@MOLECULE 5-chloro-n-[(3s,4s)-1-(2-{[2-fluoro-4-(2-oxo-1(2h)-pyridinyl)phenyl]amino}-2-oxoethyl)-4-hydroxy-3-pyrrolidinyl]-2-thiophenecarboxamide 53 56 0 0 0 SMALL GASTEIGER @ATOM 1 F -2.5594 1.7165 -1.7577 F 1 UNL1111111 -0.1253 2 C -2.9877 1.0711 -0.6889 C.ar 1 UNL1111111 0.1663 3 C -4.0561 0.1927 -0.8338 C.ar 1 UNL1111111 -0.1897 4 C -4.4624 -0.5474 0.2817 C.ar 1 UNL1111111 0.1558 5 N -5.5363 -1.4863 0.1580 N.ar 1 UNL1111111 -0.3893 6 C -5.3621 -2.7639 0.6465 C.ar 1 UNL1111111 0.1053 7 C -6.3662 -3.6917 0.5769 C.ar 1 UNL1111111 -0.3390 8 C -7.6178 -3.3363 -0.0026 C.ar 1 UNL1111111 0.0015 9 C -7.8118 -2.0861 -0.4944 C.ar 1 UNL1111111 -0.3420 10 C -6.7710 -1.0791 -0.4541 C.ar 1 UNL1111111 0.5819 11 O -6.8378 0.0504 -0.8822 O.2 1 UNL1111111 -0.4879 12 C -3.8239 -0.3885 1.5186 C.ar 1 UNL1111111 -0.1964 13 C -2.7704 0.5078 1.6470 C.ar 1 UNL1111111 -0.1727 14 C -2.3350 1.2592 0.5454 C.ar 1 UNL1111111 0.1351 15 N -1.2534 2.1473 0.7064 N.am 1 UNL1111111 -0.5619 16 C -1.2055 3.3917 0.0862 C.2 1 UNL1111111 0.5696 17 O -2.1125 3.8114 -0.5909 O.2 1 UNL1111111 -0.4717 18 C 0.0513 4.2222 0.3566 C.3 1 UNL1111111 -0.2072 19 N 1.2139 3.3380 0.5488 N.3 1 UNL1111111 -0.4373 20 C 2.3633 4.0351 1.1839 C.3 1 UNL1111111 -0.1452 21 C 3.6202 3.2654 0.7295 C.3 1 UNL1111111 0.1162 22 O 4.5285 4.2449 0.2832 O.3 1 UNL1111111 -0.5605 23 C 1.7014 2.7597 -0.7330 C.3 1 UNL1111111 -0.1508 24 C 3.1734 2.3677 -0.4703 C.3 1 UNL1111111 0.0286 25 N 3.2792 0.9527 -0.1205 N.am 1 UNL1111111 -0.6042 26 C 4.4352 0.2581 -0.4212 C.2 1 UNL1111111 0.6042 27 O 5.3504 0.8072 -1.0056 O.2 1 UNL1111111 -0.5181 28 C 4.4619 -1.1478 0.0025 C.ar 1 UNL1111111 -0.3090 29 C 4.0808 -1.6588 1.2176 C.ar 1 UNL1111111 -0.1178 30 C 4.2788 -3.0697 1.3169 C.ar 1 UNL1111111 -0.2047 31 S 5.0810 -2.3832 -1.0426 S.2 1 UNL1111111 0.4026 32 C 4.8039 -3.5970 0.1684 C.ar 1 UNL1111111 -0.1605 33 CL 5.1591 -5.2219 -0.0619 Cl 1 UNL1111111 0.0013 34 H -4.5760 0.0932 -1.7921 H 1 UNL1111111 0.2061 35 H -4.1660 -0.9469 2.3889 H 1 UNL1111111 0.1666 36 H -4.3821 -3.0019 1.0787 H 1 UNL1111111 0.1640 37 H -6.2193 -4.6973 0.9548 H 1 UNL1111111 0.1711 38 H -8.4076 -4.0894 -0.0409 H 1 UNL1111111 0.1540 39 H -8.7499 -1.7663 -0.9451 H 1 UNL1111111 0.1886 40 H -2.2897 0.6418 2.6156 H 1 UNL1111111 0.1655 41 H -0.4799 1.8602 1.2993 H 1 UNL1111111 0.3353 42 H 0.1711 4.9583 -0.4725 H 1 UNL1111111 0.1664 43 H -0.1212 4.8196 1.2829 H 1 UNL1111111 0.1726 44 H 1.0635 1.8890 -0.9916 H 1 UNL1111111 0.1619 45 H 1.6404 3.4655 -1.5875 H 1 UNL1111111 0.1460 46 H 2.4567 5.1063 0.9000 H 1 UNL1111111 0.1565 47 H 2.2262 3.9905 2.2823 H 1 UNL1111111 0.1507 48 H 3.8138 2.5813 -1.3684 H 1 UNL1111111 0.1823 49 H 4.0925 2.6828 1.5436 H 1 UNL1111111 0.1321 50 H 5.3471 3.8210 -0.0574 H 1 UNL1111111 0.3343 51 H 2.5102 0.5435 0.3835 H 1 UNL1111111 0.3208 52 H 3.6837 -1.0775 2.0384 H 1 UNL1111111 0.1680 53 H 4.0339 -3.6296 2.2082 H 1 UNL1111111 0.1796 @BOND 1 1 2 1 2 2 3 ar 3 2 14 ar 4 3 4 ar 5 3 34 1 6 4 5 1 7 4 12 ar 8 5 6 ar 9 5 10 ar 10 6 7 ar 11 6 36 1 12 7 8 ar 13 7 37 1 14 8 9 ar 15 8 38 1 16 9 10 ar 17 9 39 1 18 10 11 2 19 12 13 ar 20 12 35 1 21 13 14 ar 22 13 40 1 23 14 15 1 24 15 16 am 25 15 41 1 26 16 17 2 27 16 18 1 28 18 19 1 29 18 42 1 30 18 43 1 31 19 23 1 32 19 20 1 33 20 46 1 34 20 47 1 35 21 20 1 36 21 22 1 37 21 24 1 38 21 49 1 39 22 50 1 40 23 24 1 41 23 44 1 42 23 45 1 43 24 48 1 44 25 26 am 45 25 24 1 46 25 51 1 47 26 27 2 48 26 28 1 49 28 29 ar 50 28 31 ar 51 29 30 ar 52 29 52 1 53 30 32 ar 54 30 53 1 55 31 32 ar 56 32 33 1