@MOLECULE (e)-2-(5-chloro-2-thienyl)-n-[(3s)-1-{4-[(1r)-1-(dimethylamino)ethyl]-2-fluorophenyl}-2-oxo-3-pyrrolidinyl]ethenesulfonamide 53 55 0 0 0 SMALL GASTEIGER @ATOM 1 CL 1.4168 -5.3151 0.5033 Cl 1 UNL1111111111111 -0.0057 2 C 2.4440 -4.0663 0.0478 C.ar 1 UNL1111111111111 -0.1855 3 C 3.6625 -4.2375 -0.5464 C.ar 1 UNL1111111111111 -0.1937 4 C 4.3031 -2.9922 -0.8299 C.ar 1 UNL1111111111111 -0.1587 5 S 2.0592 -2.3898 0.2843 S.2 1 UNL1111111111111 0.3504 6 C 3.5716 -1.8980 -0.4391 C.ar 1 UNL1111111111111 -0.1855 7 C 3.9400 -0.5126 -0.6107 C.2 1 UNL1111111111111 -0.0062 8 C 3.6181 0.4563 0.2522 C.2 1 UNL1111111111111 -0.4944 9 S 3.9941 2.1303 -0.0195 S.O2 1 UNL1111111111111 2.3717 10 O 4.1832 2.8041 1.2420 O.2 1 UNL1111111111111 -0.9090 11 O 4.9510 2.2572 -1.0958 O.2 1 UNL1111111111111 -0.9179 12 N 2.5145 2.7606 -0.7076 N.3 1 UNL1111111111111 -0.8884 13 C 1.4587 3.2340 0.1749 C.3 1 UNL1111111111111 0.0322 14 C 0.5421 4.2917 -0.4808 C.3 1 UNL1111111111111 -0.3261 15 C -0.9092 3.8133 -0.2289 C.3 1 UNL1111111111111 -0.0640 16 C 0.5222 2.0304 0.4508 C.2 1 UNL1111111111111 0.5710 17 O 0.8514 0.9464 0.8614 O.2 1 UNL1111111111111 -0.5142 18 N -0.7917 2.4022 0.1853 N.am 1 UNL1111111111111 -0.4815 19 C -1.8696 1.5005 0.1187 C.ar 1 UNL1111111111111 0.1279 20 C -3.1909 1.8669 0.4348 C.ar 1 UNL1111111111111 0.1092 21 F -3.4638 3.1127 0.7926 F 1 UNL1111111111111 -0.1670 22 C -1.6423 0.1647 -0.2533 C.ar 1 UNL1111111111111 -0.1608 23 C -2.6882 -0.7497 -0.2919 C.ar 1 UNL1111111111111 -0.1742 24 C -3.9891 -0.3594 0.0297 C.ar 1 UNL1111111111111 -0.0152 25 C -4.2452 0.9625 0.3922 C.ar 1 UNL1111111111111 -0.1771 26 C -5.1052 -1.3843 0.0263 C.3 1 UNL1111111111111 0.0562 27 C -5.3667 -1.7768 1.4924 C.3 1 UNL1111111111111 -0.4548 28 N -6.3246 -0.7784 -0.5863 N.3 1 UNL1111111111111 -0.4000 29 C -6.0769 -0.4444 -2.0081 C.3 1 UNL1111111111111 -0.2854 30 C -7.4934 -1.6782 -0.4823 C.3 1 UNL1111111111111 -0.2789 31 H 4.1134 -5.1899 -0.7882 H 1 UNL1111111111111 0.1798 32 H 5.2748 -2.9440 -1.3017 H 1 UNL1111111111111 0.1708 33 H 4.5232 -0.3099 -1.5270 H 1 UNL1111111111111 0.1779 34 H 3.0595 0.2678 1.1783 H 1 UNL1111111111111 0.2144 35 H 2.5887 3.2488 -1.5920 H 1 UNL1111111111111 0.3140 36 H 1.8563 3.6105 1.1588 H 1 UNL1111111111111 0.1828 37 H 0.7124 5.2934 -0.0534 H 1 UNL1111111111111 0.1607 38 H 0.7357 4.3834 -1.5641 H 1 UNL1111111111111 0.1583 39 H -1.3756 4.4135 0.5836 H 1 UNL1111111111111 0.1552 40 H -1.5422 3.9110 -1.1334 H 1 UNL1111111111111 0.1489 41 H -0.6299 -0.1624 -0.5055 H 1 UNL1111111111111 0.1884 42 H -5.2677 1.2699 0.6355 H 1 UNL1111111111111 0.1989 43 H -2.4810 -1.7823 -0.5739 H 1 UNL1111111111111 0.1643 44 H -4.7827 -2.2973 -0.5417 H 1 UNL1111111111111 0.1187 45 H -5.8780 -0.9661 2.0283 H 1 UNL1111111111111 0.1654 46 H -5.9838 -2.6759 1.5716 H 1 UNL1111111111111 0.1433 47 H -4.4239 -1.9740 2.0163 H 1 UNL1111111111111 0.1552 48 H -5.8584 -1.3107 -2.6489 H 1 UNL1111111111111 0.1185 49 H -6.9615 0.0760 -2.4106 H 1 UNL1111111111111 0.1459 50 H -5.2317 0.2617 -2.0764 H 1 UNL1111111111111 0.1533 51 H -7.8065 -1.7350 0.5736 H 1 UNL1111111111111 0.1492 52 H -8.3397 -1.2431 -1.0389 H 1 UNL1111111111111 0.1442 53 H -7.3206 -2.6973 -0.8567 H 1 UNL1111111111111 0.1177 @BOND 1 1 2 1 2 2 3 ar 3 2 5 ar 4 3 4 ar 5 3 31 1 6 4 6 ar 7 4 32 1 8 5 6 ar 9 6 7 1 10 7 8 2 11 7 33 1 12 8 9 1 13 8 34 1 14 9 10 2 15 9 11 2 16 9 12 1 17 12 13 1 18 12 35 1 19 13 14 1 20 13 16 1 21 13 36 1 22 14 15 1 23 14 37 1 24 14 38 1 25 15 18 1 26 15 39 1 27 15 40 1 28 16 17 2 29 16 18 am 30 18 19 1 31 19 20 ar 32 19 22 ar 33 20 21 1 34 20 25 ar 35 22 23 ar 36 22 41 1 37 23 24 ar 38 23 43 1 39 24 25 ar 40 24 26 1 41 25 42 1 42 26 27 1 43 26 28 1 44 26 44 1 45 27 45 1 46 27 46 1 47 27 47 1 48 28 29 1 49 28 30 1 50 29 48 1 51 29 49 1 52 29 50 1 53 30 51 1 54 30 52 1 55 30 53 1