@MOLECULE 1-{2-[4-(3-{4-[2-(1-pyrrolidinyl)ethoxy]benzyl}-1-benzothiophen-2-yl)phenoxy]ethyl}pyrrolidine 76 81 0 0 0 SMALL GASTEIGER @ATOM 1 C 1.3551 6.8057 0.7301 C.ar 1 UNL111111111 -0.1371 2 C 0.1757 6.2802 1.2443 C.ar 1 UNL111111111 -0.1479 3 C -0.2656 5.0532 0.7604 C.ar 1 UNL111111111 -0.1124 4 C 0.4509 4.3525 -0.2314 C.ar 1 UNL111111111 -0.0418 5 C 1.6410 4.8894 -0.7307 C.ar 1 UNL111111111 -0.1219 6 C 2.0842 6.1126 -0.2476 C.ar 1 UNL111111111 -0.1594 7 S -1.6965 4.1498 1.2373 S.2 1 UNL111111111 0.1559 8 C -1.3170 2.8456 0.1039 C.ar 1 UNL111111111 -0.1378 9 C -0.1807 3.0967 -0.5986 C.ar 1 UNL111111111 -0.0146 10 C 0.3928 2.1966 -1.6372 C.3 1 UNL111111111 -0.2736 11 C -2.1756 1.6835 0.0176 C.ar 1 UNL111111111 -0.0795 12 C -2.1814 0.7330 1.0497 C.ar 1 UNL111111111 -0.0712 13 C -2.9497 -0.4141 0.9387 C.ar 1 UNL111111111 -0.2512 14 C -3.7233 -0.6027 -0.2198 C.ar 1 UNL111111111 0.2686 15 C -3.7491 0.3427 -1.2454 C.ar 1 UNL111111111 -0.3036 16 C -2.9679 1.4883 -1.1156 C.ar 1 UNL111111111 -0.0686 17 O -4.4128 -1.7689 -0.2091 O.3 1 UNL111111111 -0.3591 18 C -5.1740 -2.1030 -1.3755 C.3 1 UNL111111111 -0.0490 19 C 2.6587 1.1437 -1.8611 C.ar 1 UNL111111111 -0.1088 20 C 1.5130 1.3560 -1.0973 C.ar 1 UNL111111111 -0.0483 21 C 1.3913 0.7472 0.1586 C.ar 1 UNL111111111 -0.0995 22 C 2.3936 -0.0762 0.6434 C.ar 1 UNL111111111 -0.2339 23 C 3.5312 -0.2927 -0.1516 C.ar 1 UNL111111111 0.2541 24 C 3.6806 0.3150 -1.3961 C.ar 1 UNL111111111 -0.2878 25 O 4.4393 -1.1117 0.4403 O.3 1 UNL111111111 -0.3652 26 C 5.4627 -1.6687 -0.3865 C.3 1 UNL111111111 -0.0393 27 C 9.0239 -3.9016 0.9575 C.3 1 UNL111111111 -0.2988 28 C 8.1898 -5.1931 1.0366 C.3 1 UNL111111111 -0.2995 29 C 7.0549 -5.0117 -0.0005 C.3 1 UNL111111111 -0.1086 30 N 6.9719 -3.5694 -0.3495 N.3 1 UNL111111111 -0.4112 31 C 8.3472 -3.0451 -0.1402 C.3 1 UNL111111111 -0.1125 32 C -8.0012 -4.4731 -0.5162 C.3 1 UNL111111111 -0.1134 33 N -7.2293 -3.2064 -0.6118 N.3 1 UNL111111111 -0.4129 34 C -7.3437 -2.5828 0.7331 C.3 1 UNL111111111 -0.1153 35 C -7.5673 -3.7076 1.7728 C.3 1 UNL111111111 -0.2973 36 C -7.9670 -4.9491 0.9556 C.3 1 UNL111111111 -0.2994 37 C 5.9702 -2.8499 0.4672 C.3 1 UNL111111111 -0.1444 38 C -5.8196 -3.4466 -0.9999 C.3 1 UNL111111111 -0.1397 39 H 1.7230 7.7648 1.0905 H 1 UNL111111111 0.1501 40 H -0.3814 6.8200 2.0074 H 1 UNL111111111 0.1585 41 H 2.2122 4.3438 -1.4797 H 1 UNL111111111 0.1599 42 H 3.0101 6.5421 -0.6260 H 1 UNL111111111 0.1525 43 H 0.7257 2.7951 -2.5133 H 1 UNL111111111 0.1575 44 H -0.3969 1.5160 -2.0397 H 1 UNL111111111 0.1705 45 H -1.5715 0.8944 1.9401 H 1 UNL111111111 0.1608 46 H -2.9602 -1.1686 1.7205 H 1 UNL111111111 0.1717 47 H -4.3593 0.2039 -2.1303 H 1 UNL111111111 0.1628 48 H -2.9732 2.2394 -1.9062 H 1 UNL111111111 0.1549 49 H -5.9301 -1.3196 -1.5669 H 1 UNL111111111 0.1520 50 H -4.4888 -2.1967 -2.2336 H 1 UNL111111111 0.1294 51 H 2.7637 1.6219 -2.8334 H 1 UNL111111111 0.1461 52 H 0.4957 0.9208 0.7569 H 1 UNL111111111 0.1614 53 H 2.3151 -0.5567 1.6145 H 1 UNL111111111 0.1700 54 H 4.5685 0.1597 -1.9979 H 1 UNL111111111 0.1593 55 H 6.2345 -0.9029 -0.5573 H 1 UNL111111111 0.1274 56 H 5.0514 -2.0184 -1.3487 H 1 UNL111111111 0.1427 57 H 9.0304 -3.3732 1.9236 H 1 UNL111111111 0.1384 58 H 10.0751 -4.1098 0.7104 H 1 UNL111111111 0.1387 59 H 8.7954 -6.0833 0.8110 H 1 UNL111111111 0.1387 60 H 7.7829 -5.3425 2.0486 H 1 UNL111111111 0.1382 61 H 7.2931 -5.5523 -0.9425 H 1 UNL111111111 0.1437 62 H 6.0899 -5.4082 0.3594 H 1 UNL111111111 0.1322 63 H 8.3449 -1.9699 0.1087 H 1 UNL111111111 0.1332 64 H 8.8815 -3.1541 -1.1084 H 1 UNL111111111 0.1428 65 H -9.0414 -4.2323 -0.8261 H 1 UNL111111111 0.1443 66 H -7.6292 -5.2412 -1.2145 H 1 UNL111111111 0.1276 67 H -6.4604 -1.9627 0.9764 H 1 UNL111111111 0.1494 68 H -8.2192 -1.9005 0.6949 H 1 UNL111111111 0.1417 69 H -8.3478 -3.4286 2.4963 H 1 UNL111111111 0.1392 70 H -6.6523 -3.8922 2.3572 H 1 UNL111111111 0.1393 71 H -8.9437 -5.3463 1.2689 H 1 UNL111111111 0.1392 72 H -7.2405 -5.7651 1.0917 H 1 UNL111111111 0.1362 73 H 5.1097 -3.5133 0.7056 H 1 UNL111111111 0.1510 74 H 6.3583 -2.4869 1.4407 H 1 UNL111111111 0.1353 75 H -5.8031 -4.1203 -1.8838 H 1 UNL111111111 0.1437 76 H -5.2218 -3.9435 -0.2024 H 1 UNL111111111 0.1453 @BOND 1 1 2 ar 2 1 6 ar 3 1 39 1 4 2 3 ar 5 2 40 1 6 3 4 ar 7 3 7 ar 8 4 5 ar 9 4 9 ar 10 5 6 ar 11 5 41 1 12 6 42 1 13 7 8 ar 14 8 9 ar 15 8 11 1 16 9 10 1 17 10 20 1 18 10 43 1 19 10 44 1 20 11 12 ar 21 11 16 ar 22 12 13 ar 23 12 45 1 24 13 14 ar 25 13 46 1 26 14 15 ar 27 14 17 1 28 15 16 ar 29 15 47 1 30 16 48 1 31 17 18 1 32 18 38 1 33 18 49 1 34 18 50 1 35 19 20 ar 36 19 24 ar 37 19 51 1 38 20 21 ar 39 21 22 ar 40 21 52 1 41 22 23 ar 42 22 53 1 43 23 24 ar 44 23 25 1 45 24 54 1 46 25 26 1 47 26 37 1 48 26 55 1 49 26 56 1 50 27 28 1 51 27 31 1 52 27 57 1 53 27 58 1 54 28 29 1 55 28 59 1 56 28 60 1 57 29 30 1 58 29 61 1 59 29 62 1 60 30 31 1 61 30 37 1 62 31 63 1 63 31 64 1 64 32 33 1 65 32 36 1 66 32 65 1 67 32 66 1 68 33 34 1 69 33 38 1 70 34 35 1 71 34 67 1 72 34 68 1 73 35 36 1 74 35 69 1 75 35 70 1 76 36 71 1 77 36 72 1 78 37 73 1 79 37 74 1 80 38 75 1 81 38 76 1