@MOLECULE palatrigine 20 22 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL -1.6842 1.6125 -0.4056 Cl 1 UNL1 0.7285 2 CL -4.4704 0.3661 -0.1438 Cl 1 UNL1 -0.0638 3 N 3.0108 -0.5656 0.1812 N.pl3 1 UNL1 -0.0963 4 N 1.7086 -1.0884 0.1181 N.2 1 UNL1 -0.2922 5 N 2.1095 1.7185 0.4317 N.2 1 UNL1 -0.5540 6 N -0.0543 2.1308 -0.1209 N.2 1 UNL1 -0.4544 7 N 4.3549 1.1032 1.0606 N.pl3 1 UNL1 -0.5975 8 C 3.8618 -0.9982 -0.9238 C.2 1 UNL1 -0.8444 9 C 4.0997 -1.5938 0.3956 C.3 1 UNL1 0.7448 10 C 4.1893 -0.9326 -2.1955 C.2 1 UNL1 0.6570 11 C 0.6849 -0.2655 0.1288 C.2 1 UNL1 0.1762 12 C 3.1779 0.9031 0.6130 C.cat 1 UNL1 0.4938 13 C -0.6235 -0.8110 0.1581 C.ar 1 UNL1 -0.2030 14 C 0.8851 1.2388 0.1386 C.2 1 UNL1 0.3414 15 C -1.8385 -0.0605 -0.0152 C.ar 1 UNL1 -0.1709 16 C -0.9734 -2.1293 0.3849 C.ar 1 UNL1 -0.0257 17 C -3.0944 -0.6150 0.0725 C.ar 1 UNL1 -0.1189 18 C -2.1550 -2.5625 0.4509 C.ar 1 UNL1 -0.1311 19 C -3.4157 -2.0277 0.3444 C.ar 1 UNL1 0.0799 20 H 4.6429 1.9926 1.4410 H 1 UNL1 0.3306 @BOND 1 10 8 2 2 8 3 1 3 8 9 1 4 1 15 1 5 2 17 1 6 6 14 2 7 15 17 ar 8 15 13 ar 9 17 19 ar 10 4 11 2 11 4 3 1 12 11 14 1 13 11 13 1 14 14 5 1 15 13 16 ar 16 3 9 1 17 3 12 1 18 19 18 ar 19 16 18 ar 20 5 12 2 21 12 7 1 22 7 20 1