@MOLECULE 2-(3-(diallylamino)propionyl)benzothiophene 39 40 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.8090 -1.3267 -1.0044 S.2 1 UNL111111111111 0.2663 2 O 0.1557 -1.9776 -1.2309 O.2 1 UNL111111111111 -0.4383 3 N 3.4920 0.2065 -0.0043 N.3 1 UNL111111111111 -0.4373 4 C 2.4350 -0.6988 -0.5138 C.3 1 UNL111111111111 -0.0956 5 C 1.0745 -0.0944 -0.1192 C.3 1 UNL111111111111 -0.3808 6 C 3.8407 1.2476 -1.0041 C.3 1 UNL111111111111 -0.1307 7 C 4.6999 -0.5473 0.4169 C.3 1 UNL111111111111 -0.1325 8 C -0.0520 -0.9598 -0.6135 C.2 1 UNL111111111111 0.4840 9 C -1.4158 -0.5024 -0.3141 C.ar 1 UNL111111111111 -0.2726 10 C -3.2157 0.7113 0.5617 C.ar 1 UNL111111111111 -0.0617 11 C -1.7859 0.5371 0.4809 C.ar 1 UNL111111111111 -0.1187 12 C -3.9229 -0.2384 -0.2053 C.ar 1 UNL111111111111 -0.1171 13 C 4.5378 2.3847 -0.3118 C.2 1 UNL111111111111 -0.1129 14 C 4.4016 -1.3034 1.6801 C.2 1 UNL111111111111 -0.1086 15 C -3.9192 1.6814 1.2883 C.ar 1 UNL111111111111 -0.1190 16 C -5.3165 -0.2309 -0.2562 C.ar 1 UNL111111111111 -0.1507 17 C -5.3024 1.6875 1.2369 C.ar 1 UNL111111111111 -0.1640 18 C -5.9974 0.7360 0.4683 C.ar 1 UNL111111111111 -0.1235 19 C 5.3979 3.1868 -0.9365 C.2 1 UNL111111111111 -0.3526 20 C 5.0834 -2.3884 2.0429 C.2 1 UNL111111111111 -0.3508 21 H 2.5341 -1.7086 -0.0538 H 1 UNL111111111111 0.1566 22 H 2.4840 -0.8630 -1.6110 H 1 UNL111111111111 0.1327 23 H 1.0308 0.0167 0.9855 H 1 UNL111111111111 0.1831 24 H 0.9776 0.9356 -0.5166 H 1 UNL111111111111 0.1734 25 H 4.4481 0.8481 -1.8460 H 1 UNL111111111111 0.1267 26 H 2.8970 1.6375 -1.4579 H 1 UNL111111111111 0.1537 27 H 5.0865 -1.2191 -0.3807 H 1 UNL111111111111 0.1280 28 H 5.5163 0.1874 0.6289 H 1 UNL111111111111 0.1570 29 H -1.1121 1.1917 1.0177 H 1 UNL111111111111 0.1702 30 H 4.2686 2.5107 0.7382 H 1 UNL111111111111 0.1598 31 H 3.5971 -0.8817 2.2845 H 1 UNL111111111111 0.1591 32 H -3.3775 2.4150 1.8815 H 1 UNL111111111111 0.1563 33 H -5.8620 -0.9640 -0.8483 H 1 UNL111111111111 0.1631 34 H -5.8674 2.4333 1.7947 H 1 UNL111111111111 0.1558 35 H -7.0864 0.7650 0.4467 H 1 UNL111111111111 0.1540 36 H 5.8867 4.0202 -0.4567 H 1 UNL111111111111 0.1483 37 H 5.6824 3.0811 -1.9709 H 1 UNL111111111111 0.1455 38 H 4.8950 -2.9280 2.9577 H 1 UNL111111111111 0.1483 39 H 5.8797 -2.8249 1.4621 H 1 UNL111111111111 0.1453 @BOND 1 1 9 ar 2 1 12 ar 3 2 8 2 4 3 4 1 5 3 6 1 6 3 7 1 7 4 5 1 8 4 21 1 9 4 22 1 10 5 8 1 11 5 23 1 12 5 24 1 13 6 13 1 14 6 25 1 15 6 26 1 16 7 14 1 17 7 27 1 18 7 28 1 19 8 9 1 20 9 11 ar 21 10 11 ar 22 10 12 ar 23 10 15 ar 24 11 29 1 25 12 16 ar 26 13 19 2 27 13 30 1 28 14 20 2 29 14 31 1 30 15 17 ar 31 15 32 1 32 16 18 ar 33 16 33 1 34 17 18 ar 35 17 34 1 36 18 35 1 37 19 36 1 38 19 37 1 39 20 38 1 40 20 39 1