@MOLECULE 1-[5-(3,4-dimethoxyphenyl)-1-benzothiophen-2-yl]methanediamine 40 42 0 0 0 SMALL GASTEIGER @ATOM 1 C -1.9689 -0.2768 0.1207 C.ar 1 UNL111111111 -0.0346 2 C -2.3319 0.9550 0.7016 C.ar 1 UNL111111111 -0.1156 3 C -0.6211 -0.6215 0.0083 C.ar 1 UNL111111111 -0.1368 4 C -1.3734 1.8459 1.1720 C.ar 1 UNL111111111 -0.1372 5 C 0.3418 0.2710 0.4718 C.ar 1 UNL111111111 -0.0012 6 C -0.0346 1.4966 1.0507 C.ar 1 UNL111111111 -0.1439 7 C -3.1135 -1.0549 -0.3070 C.ar 1 UNL111111111 -0.1466 8 C -4.3009 -0.4475 -0.0798 C.ar 1 UNL111111111 -0.1892 9 S -4.0835 1.1249 0.7078 S.2 1 UNL111111111 0.1196 10 C 1.7658 -0.0647 0.3512 C.ar 1 UNL111111111 -0.0186 11 C 2.2626 -1.2337 0.9112 C.ar 1 UNL111111111 -0.1474 12 C 2.6185 0.8089 -0.3440 C.ar 1 UNL111111111 -0.2483 13 C 3.6208 -1.5535 0.7939 C.ar 1 UNL111111111 -0.2440 14 C 3.9606 0.4958 -0.4710 C.ar 1 UNL111111111 0.1545 15 C 4.4708 -0.7007 0.1083 C.ar 1 UNL111111111 0.1510 16 O 4.8982 1.2399 -1.1171 O.3 1 UNL111111111 -0.2758 17 C 4.4327 2.4170 -1.7648 C.3 1 UNL111111111 -0.2143 18 O 5.8051 -0.8783 -0.0856 O.3 1 UNL111111111 -0.2755 19 C 6.3690 -2.0730 0.4394 C.3 1 UNL111111111 -0.2149 20 C -5.6670 -0.9968 -0.3782 C.3 1 UNL111111111 0.2385 21 N -6.6457 0.0177 -0.8312 N.3 1 UNL111111111 -0.7150 22 N -5.5535 -2.0420 -1.4169 N.3 1 UNL111111111 -0.6386 23 H -0.3312 -1.5694 -0.4421 H 1 UNL111111111 0.1681 24 H -1.6564 2.7947 1.6244 H 1 UNL111111111 0.1612 25 H 0.7405 2.1727 1.4122 H 1 UNL111111111 0.1625 26 H -2.9948 -2.0339 -0.7587 H 1 UNL111111111 0.1871 27 H 1.5991 -1.9071 1.4517 H 1 UNL111111111 0.1604 28 H 2.2061 1.7152 -0.7799 H 1 UNL111111111 0.1706 29 H 3.9895 -2.4702 1.2447 H 1 UNL111111111 0.1631 30 H 5.3520 2.7970 -2.2315 H 1 UNL111111111 0.1538 31 H 3.6878 2.1793 -2.5307 H 1 UNL111111111 0.1369 32 H 4.0473 3.1376 -1.0371 H 1 UNL111111111 0.1348 33 H 5.9240 -2.9573 -0.0267 H 1 UNL111111111 0.1346 34 H 7.4226 -1.9737 0.1432 H 1 UNL111111111 0.1550 35 H 6.2810 -2.1044 1.5296 H 1 UNL111111111 0.1347 36 H -7.0725 0.5396 -0.0861 H 1 UNL111111111 0.2673 37 H -6.2865 0.6487 -1.5272 H 1 UNL111111111 0.2636 38 H -6.4577 -2.4445 -1.6242 H 1 UNL111111111 0.2655 39 H -5.1599 -1.6863 -2.2746 H 1 UNL111111111 0.2528 40 H -6.0829 -1.4946 0.5507 H 1 UNL111111111 0.1620 @BOND 1 1 7 ar 2 1 2 ar 3 2 4 ar 4 2 9 ar 5 3 1 ar 6 3 23 1 7 4 24 1 8 5 3 ar 9 5 6 ar 10 6 4 ar 11 6 25 1 12 7 8 ar 13 7 26 1 14 8 20 1 15 8 9 ar 16 10 5 1 17 10 11 ar 18 11 27 1 19 12 10 ar 20 12 28 1 21 13 11 ar 22 13 29 1 23 14 12 ar 24 14 15 ar 25 15 13 ar 26 16 14 1 27 17 16 1 28 17 30 1 29 17 31 1 30 17 32 1 31 18 15 1 32 19 18 1 33 19 33 1 34 19 34 1 35 19 35 1 36 20 21 1 37 20 40 1 38 21 36 1 39 21 37 1 40 22 20 1 41 22 38 1 42 22 39 1