@MOLECULE 4-({3-chloro-4-[(1-methyl-1h-imidazol-2-yl)sulfanyl]phenyl}amino)-7-{3-[(2-hydroxyethyl)(methyl)amino]propoxy}-6-methoxy-3-quinolinecarbonitrile 67 70 0 0 0 SMALL GASTEIGER @ATOM 1 C -0.7184 -0.5543 -0.7966 C.ar 1 UNL1111111111 0.1656 2 C -1.9147 -1.0141 -0.1242 C.ar 1 UNL1111111111 0.2300 3 C -1.9370 -2.2504 0.4667 C.ar 1 UNL1111111111 -0.3235 4 C -0.7777 -3.0758 0.4302 C.ar 1 UNL1111111111 0.2410 5 C 0.4159 -2.6120 -0.1817 C.ar 1 UNL1111111111 -0.1661 6 C 0.3892 -1.3560 -0.8485 C.ar 1 UNL1111111111 -0.2423 7 N -0.8857 -4.3291 0.9918 N.ar 1 UNL1111111111 -0.4074 8 C 0.1570 -5.1332 0.9573 C.ar 1 UNL1111111111 0.1406 9 C 1.4204 -4.7506 0.4166 C.ar 1 UNL1111111111 -0.2919 10 C 1.5650 -3.4630 -0.1220 C.ar 1 UNL1111111111 0.3276 11 O -0.8481 0.6711 -1.3554 O.3 1 UNL1111111111 -0.2652 12 O -2.9304 -0.1305 -0.1730 O.3 1 UNL1111111111 -0.2816 13 C -4.1921 -0.5650 0.3620 C.3 1 UNL1111111111 -0.0581 14 C -5.1511 0.5326 -0.0933 C.3 1 UNL1111111111 -0.3023 15 C -6.5639 -0.0465 -0.2914 C.3 1 UNL1111111111 -0.1140 16 C 0.3492 1.2672 -1.8513 C.3 1 UNL1111111111 -0.2072 17 N 2.8064 -3.0867 -0.6324 N.pl3 1 UNL1111111111 -0.5064 18 C 3.3362 -1.7861 -0.5242 C.ar 1 UNL1111111111 0.2436 19 C 4.2925 -1.3834 -1.4740 C.ar 1 UNL1111111111 -0.2445 20 C 4.7909 -0.0874 -1.4446 C.ar 1 UNL1111111111 -0.0464 21 C 4.3657 0.8174 -0.4665 C.ar 1 UNL1111111111 -0.1793 22 C 3.4509 0.3825 0.4859 C.ar 1 UNL1111111111 0.0843 23 C 2.9347 -0.9042 0.4905 C.ar 1 UNL1111111111 -0.2530 24 CL 2.8866 1.4323 1.7100 Cl 1 UNL1111111111 -0.0648 25 S 5.0633 2.4442 -0.5223 S.3 1 UNL1111111111 0.1502 26 C 3.6717 3.4663 -0.2413 C.ar 1 UNL1111111111 0.0478 27 N 2.5375 3.4705 -0.9748 N.ar 1 UNL1111111111 -0.3699 28 C 1.6910 4.3977 -0.4062 C.ar 1 UNL1111111111 -0.0698 29 C 2.3210 4.9883 0.6992 C.ar 1 UNL1111111111 -0.1379 30 N 3.5669 4.3890 0.7973 N.ar 1 UNL1111111111 -0.1905 31 C 4.5577 4.6729 1.8162 C.3 1 UNL1111111111 -0.2523 32 C 2.4866 -5.6705 0.4715 C.1 1 UNL1111111111 0.1391 33 N 3.3658 -6.4243 0.5119 N.1 1 UNL1111111111 -0.2616 34 N -7.4861 1.0688 -0.6179 N.3 1 UNL1111111111 -0.4186 35 C -8.8789 0.7679 -0.2043 C.3 1 UNL1111111111 -0.1807 36 C -7.4249 1.4093 -2.0547 C.3 1 UNL1111111111 -0.2786 37 C -9.0168 1.1256 1.2915 C.3 1 UNL1111111111 0.0018 38 O -8.7395 2.4924 1.4998 O.3 1 UNL1111111111 -0.5492 39 H -2.8143 -2.6474 0.9749 H 1 UNL1111111111 0.1918 40 H 1.2552 -1.0468 -1.4332 H 1 UNL1111111111 0.1850 41 H 0.0258 -6.1372 1.3861 H 1 UNL1111111111 0.1787 42 H -4.4535 -1.5527 -0.0575 H 1 UNL1111111111 0.1340 43 H -4.1020 -0.6294 1.4598 H 1 UNL1111111111 0.1381 44 H -5.1787 1.3686 0.6322 H 1 UNL1111111111 0.1659 45 H -4.7804 0.9902 -1.0351 H 1 UNL1111111111 0.1689 46 H -6.5532 -0.8356 -1.0735 H 1 UNL1111111111 0.1211 47 H -6.8946 -0.5356 0.6510 H 1 UNL1111111111 0.1358 48 H 0.0138 2.2822 -2.1044 H 1 UNL1111111111 0.1610 49 H 1.1247 1.3223 -1.0787 H 1 UNL1111111111 0.1531 50 H 0.7064 0.7449 -2.7419 H 1 UNL1111111111 0.1349 51 H 3.4635 -3.8256 -0.8787 H 1 UNL1111111111 0.3292 52 H 4.6193 -2.0754 -2.2482 H 1 UNL1111111111 0.1719 53 H 5.5084 0.2197 -2.2124 H 1 UNL1111111111 0.1708 54 H 2.2212 -1.2232 1.2544 H 1 UNL1111111111 0.1993 55 H 0.7121 4.5813 -0.8057 H 1 UNL1111111111 0.1840 56 H 1.9755 5.7446 1.3709 H 1 UNL1111111111 0.1791 57 H 5.4730 5.1101 1.3715 H 1 UNL1111111111 0.1655 58 H 4.1664 5.3881 2.5624 H 1 UNL1111111111 0.1630 59 H 4.8466 3.7476 2.3566 H 1 UNL1111111111 0.1759 60 H -9.5816 1.4076 -0.7838 H 1 UNL1111111111 0.1534 61 H -9.1812 -0.2817 -0.3860 H 1 UNL1111111111 0.1226 62 H -7.7954 0.6207 -2.7259 H 1 UNL1111111111 0.1213 63 H -8.0127 2.3264 -2.2308 H 1 UNL1111111111 0.1491 64 H -6.3820 1.6385 -2.3323 H 1 UNL1111111111 0.1520 65 H -10.0565 1.0084 1.6448 H 1 UNL1111111111 0.1330 66 H -8.3360 0.5344 1.9281 H 1 UNL1111111111 0.1161 67 H -7.9402 2.7381 0.9758 H 1 UNL1111111111 0.3367 @BOND 1 1 2 ar 2 1 6 ar 3 1 11 1 4 2 3 ar 5 2 12 1 6 3 4 ar 7 3 39 1 8 4 5 ar 9 4 7 ar 10 5 6 ar 11 5 10 ar 12 6 40 1 13 7 8 ar 14 8 9 ar 15 8 41 1 16 9 10 ar 17 9 32 1 18 10 17 1 19 11 16 1 20 12 13 1 21 13 14 1 22 13 42 1 23 13 43 1 24 14 15 1 25 14 44 1 26 14 45 1 27 15 34 1 28 15 46 1 29 15 47 1 30 16 48 1 31 16 49 1 32 16 50 1 33 17 18 1 34 17 51 1 35 18 19 ar 36 18 23 ar 37 19 20 ar 38 19 52 1 39 20 21 ar 40 20 53 1 41 21 22 ar 42 21 25 1 43 22 23 ar 44 22 24 1 45 23 54 1 46 25 26 1 47 26 27 ar 48 26 30 ar 49 27 28 ar 50 28 29 ar 51 28 55 1 52 29 30 ar 53 29 56 1 54 30 31 1 55 31 57 1 56 31 58 1 57 31 59 1 58 32 33 3 59 34 35 1 60 34 36 1 61 35 37 1 62 35 60 1 63 35 61 1 64 36 62 1 65 36 63 1 66 36 64 1 67 37 38 1 68 37 65 1 69 37 66 1 70 38 67 1