@MOLECULE 1-(2-{4-[(1z)-1,2-diphenyl-1-buten-1-yl]phenoxy}ethyl)aziridine 55 58 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.1393 1.6625 0.6324 O.3 1 UNL1111111111 -0.3671 2 N 6.3899 0.9012 -0.7073 N.3 1 UNL1111111111 -0.3457 3 C 7.7852 0.7108 -0.2640 C.3 1 UNL1111111111 -0.2192 4 C 6.9069 -0.4772 -0.5754 C.3 1 UNL1111111111 -0.2189 5 C 5.4247 1.3748 0.2908 C.3 1 UNL1111111111 -0.1577 6 C 4.0615 1.4058 -0.4284 C.3 1 UNL1111111111 -0.0298 7 C 1.8399 1.3286 0.4037 C.ar 1 UNL1111111111 0.2574 8 C -2.1792 0.0741 0.0918 C.2 1 UNL1111111111 -0.0725 9 C -2.4098 -1.2479 0.0634 C.2 1 UNL1111111111 -0.0056 10 C -0.8102 0.5937 0.2054 C.ar 1 UNL1111111111 -0.0667 11 C -3.7768 -1.8523 -0.0119 C.3 1 UNL1111111111 -0.2606 12 C 1.2746 1.1870 -0.8633 C.ar 1 UNL1111111111 -0.2816 13 C 1.0889 1.1704 1.5774 C.ar 1 UNL1111111111 -0.2371 14 C -3.2463 1.0767 0.0042 C.ar 1 UNL1111111111 0.0243 15 C -0.0662 0.8167 -0.9527 C.ar 1 UNL1111111111 -0.0831 16 C -0.2413 0.7972 1.4682 C.ar 1 UNL1111111111 -0.0872 17 C -1.2925 -2.2035 0.1337 C.ar 1 UNL1111111111 0.0053 18 C -4.1616 -2.1172 -1.4686 C.3 1 UNL1111111111 -0.4246 19 C -3.6366 1.5643 -1.2455 C.ar 1 UNL1111111111 -0.1598 20 C -3.8749 1.5313 1.1649 C.ar 1 UNL1111111111 -0.1622 21 C -0.8761 -2.6729 1.3812 C.ar 1 UNL1111111111 -0.1599 22 C -0.6409 -2.6234 -1.0272 C.ar 1 UNL1111111111 -0.1568 23 C -4.6724 2.4915 -1.3324 C.ar 1 UNL1111111111 -0.1409 24 C -4.9095 2.4593 1.0715 C.ar 1 UNL1111111111 -0.1405 25 C 0.1900 -3.5641 1.4665 C.ar 1 UNL1111111111 -0.1403 26 C 0.4233 -3.5154 -0.9363 C.ar 1 UNL1111111111 -0.1427 27 C -5.3122 2.9338 -0.1756 C.ar 1 UNL1111111111 -0.1608 28 C 0.8387 -3.9877 0.3079 C.ar 1 UNL1111111111 -0.1587 29 H 8.5437 1.0419 -0.9760 H 1 UNL1111111111 0.1685 30 H 8.0881 0.9215 0.7593 H 1 UNL1111111111 0.1488 31 H 6.5628 -1.1362 0.2185 H 1 UNL1111111111 0.1507 32 H 7.0246 -1.0201 -1.5156 H 1 UNL1111111111 0.1676 33 H 5.7085 2.4030 0.6148 H 1 UNL1111111111 0.1571 34 H 5.3583 0.7635 1.2171 H 1 UNL1111111111 0.1424 35 H 3.9989 2.2311 -1.1572 H 1 UNL1111111111 0.1400 36 H 3.8416 0.4431 -0.9217 H 1 UNL1111111111 0.1397 37 H -3.8113 -2.7968 0.5692 H 1 UNL1111111111 0.1493 38 H -4.5270 -1.1855 0.4635 H 1 UNL1111111111 0.1536 39 H 1.8519 1.3558 -1.7655 H 1 UNL1111111111 0.1643 40 H 1.5585 1.3299 2.5439 H 1 UNL1111111111 0.1700 41 H -0.5312 0.6867 -1.9288 H 1 UNL1111111111 0.1514 42 H -0.8472 0.6439 2.3622 H 1 UNL1111111111 0.1541 43 H -4.1862 -1.1854 -2.0469 H 1 UNL1111111111 0.1479 44 H -5.1543 -2.5749 -1.5351 H 1 UNL1111111111 0.1420 45 H -3.4481 -2.7948 -1.9525 H 1 UNL1111111111 0.1467 46 H -3.1321 1.2165 -2.1435 H 1 UNL1111111111 0.1537 47 H -3.5550 1.1587 2.1358 H 1 UNL1111111111 0.1553 48 H -1.3800 -2.3333 2.2823 H 1 UNL1111111111 0.1543 49 H -0.9612 -2.2457 -1.9958 H 1 UNL1111111111 0.1540 50 H -4.9821 2.8702 -2.3040 H 1 UNL1111111111 0.1468 51 H -5.4048 2.8123 1.9733 H 1 UNL1111111111 0.1467 52 H 0.5186 -3.9249 2.4383 H 1 UNL1111111111 0.1476 53 H 0.9390 -3.8414 -1.8389 H 1 UNL1111111111 0.1474 54 H -6.1248 3.6526 -0.2456 H 1 UNL1111111111 0.1463 55 H 1.6700 -4.6848 0.3767 H 1 UNL1111111111 0.1469 @BOND 1 1 6 1 2 1 7 1 3 2 3 1 4 2 4 1 5 2 5 1 6 3 4 1 7 3 29 1 8 3 30 1 9 4 31 1 10 4 32 1 11 5 6 1 12 5 33 1 13 5 34 1 14 6 35 1 15 6 36 1 16 7 12 ar 17 7 13 ar 18 8 9 2 19 8 10 1 20 8 14 1 21 9 11 1 22 9 17 1 23 10 15 ar 24 10 16 ar 25 11 18 1 26 11 37 1 27 11 38 1 28 12 15 ar 29 12 39 1 30 13 16 ar 31 13 40 1 32 14 19 ar 33 14 20 ar 34 15 41 1 35 16 42 1 36 17 21 ar 37 17 22 ar 38 18 43 1 39 18 44 1 40 18 45 1 41 19 23 ar 42 19 46 1 43 20 24 ar 44 20 47 1 45 21 25 ar 46 21 48 1 47 22 26 ar 48 22 49 1 49 23 27 ar 50 23 50 1 51 24 27 ar 52 24 51 1 53 25 28 ar 54 25 52 1 55 26 28 ar 56 26 53 1 57 27 54 1 58 28 55 1