@MOLECULE 5-{(3r)-3-[bis(2-chloroethyl)amino]-4-carboxybutyl}-4-methyl-3-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)methyl]-1,3-thiazol-3-ium 29 29 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL 1.3238 2.4825 -1.6889 Cl 1 UNL1 0.1644 2 CL 7.8229 -0.4318 -1.6062 Cl 1 UNL1 0.1425 3 S 0.3038 -3.5756 0.4011 S.3 1 UNL1 -0.0629 4 O 0.2904 1.8664 2.5308 O.2 1 UNL1 -0.3516 5 O -0.5458 2.9696 0.6489 O.2 1 UNL1 -0.3098 6 O -6.4871 2.3169 1.3220 O.2 1 UNL1 -0.2731 7 N 4.4816 0.8797 0.4987 N.pl3 1 UNL1 -0.1137 8 N -1.7107 -2.1264 0.0505 N.pl3 1 UNL1 -0.4089 9 N -7.2173 1.1587 -0.6311 N.2 1 UNL1 -0.5005 10 N -6.3155 -1.1141 -1.0503 N.2 1 UNL1 -0.3024 11 C 4.0018 -0.0339 1.5304 C.2 1 UNL1 -0.3808 12 C 2.8232 -0.7490 1.2996 C.1 1 UNL1 0.0290 13 C 1.7638 -1.2885 1.0343 C.1 1 UNL1 -0.1160 14 C 4.6367 -0.0905 2.7155 C.2 1 UNL1 0.5545 15 C 3.4636 1.3819 -0.2623 C.1 1 UNL1 0.0343 16 C 5.5231 0.3767 -0.2270 C.1 1 UNL1 0.0325 17 C 0.5428 -1.8359 0.6871 C.2 1 UNL1 0.0513 18 C -0.6326 -1.2097 0.4666 C.2 1 UNL1 -0.2255 19 C 2.5424 1.8635 -0.8863 C.1 1 UNL1 -0.1807 20 C 6.5179 0.0248 -0.8251 C.1 1 UNL1 -0.1806 21 C -0.1346 2.4107 1.5866 C.1 1 UNL1 0.6616 22 C -2.6506 -1.0210 -0.0290 C.3 1 UNL1 0.1147 23 C -1.4866 -3.4286 -0.0529 C.3 1 UNL1 0.2885 24 C -1.5230 -0.0285 0.4328 C.3 1 UNL1 0.3808 25 C -3.9005 -0.9953 -0.3772 C.1 1 UNL1 -0.2674 26 C -6.8254 1.6138 0.4532 C.1 1 UNL1 0.5654 27 C -5.1345 -0.9730 -0.7166 C.1 1 UNL1 0.2589 28 C -7.3273 -0.1522 -1.1045 C.2 1 UNL1 -0.1608 29 C -8.4785 -0.5003 -1.7457 C.3 1 UNL1 0.5561 @BOND 1 29 28 1 2 1 19 1 3 2 20 1 4 28 10 2 5 28 9 1 6 10 27 1 7 19 15 3 8 20 16 3 9 27 25 3 10 9 26 2 11 25 22 1 12 15 7 1 13 16 7 1 14 23 8 1 15 23 3 1 16 22 8 1 17 22 24 1 18 8 18 1 19 3 17 1 20 24 18 1 21 26 6 2 22 18 17 2 23 7 11 1 24 5 21 2 25 17 13 1 26 13 12 3 27 12 11 1 28 11 14 2 29 21 4 2