@MOLECULE mitozolomide 23 24 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL 5.1450 -0.4809 -0.3870 Cl 1 UNL1 -0.1272 2 O 1.2975 2.1582 0.2614 O.2 1 UNL1 -0.4181 3 O -3.8122 -2.0124 -0.0501 O.2 1 UNL1 -0.4770 4 N -0.7200 1.0506 0.1010 N.ar 1 UNL1 -0.4264 5 N 1.2612 -0.1447 0.5085 N.ar 1 UNL1 -0.4250 6 N -0.6662 -1.3552 0.3407 N.ar 1 UNL1 -0.1086 7 N 0.5583 -1.3209 0.5113 N.ar 1 UNL1 0.1286 8 N -2.8824 1.4902 -0.2508 N.ar 1 UNL1 -0.3568 9 N -5.1401 -0.2189 -0.3982 N.am 1 UNL1 -0.6551 10 C -1.4186 -0.2030 0.1222 C.ar 1 UNL1 0.1276 11 C 2.7225 -0.2537 0.6862 C.3 1 UNL1 -0.0538 12 C 0.6855 1.1248 0.2875 C.ar 1 UNL1 0.6658 13 C -2.7560 0.1063 -0.0985 C.ar 1 UNL1 -0.0088 14 C -1.6803 2.0502 -0.1334 C.ar 1 UNL1 0.1827 15 C 3.4021 -0.3617 -0.6794 C.3 1 UNL1 -0.2170 16 C -3.9189 -0.8112 -0.1752 C.2 1 UNL1 0.6015 17 H 3.0827 0.6434 1.2509 H 1 UNL1 0.1812 18 H 2.9428 -1.1503 1.3206 H 1 UNL1 0.1855 19 H -1.4364 3.1038 -0.2009 H 1 UNL1 0.2191 20 H 3.2363 0.5272 -1.3117 H 1 UNL1 0.1703 21 H 3.0986 -1.2652 -1.2367 H 1 UNL1 0.1731 22 H -5.2330 0.7721 -0.5031 H 1 UNL1 0.3236 23 H -5.9642 -0.7799 -0.4614 H 1 UNL1 0.3148 @BOND 1 20 15 1 2 21 15 1 3 15 1 1 4 15 11 1 5 22 9 1 6 23 9 1 7 9 16 am 8 8 14 ar 9 8 13 ar 10 19 14 1 11 16 13 1 12 16 3 2 13 14 4 ar 14 13 10 ar 15 4 10 ar 16 4 12 ar 17 10 6 ar 18 2 12 2 19 12 5 ar 20 6 7 ar 21 5 7 ar 22 5 11 1 23 11 17 1 24 11 18 1