@MOLECULE n-[(1-{[2-(diethylamino)ethyl]amino}-7-methoxy-9-oxo-9h-thioxanthen-4-yl)methyl]formamide 56 58 0 0 0 SMALL GASTEIGER @ATOM 1 S -3.0828 1.1049 -0.1911 S.2 1 UNL1111111111 0.0920 2 O 0.0669 -1.8504 0.4834 O.2 1 UNL1111111111 -0.5350 3 O -3.7516 -4.7165 0.0605 O.3 1 UNL1111111111 -0.3027 4 O -0.7433 6.0686 0.4159 O.2 1 UNL1111111111 -0.5461 5 N 5.6428 -0.7758 0.3055 N.3 1 UNL1111111111 -0.4326 6 N 1.9557 -0.1586 0.1731 N.pl3 1 UNL1111111111 -0.4934 7 N -2.3698 4.4973 0.5267 N.am 1 UNL1111111111 -0.5920 8 C 4.2021 -1.1262 0.3590 C.3 1 UNL1111111111 -0.1391 9 C 3.3839 0.1708 0.1325 C.3 1 UNL1111111111 -0.0817 10 C -0.4034 0.3907 -0.0293 C.ar 1 UNL1111111111 -0.3700 11 C 0.9836 0.7644 -0.0367 C.ar 1 UNL1111111111 0.3670 12 C -1.3487 1.4101 -0.2447 C.ar 1 UNL1111111111 0.0674 13 C -0.9920 2.7288 -0.4798 C.ar 1 UNL1111111111 -0.2093 14 C 6.4518 -1.7559 1.0598 C.3 1 UNL1111111111 -0.0875 15 C 6.0872 -0.5838 -1.0986 C.3 1 UNL1111111111 -0.0875 16 C -0.7707 -1.0041 0.1941 C.ar 1 UNL1111111111 0.5126 17 C 1.3429 2.1256 -0.2677 C.ar 1 UNL1111111111 -0.3538 18 C -2.1742 -1.4860 0.0547 C.ar 1 UNL1111111111 -0.0889 19 C 0.3751 3.0722 -0.4712 C.ar 1 UNL1111111111 0.0111 20 C -3.2613 -0.6322 -0.1358 C.ar 1 UNL1111111111 -0.1249 21 C -1.9440 3.8696 -0.7317 C.3 1 UNL1111111111 -0.0525 22 C 6.4493 -3.1906 0.5167 C.3 1 UNL1111111111 -0.4863 23 C 7.5483 -0.1296 -1.1683 C.3 1 UNL1111111111 -0.4526 24 C -2.3866 -2.8617 0.1183 C.ar 1 UNL1111111111 -0.1642 25 C -4.5518 -1.1413 -0.2795 C.ar 1 UNL1111111111 -0.0978 26 C -3.6908 -3.3624 -0.0196 C.ar 1 UNL1111111111 0.2191 27 C -4.7785 -2.5127 -0.2213 C.ar 1 UNL1111111111 -0.2577 28 C -1.6566 5.5616 1.0393 C.2 1 UNL1111111111 0.4719 29 C -5.0287 -5.3284 -0.0459 C.3 1 UNL1111111111 -0.2033 30 H 3.9636 -1.5361 1.3692 H 1 UNL1111111111 0.1518 31 H 3.9080 -1.9022 -0.3759 H 1 UNL1111111111 0.1291 32 H 3.6421 0.6268 -0.8498 H 1 UNL1111111111 0.1460 33 H 3.6447 0.9207 0.9163 H 1 UNL1111111111 0.1610 34 H 1.6897 -1.1278 0.3845 H 1 UNL1111111111 0.3569 35 H 6.0859 -1.7476 2.1129 H 1 UNL1111111111 0.1392 36 H 7.4940 -1.3678 1.1058 H 1 UNL1111111111 0.1409 37 H 5.4474 0.2138 -1.5423 H 1 UNL1111111111 0.1359 38 H 5.9398 -1.4919 -1.7212 H 1 UNL1111111111 0.1140 39 H 2.3890 2.4184 -0.2719 H 1 UNL1111111111 0.1716 40 H 0.6494 4.1240 -0.6193 H 1 UNL1111111111 0.1708 41 H -1.4479 4.6487 -1.3665 H 1 UNL1111111111 0.1696 42 H -2.8469 3.5700 -1.3109 H 1 UNL1111111111 0.1506 43 H 5.4298 -3.5858 0.4251 H 1 UNL1111111111 0.1511 44 H 6.9159 -3.2488 -0.4719 H 1 UNL1111111111 0.1478 45 H 7.0029 -3.8627 1.1817 H 1 UNL1111111111 0.1491 46 H 7.7981 0.2236 -2.1732 H 1 UNL1111111111 0.1440 47 H 8.2444 -0.9401 -0.9213 H 1 UNL1111111111 0.1439 48 H 7.7390 0.6954 -0.4689 H 1 UNL1111111111 0.1604 49 H -1.5512 -3.5503 0.2767 H 1 UNL1111111111 0.2010 50 H -5.4087 -0.4835 -0.4436 H 1 UNL1111111111 0.1619 51 H -5.7854 -2.9007 -0.3363 H 1 UNL1111111111 0.1637 52 H -3.0424 3.9937 1.0785 H 1 UNL1111111111 0.3105 53 H -1.9968 5.9398 2.0141 H 1 UNL1111111111 0.1237 54 H -4.7770 -6.3922 0.0721 H 1 UNL1111111111 0.1558 55 H -5.4712 -5.1484 -1.0317 H 1 UNL1111111111 0.1339 56 H -5.6952 -5.0032 0.7596 H 1 UNL1111111111 0.1340 @BOND 1 1 12 ar 2 1 20 ar 3 2 16 2 4 3 26 1 5 3 29 1 6 4 28 2 7 5 8 1 8 5 14 1 9 5 15 1 10 6 9 1 11 6 11 1 12 6 34 1 13 7 21 1 14 7 28 am 15 7 52 1 16 8 9 1 17 8 30 1 18 8 31 1 19 9 32 1 20 9 33 1 21 10 11 ar 22 10 12 ar 23 10 16 ar 24 11 17 ar 25 12 13 ar 26 13 19 ar 27 13 21 1 28 14 22 1 29 14 35 1 30 14 36 1 31 15 23 1 32 15 37 1 33 15 38 1 34 16 18 ar 35 17 19 ar 36 17 39 1 37 18 20 ar 38 18 24 ar 39 19 40 1 40 20 25 ar 41 21 41 1 42 21 42 1 43 22 43 1 44 22 44 1 45 22 45 1 46 23 46 1 47 23 47 1 48 23 48 1 49 24 26 ar 50 24 49 1 51 25 27 ar 52 25 50 1 53 26 27 ar 54 27 51 1 55 28 53 1 56 29 54 1 57 29 55 1 58 29 56 1