ar 1 UNL1 -0.3348 3 N 3.2271 1.8754 0.3804 N.ar 1 UNL1 -0.3097 4 C 3.2952 -0.1770 -0.6290 C.ar 1 UNL1 0.0472 5 C 3.9512 0.7382 0.3099 C.ar 1 UNL1 0.0381 6 N -8.7001 0.1900 -0.0039 N.ar 1 UNL1 -0.3047 7 N -7.5778 -0.4402 0.2628 N.ar 1 UNL1 0.3594 8 C -7.8068 -1.7477 0.8250 C.ar 1 UNL1 -0.6845 9 C -9.2720 -1.9398 0.9207 C.ar 1 UNL1 0.2256 10 S 0.9342 2.7277 -0.7283 S.O 1 UNL1 2.1231 11 C -9.7675 -0.6839 0.3837 C.ar 1 UNL1 -0.5926 12 C 3.8344 -1.4589 -0.9212 C.ar 1 UNL1 0.0441 13 C 5.1437 0.3755 0.9921 C.ar 1 UNL1 0.0502 14 O 1.3246 4.0664 -1.0099 O.2 1 UNL1 -0.7206 15 C -6.3887 0.0280 0.0662 C.1 1 UNL1 -0.2221 16 C -7.0578 -2.7637 1.2614 C.3 1 UNL1 0.6581 17 C -0.4582 2.2800 -0.6467 C.1 1 UNL1 -0.8401 18 C -11.0712 -0.3960 0.2702 C.3 1 UNL1 0.6272 19 C 5.7031 -0.9603 0.7106 C.ar 1 UNL1 0.0191 20 C 5.8852 1.0879 1.9100 C.ar 1 UNL1 -0.0448 21 C 5.0726 -1.8457 -0.2195 C.ar 1 UNL1 0.0249 22 C 3.3740 -2.4323 -1.7816 C.ar 1 UNL1 -0.0472 23 C -5.2304 0.4943 -0.1145 C.1 1 UNL1 0.0641 24 C -1.6628 1.8500 -0.5485 C.1 1 UNL1 0.3889 25 C -2.8550 1.4072 -0.4246 C.1 1 UNL1 -0.2201 26 C -4.0391 0.9530 -0.2808 C.1 1 UNL1 0.0754 27 C 6.9497 0.7551 2.5253 C.ar 1 UNL1 -0.0021 28 C 5.5077 -3.1089 -0.5738 C.ar 1 UNL1 -0.0609 29 C 3.8607 -3.5806 -2.0398 C.ar 1 UNL1 -0.0067 30 C 6.8546 -1.2148 1.4312 C.ar 1 UNL1 -0.0617 31 C 4.9897 -3.9300 -1.3967 C.ar 1 UNL1 0.0086 32 C 7.4549 -0.4646 2.2658 C.ar 1 UNL1 0.0088 @BOND 1 29 22 ar 2 29 31 ar 3 22 12 ar 4 31 28 ar 5 2 4 ar 6 2 1 ar 7 14 10 2 8 12 4 ar 9 12 21 ar 10 10 17 1 11 10 1 1 12 17 24 3 13 4 5 ar 14 28 21 ar 15 24 25 1 16 1 3 ar 17 25 26 3 18 26 23 1 19 21 19 ar 20 23 15 3 21 6 7 ar 22 6 11 ar 23 15 7 1 24 7 8 ar 25 18 11 1 26 5 3 ar 27 5 13 ar 28 11 9 ar 29 19 13 ar 30 19 30 ar 31 8 9 ar 32 8 16 1 33 13 20 ar 34 30 32 ar 35 20 27 ar 36 32 27 ar