@MOLECULE methyl 4-{[(2z)-2-cyano-3-hydroxy-2-pentenoyl]amino}-4'-fluoro-2-biphenylcarboxylate 44 45 0 0 0 SMALL GASTEIGER @ATOM 1 C -4.0754 0.5863 -1.0224 C.ar 1 UNL1111111111 -0.0891 2 C -3.3377 0.7897 0.1483 C.ar 1 UNL1111111111 -0.0643 3 C -5.4661 0.5770 -0.9814 C.ar 1 UNL1111111111 -0.2230 4 C -3.9870 0.9866 1.3704 C.ar 1 UNL1111111111 -0.0998 5 C -6.0854 0.7724 0.2522 C.ar 1 UNL1111111111 0.2062 6 C -5.3774 0.9785 1.4350 C.ar 1 UNL1111111111 -0.2302 7 C -1.8718 0.7819 0.1017 C.ar 1 UNL1111111111 -0.0257 8 C -1.1682 -0.3772 -0.2314 C.ar 1 UNL1111111111 -0.0706 9 C -1.1533 1.9428 0.4026 C.ar 1 UNL1111111111 -0.1047 10 C 0.2208 -0.4067 -0.2619 C.ar 1 UNL1111111111 -0.1753 11 C 0.2343 1.9422 0.3678 C.ar 1 UNL1111111111 -0.2279 12 C 0.9311 0.7649 0.0331 C.ar 1 UNL1111111111 0.2243 13 F -7.4094 0.7605 0.3035 F 1 UNL1111111111 -0.1770 14 C -1.9100 -1.6138 -0.5766 C.2 1 UNL1111111111 0.5937 15 O -2.0041 -2.4011 0.5239 O.3 1 UNL1111111111 -0.3835 16 O -2.3782 -1.9136 -1.6430 O.2 1 UNL1111111111 -0.4813 17 C -2.7095 -3.6266 0.3499 C.3 1 UNL1111111111 -0.1770 18 N 2.3405 0.8272 0.0271 N.am 1 UNL1111111111 -0.5660 19 C 3.1811 -0.1576 -0.4950 C.2 1 UNL1111111111 0.6396 20 C 4.6289 0.1937 -0.4094 C.2 1 UNL1111111111 -0.3672 21 O 2.7781 -1.1837 -0.9810 O.2 1 UNL1111111111 -0.4536 22 C 5.4502 -0.4697 0.4443 C.2 1 UNL1111111111 0.4127 23 C 5.0935 1.1643 -1.3142 C.1 1 UNL1111111111 0.1510 24 N 5.4709 1.9700 -2.0566 N.1 1 UNL1111111111 -0.2502 25 O 4.8517 -1.3302 1.2853 O.2 1 UNL1111111111 -0.4271 26 C 6.9295 -0.3174 0.5531 C.3 1 UNL1111111111 -0.3412 27 C 7.2876 0.4243 1.8385 C.3 1 UNL1111111111 -0.4262 28 H -3.5553 0.4214 -1.9705 H 1 UNL1111111111 0.1786 29 H -6.0474 0.4143 -1.8873 H 1 UNL1111111111 0.1775 30 H -3.4006 1.1359 2.2771 H 1 UNL1111111111 0.1601 31 H -5.8916 1.1258 2.3819 H 1 UNL1111111111 0.1724 32 H -1.6917 2.8558 0.6592 H 1 UNL1111111111 0.1614 33 H 0.7397 -1.3377 -0.5122 H 1 UNL1111111111 0.2075 34 H 0.7781 2.8561 0.5951 H 1 UNL1111111111 0.1578 35 H -2.7694 -4.0216 1.3701 H 1 UNL1111111111 0.1453 36 H -3.7073 -3.4437 -0.0636 H 1 UNL1111111111 0.1425 37 H -2.1380 -4.2913 -0.3059 H 1 UNL1111111111 0.1410 38 H 2.7610 1.6734 0.3981 H 1 UNL1111111111 0.3165 39 H 7.4303 -1.3102 0.5172 H 1 UNL1111111111 0.1730 40 H 7.3418 0.2302 -0.3272 H 1 UNL1111111111 0.1894 41 H 6.8702 1.4414 1.8481 H 1 UNL1111111111 0.1615 42 H 6.9234 -0.0878 2.7363 H 1 UNL1111111111 0.1476 43 H 8.3763 0.5297 1.9434 H 1 UNL1111111111 0.1605 44 H 5.4902 -1.8172 1.8711 H 1 UNL1111111111 0.3409 @BOND 1 1 3 ar 2 1 28 1 3 2 1 ar 4 3 29 1 5 4 2 ar 6 4 6 ar 7 4 30 1 8 5 3 ar 9 5 13 1 10 6 5 ar 11 6 31 1 12 7 2 1 13 7 8 ar 14 8 14 1 15 9 7 ar 16 9 32 1 17 10 8 ar 18 10 33 1 19 11 9 ar 20 11 12 ar 21 11 34 1 22 12 10 ar 23 14 16 2 24 14 15 1 25 15 17 1 26 17 35 1 27 17 36 1 28 17 37 1 29 18 12 1 30 18 38 1 31 19 18 am 32 19 20 1 33 20 22 2 34 21 19 2 35 22 26 1 36 22 25 1 37 23 20 1 38 24 23 3 39 25 44 1 40 26 27 1 41 26 39 1 42 26 40 1 43 27 41 1 44 27 42 1 45 27 43 1