@MOLECULE 1-{(3z)-4-[5-(2,2-dimethylpropyl)-2-thienyl]-4-phenyl-3-buten-1-yl}pyrrolidine 56 58 0 0 0 SMALL GASTEIGER @ATOM 1 S -0.7487 1.3809 -0.7874 S.2 1 UNL1111111111 0.1751 2 N 2.9114 -2.2061 0.1319 N.3 1 UNL1111111111 -0.4112 3 C 3.5299 -3.0998 1.1442 C.3 1 UNL1111111111 -0.1116 4 C 3.7730 -2.3372 -1.0713 C.3 1 UNL1111111111 -0.1108 5 C 4.2730 -4.2359 0.3983 C.3 1 UNL1111111111 -0.3011 6 C 4.4128 -3.7464 -1.0547 C.3 1 UNL1111111111 -0.3028 7 C 1.4988 -2.5535 -0.1501 C.3 1 UNL1111111111 -0.1087 8 C 1.8268 4.0766 -0.3151 C.3 1 UNL1111111111 0.1440 9 C 0.6231 -1.9611 0.9759 C.3 1 UNL1111111111 -0.2923 10 C 0.2728 3.9850 -0.3270 C.3 1 UNL1111111111 -0.3054 11 C 2.3556 4.0344 1.1250 C.3 1 UNL1111111111 -0.4709 12 C 2.4496 2.9319 -1.1234 C.3 1 UNL1111111111 -0.4672 13 C 2.2186 5.4207 -0.9572 C.3 1 UNL1111111111 -0.4742 14 C -0.8136 -2.0419 0.5898 C.2 1 UNL1111111111 -0.1233 15 C -0.2482 2.7223 0.2313 C.ar 1 UNL1111111111 -0.0769 16 C -1.6091 -0.9725 0.4254 C.2 1 UNL1111111111 -0.0460 17 C -1.1469 0.3891 0.6008 C.ar 1 UNL1111111111 -0.1263 18 C -0.4301 2.4054 1.5464 C.ar 1 UNL1111111111 -0.2185 19 C -0.9327 1.0773 1.7585 C.ar 1 UNL1111111111 -0.1718 20 C -3.0236 -1.1181 0.0478 C.ar 1 UNL1111111111 -0.0003 21 C -3.3778 -1.8811 -1.0679 C.ar 1 UNL1111111111 -0.1557 22 C -4.0162 -0.4898 0.8053 C.ar 1 UNL1111111111 -0.1495 23 C -4.7187 -2.0175 -1.4193 C.ar 1 UNL1111111111 -0.1471 24 C -5.3551 -0.6320 0.4524 C.ar 1 UNL1111111111 -0.1436 25 C -5.7079 -1.3958 -0.6596 C.ar 1 UNL1111111111 -0.1536 26 H 2.7873 -3.4888 1.8611 H 1 UNL1111111111 0.1306 27 H 4.2461 -2.4775 1.7235 H 1 UNL1111111111 0.1430 28 H 4.5546 -1.5509 -0.9881 H 1 UNL1111111111 0.1441 29 H 3.2175 -2.1385 -2.0033 H 1 UNL1111111111 0.1307 30 H 5.2533 -4.4353 0.8556 H 1 UNL1111111111 0.1384 31 H 3.7077 -5.1788 0.4481 H 1 UNL1111111111 0.1353 32 H 3.8987 -4.4238 -1.7536 H 1 UNL1111111111 0.1352 33 H 5.4643 -3.7108 -1.3742 H 1 UNL1111111111 0.1385 34 H 1.2041 -2.0883 -1.1170 H 1 UNL1111111111 0.1436 35 H 1.3260 -3.6443 -0.2484 H 1 UNL1111111111 0.1143 36 H 0.9524 -0.9160 1.1723 H 1 UNL1111111111 0.1786 37 H 0.7961 -2.4984 1.9288 H 1 UNL1111111111 0.1485 38 H -0.0827 4.1544 -1.3656 H 1 UNL1111111111 0.1548 39 H -0.1346 4.8444 0.2516 H 1 UNL1111111111 0.1562 40 H 2.1283 3.0729 1.6024 H 1 UNL1111111111 0.1584 41 H 3.4426 4.1604 1.1518 H 1 UNL1111111111 0.1444 42 H 1.9146 4.8239 1.7405 H 1 UNL1111111111 0.1411 43 H 2.2946 1.9616 -0.6341 H 1 UNL1111111111 0.1633 44 H 2.0250 2.8677 -2.1297 H 1 UNL1111111111 0.1451 45 H 3.5314 3.0638 -1.2288 H 1 UNL1111111111 0.1426 46 H 3.3056 5.5535 -0.9600 H 1 UNL1111111111 0.1463 47 H 1.8802 5.4828 -1.9962 H 1 UNL1111111111 0.1439 48 H 1.7885 6.2672 -0.4133 H 1 UNL1111111111 0.1432 49 H -1.1970 -3.0529 0.4472 H 1 UNL1111111111 0.1498 50 H -0.2191 3.0669 2.3715 H 1 UNL1111111111 0.1622 51 H -1.1067 0.6851 2.7487 H 1 UNL1111111111 0.1639 52 H -2.6050 -2.3606 -1.6653 H 1 UNL1111111111 0.1544 53 H -3.7369 0.1126 1.6688 H 1 UNL1111111111 0.1587 54 H -4.9933 -2.6094 -2.2895 H 1 UNL1111111111 0.1459 55 H -6.1268 -0.1442 1.0443 H 1 UNL1111111111 0.1487 56 H -6.7541 -1.5043 -0.9350 H 1 UNL1111111111 0.1459 @BOND 1 1 15 ar 2 1 17 ar 3 2 3 1 4 2 4 1 5 2 7 1 6 3 5 1 7 3 26 1 8 3 27 1 9 4 6 1 10 4 28 1 11 4 29 1 12 5 6 1 13 5 30 1 14 5 31 1 15 6 32 1 16 6 33 1 17 7 9 1 18 7 34 1 19 7 35 1 20 8 10 1 21 8 11 1 22 8 12 1 23 8 13 1 24 9 14 1 25 9 36 1 26 9 37 1 27 10 15 1 28 10 38 1 29 10 39 1 30 11 40 1 31 11 41 1 32 11 42 1 33 12 43 1 34 12 44 1 35 12 45 1 36 13 46 1 37 13 47 1 38 13 48 1 39 14 16 2 40 14 49 1 41 15 18 ar 42 16 17 1 43 16 20 1 44 17 19 ar 45 18 19 ar 46 18 50 1 47 19 51 1 48 20 21 ar 49 20 22 ar 50 21 23 ar 51 21 52 1 52 22 24 ar 53 22 53 1 54 23 25 ar 55 23 54 1 56 24 25 ar 57 24 55 1 58 25 56 1