@MOLECULE guanoxabenz [usan:inn] 23 23 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL 1.1774 -2.6791 0.1958 Cl 1 UNL1 -0.0478 2 CL 1.1667 2.6338 0.4143 Cl 1 UNL1 -0.0460 3 O -4.7663 -0.2050 1.1873 O.3 1 UNL1 -0.2986 4 N -1.0191 -0.0149 -0.1666 N.2 1 UNL1 -0.1993 5 N -2.3056 -0.0650 0.3069 N.pl3 1 UNL1 -0.4454 6 N -4.6058 -0.1986 -0.2054 N.4 1 UNL1 -0.3048 7 N -3.1168 0.5385 -1.9115 N.pl3 1 UNL1 -0.6284 8 C 1.3044 -0.0206 0.2756 C.ar 1 UNL1 -0.0669 9 C 1.9968 -1.1984 0.0062 C.ar 1 UNL1 0.0341 10 C 1.9923 1.1781 0.1051 C.ar 1 UNL1 0.0332 11 C 3.3226 -1.2005 -0.4090 C.ar 1 UNL1 -0.1760 12 C 3.3181 1.2204 -0.3064 C.ar 1 UNL1 -0.1759 13 C 3.9812 0.0200 -0.5633 C.ar 1 UNL1 -0.1046 14 C -0.0939 -0.0423 0.7378 C.2 1 UNL1 0.0207 15 C -3.2579 0.1124 -0.5932 C.2 1 UNL1 0.4819 16 H 3.8437 -2.1362 -0.6144 H 1 UNL1 0.1769 17 H 3.8361 2.1718 -0.4316 H 1 UNL1 0.1769 18 H 5.0218 0.0353 -0.8881 H 1 UNL1 0.1611 19 H -0.2431 -0.0799 1.8266 H 1 UNL1 0.1797 20 H -5.2970 0.5045 -0.4849 H 1 UNL1 0.2858 21 H -3.8195 0.3042 -2.5860 H 1 UNL1 0.2987 22 H -2.1721 0.5491 -2.2760 H 1 UNL1 0.3231 23 H -4.1550 -0.9382 1.5186 H 1 UNL1 0.3215 @BOND 1 21 7 1 2 22 7 1 3 7 15 1 4 18 13 1 5 16 11 1 6 15 6 1 7 15 5 2 8 13 11 ar 9 13 12 ar 10 20 6 1 11 17 12 1 12 11 9 ar 13 12 10 ar 14 6 3 1 15 4 5 1 16 4 14 2 17 9 1 1 18 9 8 ar 19 10 8 ar 20 10 2 1 21 8 14 1 22 14 19 1 23 3 23 1