@MOLECULE 4,5,6,7-tetrachloro-2-methyl-2-(2-(trimethylammonio)ethyl)isoindolinium 40 39 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL 1.5815 3.1160 0.0506 Cl 1 UNL1 -0.0072 2 CL 1.2928 -3.0455 0.4035 Cl 1 UNL1 -0.0081 3 CL -0.6092 1.7698 1.8116 Cl 1 UNL1 0.0224 4 CL -0.7435 -1.3114 1.9994 Cl 1 UNL1 0.0226 5 N 4.2672 -0.2079 -1.7393 N.3 1 UNL1 -0.3789 6 N -5.6952 0.0949 -0.7737 N.3 2 UNL2 -0.3621 7 C -1.5747 -0.9595 -1.2587 C.2 1 UNL1 -0.3068 8 C 3.5173 1.0505 -1.4192 C.3 1 UNL1 -0.1146 9 C 3.4142 -1.3494 -1.2717 C.3 1 UNL1 -0.1146 10 C -2.0673 0.1869 -0.7985 C.2 1 UNL1 -0.2768 11 C 2.3980 0.6545 -0.5023 C.ar 1 UNL1 -0.0460 12 C 2.3359 -0.7498 -0.4182 C.ar 1 UNL1 -0.0441 13 C 5.5924 -0.2241 -1.0912 C.3 1 UNL1 -0.2880 14 C -5.3659 1.0253 -1.8754 C.3 2 UNL2 -0.2891 15 C -5.3408 -1.2918 -1.1463 C.3 2 UNL2 -0.2921 16 C -7.1317 0.1849 -0.4334 C.3 2 UNL2 -0.2862 17 C 1.4945 1.4307 0.1918 C.ar 1 UNL1 -0.0369 18 C 1.3688 -1.3545 0.3561 C.ar 1 UNL1 -0.0382 19 C 0.5184 0.8182 0.9828 C.ar 1 UNL1 -0.0387 20 C 0.4569 -0.5679 1.0663 C.ar 1 UNL1 -0.0288 21 H -1.8756 -1.9297 -0.8912 H 1 UNL1 0.1451 22 H -0.8307 -1.0230 -2.0376 H 1 UNL1 0.1383 23 H 3.1224 1.4428 -2.3877 H 1 UNL1 0.1759 24 H 4.1659 1.8412 -0.9941 H 1 UNL1 0.1586 25 H 3.9947 -2.1331 -0.7465 H 1 UNL1 0.1586 26 H 2.9849 -1.8246 -2.1870 H 1 UNL1 0.1757 27 H -1.7661 1.1589 -1.1598 H 1 UNL1 0.1393 28 H -2.8217 0.2478 -0.0214 H 1 UNL1 0.1644 29 H 5.5705 -0.1527 0.0066 H 1 UNL1 0.1286 30 H 6.1167 -1.1533 -1.3732 H 1 UNL1 0.1501 31 H 6.1923 0.6134 -1.4865 H 1 UNL1 0.1502 32 H -5.8885 0.8207 -2.8204 H 2 UNL2 0.1169 33 H -5.6029 2.0543 -1.5595 H 2 UNL2 0.1435 34 H -4.2786 0.9842 -2.0619 H 2 UNL2 0.1495 35 H -4.2606 -1.3373 -1.3713 H 2 UNL2 0.1530 36 H -5.5196 -1.9498 -0.2803 H 2 UNL2 0.1442 37 H -5.8923 -1.6905 -2.0092 H 2 UNL2 0.1163 38 H -7.3414 -0.4867 0.4150 H 2 UNL2 0.1438 39 H -7.3557 1.2111 -0.0990 H 2 UNL2 0.1438 40 H -7.8147 -0.0704 -1.2561 H 2 UNL2 0.1167 @BOND 1 32 14 1 2 23 8 1 3 26 9 1 4 34 14 1 5 22 7 1 6 37 15 1 7 14 33 1 8 14 6 1 9 5 8 1 10 5 9 1 11 5 13 1 12 31 13 1 13 8 24 1 14 8 11 1 15 30 13 1 16 35 15 1 17 9 25 1 18 9 12 1 19 7 21 1 20 7 10 2 21 40 16 1 22 27 10 1 23 15 6 1 24 15 36 1 25 13 29 1 26 10 28 1 27 6 16 1 28 11 12 ar 29 11 17 ar 30 16 39 1 31 16 38 1 32 12 18 ar 33 1 17 1 34 17 19 ar 35 18 2 1 36 18 20 ar 37 19 20 ar 38 19 3 1 39 20 4 1