@MOLECULE 8-chloro-10-[3-(dimethylamino)propyl]-3h-phenothiazine-2,3(10h)-dione 40 42 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL 4.2200 -2.1863 -0.3519 Cl 1 UNL1 -0.0658 2 S -1.9232 -2.5897 0.4176 S.2 1 UNL1 0.1832 3 O -4.1689 2.6681 0.3668 O.2 1 UNL1 -0.3629 4 O -5.1979 0.7403 -1.4239 O.2 1 UNL1 -0.3324 5 N -0.2717 -0.0243 0.6933 N.ar 1 UNL1 -0.3907 6 N 2.6817 3.7742 -0.3883 N.3 1 UNL1 -0.3825 7 C 0.4997 1.1134 1.2390 C.3 1 UNL1 -0.0819 8 C 1.0565 2.0289 0.1393 C.3 1 UNL1 -0.3160 9 C -1.6083 0.1887 0.3566 C.ar 1 UNL1 0.2831 10 C 0.4457 -1.1817 0.3399 C.ar 1 UNL1 0.2416 11 C 2.2120 2.8808 0.6991 C.3 1 UNL1 -0.1136 12 C -2.4697 -0.9657 0.0357 C.ar 1 UNL1 -0.1018 13 C -0.1941 -2.4266 0.1977 C.ar 1 UNL1 -0.2347 14 C -2.1666 1.4310 0.3793 C.ar 1 UNL1 -0.4437 15 C 1.8425 -1.1237 0.1575 C.ar 1 UNL1 -0.2804 16 C -3.7094 -0.8084 -0.4540 C.ar 1 UNL1 -0.2394 17 C 0.5293 -3.5801 -0.1034 C.ar 1 UNL1 -0.0585 18 C 3.2641 5.0162 0.1622 C.3 1 UNL1 -0.2832 19 C 3.6586 3.0863 -1.2587 C.3 1 UNL1 -0.2820 20 C -3.5704 1.6664 0.0707 C.ar 1 UNL1 0.3846 21 C 2.5288 -2.2888 -0.1349 C.ar 1 UNL1 0.0857 22 C -4.2726 0.5382 -0.6846 C.ar 1 UNL1 0.3385 23 C 1.9098 -3.5255 -0.2665 C.ar 1 UNL1 -0.2207 24 H -0.1558 1.6880 1.9380 H 1 UNL1 0.1649 25 H 1.3171 0.7103 1.8825 H 1 UNL1 0.1519 26 H 1.3935 1.4454 -0.7383 H 1 UNL1 0.1590 27 H 0.2703 2.6974 -0.2697 H 1 UNL1 0.1773 28 H 3.0169 2.2338 1.1060 H 1 UNL1 0.1150 29 H 1.8370 3.4944 1.5471 H 1 UNL1 0.1372 30 H -1.6161 2.3356 0.6331 H 1 UNL1 0.2000 31 H 2.3844 -0.1800 0.2294 H 1 UNL1 0.1928 32 H -4.3719 -1.6354 -0.7241 H 1 UNL1 0.1944 33 H 0.0225 -4.5444 -0.2167 H 1 UNL1 0.1727 34 H 4.1343 4.8648 0.8164 H 1 UNL1 0.1173 35 H 3.5667 5.6708 -0.6726 H 1 UNL1 0.1481 36 H 2.4867 5.5587 0.7262 H 1 UNL1 0.1472 37 H 3.1906 2.1872 -1.6931 H 1 UNL1 0.1476 38 H 4.5895 2.7864 -0.7554 H 1 UNL1 0.1190 39 H 3.9160 3.7516 -2.1002 H 1 UNL1 0.1474 40 H 2.4785 -4.4257 -0.4959 H 1 UNL1 0.1817 @BOND 1 39 19 1 2 37 19 1 3 4 22 2 4 19 38 1 5 19 6 1 6 26 8 1 7 32 16 1 8 22 16 ar 9 22 20 ar 10 35 18 1 11 40 23 1 12 16 12 ar 13 6 18 1 14 6 11 1 15 1 21 1 16 27 8 1 17 23 21 ar 18 23 17 ar 19 33 17 1 20 21 15 ar 21 17 13 ar 22 12 9 1 23 12 2 ar 24 20 3 2 25 20 14 ar 26 8 11 1 27 8 7 1 28 15 31 1 29 15 10 ar 30 18 36 1 31 18 34 1 32 13 10 ar 33 13 2 ar 34 10 5 ar 35 9 14 ar 36 9 5 ar 37 14 30 1 38 5 7 1 39 11 28 1 40 11 29 1 41 7 25 1 42 7 24 1