@MOLECULE 2-propanamine, n,n,2-trimethyl-1-((3-phenyl-2-quinolinyl)thio)- 48 50 0 0 0 SMALL GASTEIGER @ATOM 1 S 0.4935 1.3292 0.8475 S.3 1 UNL11111111111 0.0781 2 N 4.4240 0.5326 -0.3245 N.3 1 UNL11111111111 -0.4342 3 N 0.2285 -1.3075 0.5320 N.ar 1 UNL11111111111 -0.4208 4 C 3.0198 1.0343 -0.4270 C.3 1 UNL11111111111 0.2763 5 C 2.2462 0.8274 0.9027 C.3 1 UNL11111111111 -0.3919 6 C 2.3361 0.2899 -1.5918 C.3 1 UNL11111111111 -0.4736 7 C 3.0789 2.5354 -0.7840 C.3 1 UNL11111111111 -0.4729 8 C 4.5184 -0.9332 -0.1499 C.3 1 UNL11111111111 -0.2713 9 C 5.2192 1.2005 0.7279 C.3 1 UNL11111111111 -0.2766 10 C -0.3976 -0.1499 0.4471 C.ar 1 UNL11111111111 0.1308 11 C -1.7729 -0.0263 0.0607 C.ar 1 UNL11111111111 -0.1013 12 C -2.4681 -1.1713 -0.2334 C.ar 1 UNL11111111111 -0.0903 13 C -1.8202 -2.4350 -0.1557 C.ar 1 UNL11111111111 -0.0978 14 C -0.4571 -2.4623 0.2327 C.ar 1 UNL11111111111 0.1730 15 C -2.4047 1.2933 -0.0274 C.ar 1 UNL11111111111 -0.0085 16 C -2.4760 -3.6570 -0.4502 C.ar 1 UNL11111111111 -0.1229 17 C 0.2338 -3.7051 0.3206 C.ar 1 UNL11111111111 -0.1576 18 C -3.1610 1.7751 1.0428 C.ar 1 UNL11111111111 -0.1387 19 C -2.2483 2.0615 -1.1835 C.ar 1 UNL11111111111 -0.1337 20 C -1.7948 -4.8445 -0.3590 C.ar 1 UNL11111111111 -0.1642 21 C -0.4308 -4.8675 0.0286 C.ar 1 UNL11111111111 -0.1233 22 C -3.7601 3.0297 0.9545 C.ar 1 UNL11111111111 -0.1436 23 C -2.8496 3.3151 -1.2651 C.ar 1 UNL11111111111 -0.1437 24 C -3.6048 3.7990 -0.1976 C.ar 1 UNL11111111111 -0.1466 25 H 2.7098 1.4217 1.7111 H 1 UNL11111111111 0.1640 26 H 2.3179 -0.2360 1.2143 H 1 UNL11111111111 0.1905 27 H 1.4464 0.8190 -1.9461 H 1 UNL11111111111 0.1527 28 H 2.0254 -0.7224 -1.3092 H 1 UNL11111111111 0.1583 29 H 3.0210 0.2070 -2.4457 H 1 UNL11111111111 0.1593 30 H 3.8283 2.7073 -1.5679 H 1 UNL11111111111 0.1593 31 H 2.1184 2.8938 -1.1695 H 1 UNL11111111111 0.1572 32 H 3.3419 3.1609 0.0724 H 1 UNL11111111111 0.1404 33 H 4.0792 -1.4372 -1.0265 H 1 UNL11111111111 0.1512 34 H 4.0257 -1.3197 0.7550 H 1 UNL11111111111 0.1221 35 H 5.5813 -1.2236 -0.1183 H 1 UNL11111111111 0.1385 36 H 6.2718 0.8852 0.6237 H 1 UNL11111111111 0.1428 37 H 4.8948 0.9813 1.7555 H 1 UNL11111111111 0.1166 38 H 5.2031 2.2910 0.5775 H 1 UNL11111111111 0.1446 39 H -3.5164 -1.1288 -0.5325 H 1 UNL11111111111 0.1683 40 H -3.5235 -3.6328 -0.7478 H 1 UNL11111111111 0.1560 41 H 1.2809 -3.6962 0.6223 H 1 UNL11111111111 0.1735 42 H -3.2744 1.1745 1.9436 H 1 UNL11111111111 0.1577 43 H -1.6540 1.6823 -2.0132 H 1 UNL11111111111 0.1583 44 H -2.2905 -5.7876 -0.5825 H 1 UNL11111111111 0.1542 45 H 0.0797 -5.8282 0.0901 H 1 UNL11111111111 0.1533 46 H -4.3467 3.4099 1.7878 H 1 UNL11111111111 0.1468 47 H -2.7269 3.9181 -2.1620 H 1 UNL11111111111 0.1471 48 H -4.0715 4.7788 -0.2628 H 1 UNL11111111111 0.1429 @BOND 1 1 5 1 2 1 10 1 3 2 4 1 4 2 8 1 5 2 9 1 6 3 10 ar 7 3 14 ar 8 4 5 1 9 4 6 1 10 4 7 1 11 5 25 1 12 5 26 1 13 6 27 1 14 6 28 1 15 6 29 1 16 7 30 1 17 7 31 1 18 7 32 1 19 8 33 1 20 8 34 1 21 8 35 1 22 9 36 1 23 9 37 1 24 9 38 1 25 10 11 ar 26 11 12 ar 27 11 15 1 28 12 13 ar 29 12 39 1 30 13 14 ar 31 13 16 ar 32 14 17 ar 33 15 18 ar 34 15 19 ar 35 16 20 ar 36 16 40 1 37 17 21 ar 38 17 41 1 39 18 22 ar 40 18 42 1 41 19 23 ar 42 19 43 1 43 20 21 ar 44 20 44 1 45 21 45 1 46 22 24 ar 47 22 46 1 48 23 24 ar 49 23 47 1 50 24 48 1