@MOLECULE 3-[(3-butyl-6-methoxy-2-methyl-4-quinolinyl)sulfanyl]propanenitrile 44 45 0 0 0 SMALL GASTEIGER @ATOM 1 N 1.6106 -4.8531 -1.9025 N.1 1 UNL1111111111 -0.2642 2 C 1.4420 -3.9492 -1.2007 C.1 1 UNL1111111111 0.1161 3 C 1.2258 -2.8204 -0.3238 C.3 1 UNL1111111111 -0.2584 4 C -0.2407 -2.7680 0.1068 C.3 1 UNL1111111111 -0.3064 5 S -0.5793 -1.3927 1.2761 S.3 1 UNL1111111111 0.0372 6 C -0.4543 0.0231 0.2003 C.ar 1 UNL1111111111 -0.1302 7 C 0.8029 0.6970 0.1161 C.ar 1 UNL1111111111 -0.0005 8 C 1.9648 0.3263 0.8256 C.ar 1 UNL1111111111 -0.2781 9 C 3.1358 1.0414 0.6443 C.ar 1 UNL1111111111 0.2488 10 O 4.1741 0.5591 1.3782 O.3 1 UNL1111111111 -0.3051 11 C 5.4166 1.2411 1.2820 C.3 1 UNL1111111111 -0.2039 12 C 3.2157 2.1543 -0.2283 C.ar 1 UNL1111111111 -0.2636 13 C 2.0932 2.5375 -0.9137 C.ar 1 UNL1111111111 -0.0688 14 C 0.8739 1.8191 -0.7515 C.ar 1 UNL1111111111 0.0703 15 N -0.2127 2.2601 -1.4662 N.ar 1 UNL1111111111 -0.3662 16 C -1.3657 1.6312 -1.3559 C.ar 1 UNL1111111111 0.1820 17 C -2.4949 2.1809 -2.1680 C.3 1 UNL1111111111 -0.4448 18 C -1.5401 0.4702 -0.5105 C.ar 1 UNL1111111111 -0.0208 19 C -2.8928 -0.1629 -0.4488 C.3 1 UNL1111111111 -0.2840 20 C -3.7236 0.4882 0.6709 C.3 1 UNL1111111111 -0.2569 21 C -5.1534 -0.0670 0.6704 C.3 1 UNL1111111111 -0.2476 22 C -5.9712 0.5470 1.8064 C.3 1 UNL1111111111 -0.4411 23 H 1.9055 -2.8872 0.5636 H 1 UNL1111111111 0.1895 24 H 1.5260 -1.8707 -0.8387 H 1 UNL1111111111 0.1897 25 H -0.9040 -2.6898 -0.7749 H 1 UNL1111111111 0.1636 26 H -0.5315 -3.6973 0.6371 H 1 UNL1111111111 0.1732 27 H 1.9575 -0.5007 1.5355 H 1 UNL1111111111 0.1928 28 H 4.1490 2.6962 -0.3493 H 1 UNL1111111111 0.1675 29 H 5.3270 2.2733 1.6338 H 1 UNL1111111111 0.1347 30 H 6.0504 0.6591 1.9657 H 1 UNL1111111111 0.1528 31 H 5.8134 1.1932 0.2634 H 1 UNL1111111111 0.1353 32 H 2.0979 3.3921 -1.5950 H 1 UNL1111111111 0.1767 33 H -2.8007 1.4783 -2.9567 H 1 UNL1111111111 0.1640 34 H -3.3729 2.4041 -1.5456 H 1 UNL1111111111 0.1642 35 H -2.2076 3.1208 -2.6723 H 1 UNL1111111111 0.1811 36 H -3.4227 -0.0648 -1.4193 H 1 UNL1111111111 0.1523 37 H -2.8404 -1.2580 -0.2827 H 1 UNL1111111111 0.1612 38 H -3.2471 0.3040 1.6534 H 1 UNL1111111111 0.1523 39 H -3.7396 1.5870 0.5491 H 1 UNL1111111111 0.1391 40 H -5.6428 0.1361 -0.3004 H 1 UNL1111111111 0.1311 41 H -5.1312 -1.1687 0.7760 H 1 UNL1111111111 0.1365 42 H -5.5322 0.3176 2.7844 H 1 UNL1111111111 0.1458 43 H -6.0267 1.6378 1.7184 H 1 UNL1111111111 0.1434 44 H -6.9977 0.1648 1.8099 H 1 UNL1111111111 0.1388 @BOND 1 1 2 3 2 2 3 1 3 3 4 1 4 3 23 1 5 3 24 1 6 4 5 1 7 4 25 1 8 4 26 1 9 5 6 1 10 6 7 ar 11 6 18 ar 12 7 8 ar 13 7 14 ar 14 8 9 ar 15 8 27 1 16 9 10 1 17 9 12 ar 18 10 11 1 19 11 29 1 20 11 30 1 21 11 31 1 22 12 13 ar 23 12 28 1 24 13 14 ar 25 13 32 1 26 14 15 ar 27 15 16 ar 28 16 17 1 29 16 18 ar 30 17 33 1 31 17 34 1 32 17 35 1 33 18 19 1 34 19 20 1 35 19 36 1 36 19 37 1 37 20 21 1 38 20 38 1 39 20 39 1 40 21 22 1 41 21 40 1 42 21 41 1 43 22 42 1 44 22 43 1 45 22 44 1