@MOLECULE 2-{4-[(1z)-1-(4-iodophenyl)-2-phenyl-1-buten-1-yl]phenoxy}-n,n-dimethylethanamine 57 59 0 0 0 SMALL USER_CHARGES @ATOM 1 I -4.9711 2.2108 0.1234 I 1 UNL111111 -0.0333 2 O 5.3677 1.1980 -0.8913 O.3 1 UNL111111 -0.3551 3 N 8.7006 1.0826 0.5758 N.3 1 UNL111111 -0.3840 4 C 0.3696 -1.1828 -0.2588 C.2 1 UNL111111 -0.0772 5 C 0.2693 -2.5209 -0.2040 C.2 1 UNL111111 0.0057 6 C 1.6416 -0.4695 -0.4023 C.ar 1 UNL111111 -0.0608 7 C 1.4313 -3.4569 -0.3305 C.3 1 UNL111111 -0.2563 8 C -0.8269 -0.3323 -0.1700 C.ar 1 UNL111111 0.0215 9 C -1.0443 -3.1597 -0.0198 C.ar 1 UNL111111 -0.0093 10 C 2.1440 -0.1690 -1.6729 C.ar 1 UNL111111 -0.0895 11 C 2.3472 -0.1005 0.7432 C.ar 1 UNL111111 -0.0818 12 C 2.0005 -3.7743 1.0531 C.3 1 UNL111111 -0.4258 13 C 4.1211 0.7138 -0.6438 C.ar 1 UNL111111 0.2585 14 C 3.3880 0.4277 -1.8061 C.ar 1 UNL111111 -0.2436 15 C 3.5933 0.5084 0.6317 C.ar 1 UNL111111 -0.2932 16 C -1.2886 0.0940 1.0771 C.ar 1 UNL111111 -0.1456 17 C -1.5242 -0.0115 -1.3367 C.ar 1 UNL111111 -0.1442 18 C -1.7878 -3.5111 -1.1461 C.ar 1 UNL111111 -0.1602 19 C -1.5549 -3.3880 1.2593 C.ar 1 UNL111111 -0.1555 20 C 7.6603 1.3184 -0.4532 C.3 1 UNL111111 -0.1442 21 C 6.2794 1.1738 0.2109 C.3 1 UNL111111 -0.0497 22 C -2.4727 0.8210 1.1646 C.ar 1 UNL111111 -0.1456 23 C -2.7087 0.7150 -1.2564 C.ar 1 UNL111111 -0.1461 24 C -3.0420 -4.0979 -0.9959 C.ar 1 UNL111111 -0.1397 25 C -2.8094 -3.9769 1.4056 C.ar 1 UNL111111 -0.1415 26 C -3.1656 1.1169 -0.0046 C.ar 1 UNL111111 -0.0637 27 C -3.5498 -4.3342 0.2801 C.ar 1 UNL111111 -0.1539 28 C 10.0429 1.0758 -0.0473 C.3 1 UNL111111 -0.2806 29 C 8.6367 2.0835 1.6608 C.3 1 UNL111111 -0.2857 30 H 2.2297 -3.0158 -0.9651 H 1 UNL111111 0.1563 31 H 1.1182 -4.3950 -0.8366 H 1 UNL111111 0.1488 32 H 1.5589 -0.4213 -2.5596 H 1 UNL111111 0.1562 33 H 1.9250 -0.2953 1.7254 H 1 UNL111111 0.1520 34 H 2.3713 -2.8662 1.5436 H 1 UNL111111 0.1487 35 H 2.8382 -4.4784 0.9879 H 1 UNL111111 0.1426 36 H 1.2414 -4.2264 1.7049 H 1 UNL111111 0.1455 37 H 3.8067 0.6675 -2.7777 H 1 UNL111111 0.1707 38 H 4.1330 0.8039 1.5242 H 1 UNL111111 0.1623 39 H -0.7295 -0.1554 1.9770 H 1 UNL111111 0.1609 40 H -1.1478 -0.3449 -2.3033 H 1 UNL111111 0.1623 41 H 7.7407 2.2974 -0.9658 H 1 UNL111111 0.1287 42 H 7.7711 0.5361 -1.2434 H 1 UNL111111 0.1578 43 H -1.3862 -3.3205 -2.1411 H 1 UNL111111 0.1544 44 H -0.9774 -3.1006 2.1348 H 1 UNL111111 0.1537 45 H 6.2082 0.2209 0.7629 H 1 UNL111111 0.1465 46 H 6.0358 2.0243 0.8705 H 1 UNL111111 0.1280 47 H -2.8354 1.1360 2.1424 H 1 UNL111111 0.1647 48 H -3.2569 0.9470 -2.1689 H 1 UNL111111 0.1647 49 H -3.6230 -4.3642 -1.8750 H 1 UNL111111 0.1493 50 H -3.2162 -4.1557 2.4000 H 1 UNL111111 0.1495 51 H -4.5269 -4.7965 0.3985 H 1 UNL111111 0.1494 52 H 10.0791 0.2875 -0.8180 H 1 UNL111111 0.1470 53 H 10.3392 2.0293 -0.5081 H 1 UNL111111 0.1207 54 H 10.7894 0.8094 0.7201 H 1 UNL111111 0.1469 55 H 9.5148 1.9796 2.3182 H 1 UNL111111 0.1446 56 H 8.5815 3.1284 1.3239 H 1 UNL111111 0.1229 57 H 7.7525 1.8667 2.2850 H 1 UNL111111 0.1452 @BOND 1 37 14 1 2 32 10 1 3 40 17 1 4 48 23 1 5 43 18 1 6 49 24 1 7 14 10 ar 8 14 13 ar 9 10 6 ar 10 17 23 ar 11 17 8 ar 12 23 26 ar 13 42 20 1 14 18 24 ar 15 18 9 ar 16 24 27 ar 17 41 20 1 18 30 7 1 19 2 13 1 20 2 21 1 21 31 7 1 22 52 28 1 23 13 15 ar 24 53 28 1 25 20 21 1 26 20 3 1 27 6 4 1 28 6 11 ar 29 7 5 1 30 7 12 1 31 4 5 2 32 4 8 1 33 5 9 1 34 8 16 ar 35 28 3 1 36 28 54 1 37 9 19 ar 38 26 1 1 39 26 22 ar 40 21 45 1 41 21 46 1 42 27 51 1 43 27 25 ar 44 3 29 1 45 15 11 ar 46 15 38 1 47 11 33 1 48 35 12 1 49 12 34 1 50 12 36 1 51 16 22 ar 52 16 39 1 53 22 47 1 54 19 25 ar 55 19 44 1 56 56 29 1 57 25 50 1 58 29 57 1 59 29 55 1