@MOLECULE 2,5-dimethoxy-4-n-propylthiophenethylamine 38 38 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.4619 0.6790 0.6016 S.3 1 UNL1111111111 0.0531 2 O 1.8883 -2.0765 -0.3164 O.3 1 UNL1111111111 -0.3101 3 O -0.5124 2.8083 0.3006 O.3 1 UNL1111111111 -0.3235 4 N 5.6619 -0.3361 0.3768 N.3 1 UNL1111111111 -0.6484 5 C 2.0029 0.2306 -0.3442 C.ar 1 UNL1111111111 -0.0649 6 C 3.4600 0.0866 -0.6293 C.3 1 UNL1111111111 -0.2727 7 C 1.1932 -0.9135 -0.1793 C.ar 1 UNL1111111111 0.2043 8 C 1.4102 1.4777 -0.2147 C.ar 1 UNL1111111111 -0.1757 9 C -0.7551 0.4381 0.2197 C.ar 1 UNL1111111111 -0.0927 10 C 0.0425 1.5729 0.0628 C.ar 1 UNL1111111111 0.1385 11 C -0.1660 -0.8225 0.1049 C.ar 1 UNL1111111111 -0.2855 12 C 4.2164 -0.2295 0.6786 C.3 1 UNL1111111111 -0.0900 13 C -3.2506 -0.9089 0.0997 C.3 1 UNL1111111111 -0.3232 14 C -4.7618 -0.7015 0.0249 C.3 1 UNL1111111111 -0.2375 15 C -5.4479 -2.0087 -0.3816 C.3 1 UNL1111111111 -0.4413 16 C 1.1530 -3.2880 -0.2191 C.3 1 UNL1111111111 -0.2035 17 C -0.6764 3.5807 -0.8852 C.3 1 UNL1111111111 -0.1976 18 H 3.8837 1.0057 -1.0853 H 1 UNL1111111111 0.1645 19 H 3.6357 -0.7170 -1.3748 H 1 UNL1111111111 0.1571 20 H 2.0013 2.3877 -0.3148 H 1 UNL1111111111 0.1743 21 H -0.7527 -1.7251 0.2472 H 1 UNL1111111111 0.1669 22 H 4.0751 0.6013 1.4051 H 1 UNL1111111111 0.1453 23 H 3.7986 -1.1487 1.1424 H 1 UNL1111111111 0.1179 24 H -3.0024 -1.6959 0.8333 H 1 UNL1111111111 0.1527 25 H -2.8555 -1.2350 -0.8787 H 1 UNL1111111111 0.1542 26 H -5.1665 -0.3596 0.9992 H 1 UNL1111111111 0.1458 27 H -5.0185 0.0931 -0.7052 H 1 UNL1111111111 0.1463 28 H -6.5348 -1.8810 -0.4421 H 1 UNL1111111111 0.1438 29 H -5.2527 -2.8084 0.3414 H 1 UNL1111111111 0.1433 30 H -5.1049 -2.3560 -1.3624 H 1 UNL1111111111 0.1435 31 H 6.2049 -0.4856 1.2106 H 1 UNL1111111111 0.2453 32 H 5.8535 -1.0817 -0.2711 H 1 UNL1111111111 0.2437 33 H 1.9322 -4.0437 -0.3883 H 1 UNL1111111111 0.1510 34 H 0.3886 -3.3488 -0.9995 H 1 UNL1111111111 0.1343 35 H 0.7207 -3.4032 0.7799 H 1 UNL1111111111 0.1354 36 H -1.3119 3.0586 -1.6070 H 1 UNL1111111111 0.1332 37 H 0.2935 3.8295 -1.3239 H 1 UNL1111111111 0.1249 38 H -1.1796 4.4814 -0.5123 H 1 UNL1111111111 0.1475 @BOND 1 1 9 1 2 1 13 1 3 2 7 1 4 2 16 1 5 3 10 1 6 3 17 1 7 4 12 1 8 4 31 1 9 4 32 1 10 5 6 1 11 5 7 ar 12 5 8 ar 13 6 12 1 14 6 18 1 15 6 19 1 16 7 11 ar 17 8 10 ar 18 8 20 1 19 9 10 ar 20 9 11 ar 21 11 21 1 22 12 22 1 23 12 23 1 24 13 14 1 25 13 24 1 26 13 25 1 27 14 15 1 28 14 26 1 29 14 27 1 30 15 28 1 31 15 29 1 32 15 30 1 33 16 33 1 34 16 34 1 35 16 35 1 36 17 36 1 37 17 37 1 38 17 38 1