@MOLECULE (10-methyl-9-anthryl)methyl carbamimidothioate 36 38 0 0 0 SMALL GASTEIGER @ATOM 1 S 2.4251 -0.0475 -0.7059 S.3 1 UNL111111111 0.0451 2 N 5.0799 -0.0844 -1.1278 N.pl3 1 UNL111111111 -0.6998 3 N 4.3421 0.0500 1.1467 N.2 1 UNL111111111 -0.6735 4 C 0.0427 -0.0095 0.4920 C.ar 1 UNL111111111 -0.0557 5 C -0.6525 -1.2176 0.3103 C.ar 1 UNL111111111 0.0122 6 C -0.6159 1.2183 0.3037 C.ar 1 UNL111111111 0.0129 7 C -2.0349 -1.1971 -0.0337 C.ar 1 UNL111111111 -0.0481 8 C -1.9991 1.2366 -0.0379 C.ar 1 UNL111111111 -0.0484 9 C -2.7061 0.0295 -0.1671 C.ar 1 UNL111111111 0.0366 10 C 1.4785 -0.0294 0.8761 C.3 1 UNL111111111 -0.3002 11 C -0.0087 -2.4941 0.4568 C.ar 1 UNL111111111 -0.1478 12 C 0.0653 2.4757 0.4436 C.ar 1 UNL111111111 -0.1470 13 C -2.7064 -2.4483 -0.2480 C.ar 1 UNL111111111 -0.1378 14 C -2.6349 2.5060 -0.2535 C.ar 1 UNL111111111 -0.1382 15 C -4.1713 0.0528 -0.4569 C.3 1 UNL111111111 -0.4530 16 C -0.6815 -3.6605 0.2549 C.ar 1 UNL111111111 -0.1418 17 C -0.5739 3.6605 0.2391 C.ar 1 UNL111111111 -0.1420 18 C -2.0585 -3.6380 -0.1117 C.ar 1 UNL111111111 -0.1588 19 C -1.9519 3.6767 -0.1232 C.ar 1 UNL111111111 -0.1588 20 C 4.1305 -0.0120 -0.1185 C.2 1 UNL111111111 0.3677 21 H 1.7851 0.8384 1.4985 H 1 UNL111111111 0.1895 22 H 1.7603 -0.9022 1.5019 H 1 UNL111111111 0.1863 23 H 1.0466 -2.5214 0.7312 H 1 UNL111111111 0.1625 24 H 1.1215 2.4732 0.7160 H 1 UNL111111111 0.1627 25 H -3.7570 -2.4315 -0.5366 H 1 UNL111111111 0.1511 26 H -3.6864 2.5190 -0.5383 H 1 UNL111111111 0.1511 27 H -4.3537 0.0798 -1.5425 H 1 UNL111111111 0.1660 28 H -4.6989 -0.8238 -0.0540 H 1 UNL111111111 0.1609 29 H -4.6760 0.9234 -0.0130 H 1 UNL111111111 0.1613 30 H -0.1875 -4.6237 0.3648 H 1 UNL111111111 0.1493 31 H -0.0516 4.6093 0.3440 H 1 UNL111111111 0.1492 32 H -2.5698 -4.5831 -0.2787 H 1 UNL111111111 0.1486 33 H -2.4362 4.6357 -0.2918 H 1 UNL111111111 0.1484 34 H 6.0500 0.0096 -0.9180 H 1 UNL111111111 0.2985 35 H 4.8388 -0.0650 -2.0954 H 1 UNL111111111 0.3138 36 H 5.2608 0.0688 1.5446 H 1 UNL111111111 0.2772 @BOND 1 1 10 1 2 1 20 1 3 2 20 1 4 2 34 1 5 2 35 1 6 3 20 2 7 3 36 1 8 4 5 ar 9 4 6 ar 10 4 10 1 11 5 7 ar 12 5 11 ar 13 6 8 ar 14 6 12 ar 15 7 9 ar 16 7 13 ar 17 8 9 ar 18 8 14 ar 19 9 15 1 20 10 21 1 21 10 22 1 22 11 16 ar 23 11 23 1 24 12 17 ar 25 12 24 1 26 13 18 ar 27 13 25 1 28 14 19 ar 29 14 26 1 30 15 27 1 31 15 28 1 32 15 29 1 33 16 18 ar 34 16 30 1 35 17 19 ar 36 17 31 1 37 18 32 1 38 19 33 1