@MOLECULE (2S)-N-[(1S)-2-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-[(5-fluoroimidazol-3-ium-4-ylium-4-yl)methyl]-2-oxo-ethyl]-5-oxo-pyrrolidine-2-carboxamide 48 50 0 0 0 SMALL GASTEIGER @ATOM 1 F -2.4271 3.0894 1.6820 F 1 UNL111111111 -0.1113 2 O 1.0289 -0.9789 1.2824 O.2 1 UNL111111111 -0.5484 3 O 4.2103 0.3133 1.4270 O.2 1 UNL111111111 -0.5043 4 O -1.4606 -0.8374 -1.5672 O.2 1 UNL111111111 -0.5268 5 O -3.5759 -4.5980 -1.0362 O.2 1 UNL111111111 -0.5065 6 N 2.3049 -0.3873 -0.4609 N.am 1 UNL111111111 -0.4816 7 N -1.1671 0.2534 0.3921 N.am 1 UNL111111111 -0.5743 8 N -3.5612 -2.3341 -0.7680 N.am 1 UNL111111111 -0.5878 9 N 5.0908 -1.7509 1.5816 N.am 1 UNL111111111 -0.7035 10 N -0.3638 3.9657 -0.9974 N.ar 1 UNL111111111 -0.3534 11 N -2.3933 4.5070 -0.1778 N.ar 1 UNL111111111 -0.3877 12 C 3.3357 -1.3671 -0.1126 C.3 1 UNL111111111 0.0190 13 C 4.1777 -1.5496 -1.3929 C.3 1 UNL111111111 -0.2835 14 C 2.6317 0.3590 -1.6823 C.3 1 UNL111111111 -0.0491 15 C 3.8982 -0.3101 -2.2628 C.3 1 UNL111111111 -0.2752 16 C 0.1132 0.7852 -0.0739 C.3 1 UNL111111111 0.0192 17 C 1.1916 -0.2488 0.3221 C.2 1 UNL111111111 0.5459 18 C -3.0471 -1.3487 0.1813 C.3 1 UNL111111111 0.0050 19 C 4.2180 -0.8291 1.0288 C.2 1 UNL111111111 0.5607 20 C 0.4091 2.1463 0.5937 C.3 1 UNL111111111 -0.2742 21 C -2.7328 -2.1452 1.4779 C.3 1 UNL111111111 -0.2805 22 C -1.8166 -0.6598 -0.4207 C.2 1 UNL111111111 0.5403 23 C -2.8993 -3.6304 1.1112 C.3 1 UNL111111111 -0.3560 24 C -3.3702 -3.6426 -0.3303 C.2 1 UNL111111111 0.5958 25 C -0.5523 3.1666 0.1386 C.ar 1 UNL111111111 -0.0383 26 C -1.8144 3.5331 0.6162 C.ar 1 UNL111111111 0.2144 27 C -1.5013 4.7597 -1.1526 C.ar 1 UNL111111111 0.0919 28 H 2.8373 -2.3209 0.2157 H 1 UNL111111111 0.1776 29 H 3.8838 -2.4726 -1.9237 H 1 UNL111111111 0.1566 30 H 5.2536 -1.6496 -1.1722 H 1 UNL111111111 0.1544 31 H 2.8229 1.4260 -1.4406 H 1 UNL111111111 0.1345 32 H 1.7814 0.3031 -2.3979 H 1 UNL111111111 0.1457 33 H 4.7546 0.3864 -2.2353 H 1 UNL111111111 0.1491 34 H 3.7564 -0.5881 -3.3202 H 1 UNL111111111 0.1500 35 H 0.0689 0.9042 -1.1922 H 1 UNL111111111 0.1831 36 H -3.8326 -0.5695 0.3684 H 1 UNL111111111 0.1722 37 H 1.4640 2.4398 0.3925 H 1 UNL111111111 0.1730 38 H 0.3695 2.0415 1.7045 H 1 UNL111111111 0.1906 39 H -3.4277 -1.8487 2.2833 H 1 UNL111111111 0.1555 40 H -1.7119 -1.9487 1.8533 H 1 UNL111111111 0.1667 41 H -1.3242 0.2886 1.3915 H 1 UNL111111111 0.3254 42 H -3.6212 -4.1526 1.7659 H 1 UNL111111111 0.1757 43 H -1.9426 -4.1856 1.2008 H 1 UNL111111111 0.1784 44 H -3.6390 -2.0919 -1.7424 H 1 UNL111111111 0.3342 45 H 5.0765 -2.7191 1.3569 H 1 UNL111111111 0.3030 46 H 5.6796 -1.4774 2.3435 H 1 UNL111111111 0.3139 47 H 0.4524 3.9629 -1.5646 H 1 UNL111111111 0.3176 48 H -1.6306 5.4673 -1.9543 H 1 UNL111111111 0.1929 @BOND 1 1 26 1 2 2 17 2 3 3 19 2 4 4 22 2 5 5 24 2 6 6 12 1 7 6 14 1 8 6 17 am 9 7 16 1 10 7 22 am 11 7 41 1 12 8 18 1 13 8 24 am 14 8 44 1 15 9 19 am 16 9 45 1 17 9 46 1 18 10 25 ar 19 10 27 ar 20 10 47 1 21 11 26 ar 22 11 27 ar 23 12 13 1 24 12 19 1 25 12 28 1 26 13 15 1 27 13 29 1 28 13 30 1 29 14 15 1 30 14 31 1 31 14 32 1 32 15 33 1 33 15 34 1 34 16 17 1 35 16 20 1 36 16 35 1 37 18 21 1 38 18 22 1 39 18 36 1 40 20 25 1 41 20 37 1 42 20 38 1 43 21 23 1 44 21 39 1 45 21 40 1 46 23 24 1 47 23 42 1 48 23 43 1 49 25 26 ar 50 27 48 1