@MOLECULE 3,3-dichloro-n-acetylbenzidine 33 34 0 0 0 SMALL USER_CHARGES @ATOM 1 CL -2.1209 -1.9412 1.1903 Cl 1 UNL111111111 -0.1468 2 CL -1.1690 -1.7767 -1.5052 Cl 1 UNL111111111 -0.1536 3 O -3.6282 2.4719 0.4404 O.2 1 UNL111111111 -0.5008 4 N -3.3198 0.3214 -0.2326 N.am 1 UNL111111111 -0.5711 5 N 6.5728 0.3102 0.1555 N.pl3 1 UNL111111111 -0.6327 6 C 0.2100 -0.7895 0.5953 C.3 1 UNL111111111 -0.3251 7 C -1.2002 -0.9127 0.0609 C.3 1 UNL111111111 0.1729 8 C 0.9312 0.3961 0.0273 C.2 1 UNL111111111 0.0386 9 C -1.9125 0.3761 -0.2031 C.2 1 UNL111111111 0.0828 10 C 2.3916 0.3416 0.0653 C.ar 1 UNL111111111 -0.1349 11 C 0.2556 1.4581 -0.4510 C.2 1 UNL111111111 -0.1890 12 C -1.1897 1.4892 -0.4687 C.2 1 UNL111111111 -0.1359 13 C 3.1209 0.4201 -1.1258 C.ar 1 UNL111111111 -0.0455 14 C 3.0672 0.2234 1.2840 C.ar 1 UNL111111111 -0.0535 15 C 4.5077 0.3809 -1.1108 C.ar 1 UNL111111111 -0.3039 16 C 4.4531 0.1894 1.3219 C.ar 1 UNL111111111 -0.3022 17 C 5.1847 0.2742 0.1200 C.ar 1 UNL111111111 0.2760 18 C -4.1170 1.4108 0.1316 C.2 1 UNL111111111 0.6143 19 C -5.5933 1.1391 0.0958 C.3 1 UNL111111111 -0.5296 20 H 0.7909 -1.7245 0.4138 H 1 UNL111111111 0.1941 21 H 0.2003 -0.6824 1.7106 H 1 UNL111111111 0.1937 22 H 0.7734 2.3387 -0.8336 H 1 UNL111111111 0.1713 23 H -1.6695 2.4444 -0.7017 H 1 UNL111111111 0.1941 24 H -3.7503 -0.5656 -0.4708 H 1 UNL111111111 0.3243 25 H 2.5908 0.5077 -2.0753 H 1 UNL111111111 0.1568 26 H 2.5009 0.1683 2.2144 H 1 UNL111111111 0.1505 27 H 5.0671 0.4422 -2.0390 H 1 UNL111111111 0.1596 28 H 4.9721 0.1100 2.2710 H 1 UNL111111111 0.1584 29 H -5.8815 0.3262 0.7764 H 1 UNL111111111 0.1784 30 H -5.9414 0.8821 -0.9139 H 1 UNL111111111 0.1777 31 H -6.1495 2.0381 0.4118 H 1 UNL111111111 0.1905 32 H 7.0483 0.0599 0.9950 H 1 UNL111111111 0.2951 33 H 7.0881 0.1861 -0.6886 H 1 UNL111111111 0.2954 @BOND 1 31 19 1 2 3 18 2 3 19 30 1 4 19 18 1 5 19 29 1 6 23 12 1 7 18 4 am 8 22 11 1 9 12 11 1 10 12 9 2 11 4 9 1 12 4 24 1 13 11 8 2 14 9 7 1 15 8 10 1 16 8 6 1 17 25 13 1 18 7 6 1 19 7 2 1 20 7 1 1 21 10 13 ar 22 10 14 ar 23 13 15 ar 24 21 6 1 25 6 20 1 26 26 14 1 27 14 16 ar 28 15 27 1 29 15 17 ar 30 16 17 ar 31 16 28 1 32 17 5 1 33 5 33 1 34 5 32 1