@MOLECULE o-[2-(diethylamino)ethyl] 4-amino-2-(hexyloxy)benzenecarbothioate 56 56 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.6806 -2.1352 2.3504 S.2 1 UNL1111111111 -0.3549 2 O -0.9720 0.9525 0.7653 O.3 1 UNL1111111111 -0.3421 3 O -0.8481 -2.0278 0.6836 O.3 1 UNL1111111111 -0.2935 4 N 2.1068 -1.6964 -1.3542 N.3 1 UNL1111111111 -0.4374 5 N -4.6363 2.5234 -1.9666 N.pl3 1 UNL1111111111 -0.6272 6 C 2.0671 2.2219 0.7453 C.3 1 UNL1111111111 -0.2764 7 C 3.3700 1.7327 1.3883 C.3 1 UNL1111111111 -0.2720 8 C 0.8785 2.0002 1.6853 C.3 1 UNL1111111111 -0.2880 9 C 1.2989 -1.5463 -0.1248 C.3 1 UNL1111111111 -0.1401 10 C 4.5708 2.0396 0.4840 C.3 1 UNL1111111111 -0.2545 11 C -0.4505 2.2724 0.9797 C.3 1 UNL1111111111 -0.0351 12 C 3.3694 -2.4183 -1.1047 C.3 1 UNL1111111111 -0.0818 13 C 2.2954 -0.3971 -2.0407 C.3 1 UNL1111111111 -0.0883 14 C -0.1764 -1.7050 -0.5423 C.3 1 UNL1111111111 -0.0622 15 C 5.8650 1.5084 1.0993 C.3 1 UNL1111111111 -0.4404 16 C 4.3345 -1.7659 -0.1049 C.3 1 UNL1111111111 -0.4915 17 C 2.6912 -0.6339 -3.5044 C.3 1 UNL1111111111 -0.4462 18 C -2.1453 0.8227 0.1125 C.ar 1 UNL1111111111 0.3749 19 C -2.6664 -0.4870 0.1686 C.ar 1 UNL1111111111 -0.3458 20 C -2.0303 -1.5083 0.9891 C.2 1 UNL1111111111 0.3885 21 C -2.7868 1.8443 -0.5805 C.ar 1 UNL1111111111 -0.4755 22 C -3.8634 -0.7549 -0.5038 C.ar 1 UNL1111111111 0.0605 23 C -3.9857 1.5402 -1.2566 C.ar 1 UNL1111111111 0.3711 24 C -4.5184 0.2301 -1.2222 C.ar 1 UNL1111111111 -0.3860 25 H 1.8992 1.6920 -0.2123 H 1 UNL1111111111 0.1394 26 H 2.1524 3.2941 0.4865 H 1 UNL1111111111 0.1370 27 H 3.3126 0.6452 1.5850 H 1 UNL1111111111 0.1393 28 H 3.5122 2.2096 2.3764 H 1 UNL1111111111 0.1419 29 H 0.9738 2.6372 2.5844 H 1 UNL1111111111 0.1503 30 H 0.8795 0.9550 2.0713 H 1 UNL1111111111 0.1733 31 H 1.4521 -0.5799 0.3983 H 1 UNL1111111111 0.1336 32 H 1.5494 -2.3412 0.6137 H 1 UNL1111111111 0.1593 33 H 4.4191 1.5958 -0.5185 H 1 UNL1111111111 0.1299 34 H 4.6519 3.1309 0.3198 H 1 UNL1111111111 0.1355 35 H -0.3285 2.7857 0.0121 H 1 UNL1111111111 0.1288 36 H -1.1643 2.8252 1.6133 H 1 UNL1111111111 0.1317 37 H 3.0976 -3.4417 -0.7554 H 1 UNL1111111111 0.1417 38 H 3.8784 -2.5570 -2.0845 H 1 UNL1111111111 0.1374 39 H 1.3283 0.1542 -2.0123 H 1 UNL1111111111 0.1340 40 H 3.0500 0.2464 -1.5399 H 1 UNL1111111111 0.1114 41 H -0.5750 -0.8106 -1.0394 H 1 UNL1111111111 0.1391 42 H -0.3299 -2.5904 -1.1878 H 1 UNL1111111111 0.1553 43 H 6.0643 1.9697 2.0734 H 1 UNL1111111111 0.1447 44 H 5.8230 0.4244 1.2537 H 1 UNL1111111111 0.1439 45 H 6.7266 1.7166 0.4554 H 1 UNL1111111111 0.1414 46 H 4.6516 -0.7726 -0.4413 H 1 UNL1111111111 0.1492 47 H 3.8763 -1.6501 0.8829 H 1 UNL1111111111 0.1499 48 H 5.2368 -2.3733 0.0197 H 1 UNL1111111111 0.1482 49 H 3.7272 -0.9732 -3.5984 H 1 UNL1111111111 0.1410 50 H 2.0528 -1.4048 -3.9574 H 1 UNL1111111111 0.1620 51 H 2.5831 0.2828 -4.0916 H 1 UNL1111111111 0.1388 52 H -2.3888 2.8477 -0.6069 H 1 UNL1111111111 0.1705 53 H -4.2888 -1.7631 -0.4592 H 1 UNL1111111111 0.1621 54 H -5.4397 0.0040 -1.7456 H 1 UNL1111111111 0.1655 55 H -4.3041 3.4602 -1.9738 H 1 UNL1111111111 0.3026 56 H -5.5033 2.3423 -2.4189 H 1 UNL1111111111 0.3049 @BOND 1 1 20 2 2 2 11 1 3 2 18 1 4 3 14 1 5 3 20 1 6 4 9 1 7 4 12 1 8 4 13 1 9 5 23 1 10 5 55 1 11 5 56 1 12 6 7 1 13 6 8 1 14 6 25 1 15 6 26 1 16 7 10 1 17 7 27 1 18 7 28 1 19 8 11 1 20 8 29 1 21 8 30 1 22 9 14 1 23 9 31 1 24 9 32 1 25 10 15 1 26 10 33 1 27 10 34 1 28 11 35 1 29 11 36 1 30 12 16 1 31 12 37 1 32 12 38 1 33 13 17 1 34 13 39 1 35 13 40 1 36 14 41 1 37 14 42 1 38 15 43 1 39 15 44 1 40 15 45 1 41 16 46 1 42 16 47 1 43 16 48 1 44 17 49 1 45 17 50 1 46 17 51 1 47 18 19 ar 48 18 21 ar 49 19 20 1 50 19 22 ar 51 21 23 ar 52 21 52 1 53 22 24 ar 54 22 53 1 55 23 24 ar 56 24 54 1