@MOLECULE 5-oxo-l-prolyl-n-{[(2s)-1-ethyl-2-pyrrolidinyl]carbonyl}-3-(4h-imidazol-4-yl)-l-alaninamide 54 56 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.4699 1.3625 1.3925 O.2 1 UNL1111111111 -0.3517 2 O -0.0097 0.3599 1.8284 O.2 1 UNL1111111111 -0.4500 3 O 2.2477 0.6751 -1.4000 O.2 1 UNL1111111111 -0.4911 4 O 4.5040 4.4042 -0.8971 O.2 1 UNL1111111111 -0.4985 5 N -4.9073 0.7624 0.0698 N.3 1 UNL1111111111 -0.4147 6 N -1.3626 -0.1119 0.0306 N.am 1 UNL1111111111 -0.6779 7 N 2.2177 -0.5337 0.5158 N.am 1 UNL1111111111 -0.6011 8 N 4.4841 2.1175 -0.7970 N.am 1 UNL1111111111 -0.5949 9 N 1.4196 -3.6945 -1.3241 N.2 1 UNL1111111111 -0.4022 10 N 1.5914 -5.7301 -0.2579 N.2 1 UNL1111111111 -0.3956 11 C -3.6184 0.5443 -0.6245 C.3 1 UNL1111111111 -0.0457 12 C -3.4542 1.6656 -1.6783 C.3 1 UNL1111111111 -0.2774 13 C -4.7811 2.4425 -1.6664 C.3 1 UNL1111111111 -0.2775 14 C -5.7528 1.6005 -0.8198 C.3 1 UNL1111111111 -0.1041 15 C -5.5714 -0.5028 0.4597 C.3 1 UNL1111111111 -0.0953 16 C -2.4898 0.6895 0.4083 C.2 1 UNL1111111111 0.5595 17 C 0.9131 -1.0920 0.1623 C.3 1 UNL1111111111 -0.0045 18 C 4.0680 1.0724 0.1390 C.3 1 UNL1111111111 0.0050 19 C 3.8987 1.7943 1.5073 C.3 1 UNL1111111111 -0.2834 20 C 0.7600 -2.5032 0.7598 C.3 1 UNL1111111111 -0.2885 21 C -6.7673 -0.1733 1.3594 C.3 1 UNL1111111111 -0.4458 22 C -0.1843 -0.1891 0.7720 C.2 1 UNL1111111111 0.5491 23 C 3.8830 3.2945 1.1817 C.3 1 UNL1111111111 -0.3561 24 C 2.7522 0.4338 -0.3281 C.2 1 UNL1111111111 0.5343 25 C 1.7663 -3.4327 0.0938 C.3 1 UNL1111111111 -0.0468 26 C 4.3079 3.3950 -0.2703 C.2 1 UNL1111111111 0.5974 27 C 1.8058 -4.8589 0.6822 C.2 1 UNL1111111111 0.0394 28 C 1.3544 -4.9850 -1.4802 C.2 1 UNL1111111111 0.1778 29 H -3.5759 -0.4595 -1.1147 H 1 UNL1111111111 0.1324 30 H -2.6102 2.3379 -1.4331 H 1 UNL1111111111 0.1617 31 H -3.2345 1.2523 -2.6739 H 1 UNL1111111111 0.1433 32 H -5.1674 2.6110 -2.6821 H 1 UNL1111111111 0.1391 33 H -4.6409 3.4387 -1.2074 H 1 UNL1111111111 0.1554 34 H -6.4284 0.9971 -1.4592 H 1 UNL1111111111 0.1146 35 H -6.3906 2.2396 -0.1723 H 1 UNL1111111111 0.1497 36 H -5.8967 -1.1058 -0.4162 H 1 UNL1111111111 0.1088 37 H -4.8372 -1.1142 1.0285 H 1 UNL1111111111 0.1406 38 H 0.8387 -1.1410 -0.9654 H 1 UNL1111111111 0.2094 39 H 4.8586 0.2806 0.1838 H 1 UNL1111111111 0.1652 40 H 2.9782 1.4998 2.0392 H 1 UNL1111111111 0.1611 41 H 4.7395 1.5412 2.1770 H 1 UNL1111111111 0.1539 42 H -1.3805 -0.6025 -0.8610 H 1 UNL1111111111 0.3167 43 H 0.9144 -2.4841 1.8577 H 1 UNL1111111111 0.1644 44 H -0.2761 -2.8693 0.6103 H 1 UNL1111111111 0.1707 45 H -7.0700 -1.0424 1.9513 H 1 UNL1111111111 0.1450 46 H -7.6343 0.1646 0.7865 H 1 UNL1111111111 0.1400 47 H -6.5034 0.6330 2.0639 H 1 UNL1111111111 0.1730 48 H 2.8736 3.7440 1.3064 H 1 UNL1111111111 0.1853 49 H 4.5545 3.8825 1.8315 H 1 UNL1111111111 0.1774 50 H 2.4765 -0.5818 1.4912 H 1 UNL1111111111 0.3162 51 H 4.5338 1.9293 -1.7854 H 1 UNL1111111111 0.3354 52 H 2.7954 -2.9768 0.1154 H 1 UNL1111111111 0.1996 53 H 2.0055 -5.1066 1.7127 H 1 UNL1111111111 0.1843 54 H 1.1459 -5.5275 -2.3946 H 1 UNL1111111111 0.1968 @BOND 1 1 16 2 2 2 22 2 3 3 24 2 4 4 26 2 5 5 11 1 6 5 14 1 7 5 15 1 8 6 16 am 9 6 22 am 10 6 42 1 11 7 17 1 12 7 24 am 13 7 50 1 14 8 18 1 15 8 26 am 16 8 51 1 17 9 25 1 18 9 28 2 19 10 27 2 20 10 28 1 21 11 12 1 22 11 16 1 23 11 29 1 24 12 13 1 25 12 30 1 26 12 31 1 27 13 14 1 28 13 32 1 29 13 33 1 30 14 34 1 31 14 35 1 32 15 21 1 33 15 36 1 34 15 37 1 35 17 20 1 36 17 22 1 37 17 38 1 38 18 19 1 39 18 24 1 40 18 39 1 41 19 23 1 42 19 40 1 43 19 41 1 44 20 25 1 45 20 43 1 46 20 44 1 47 21 45 1 48 21 46 1 49 21 47 1 50 23 26 1 51 23 48 1 52 23 49 1 53 25 27 1 54 25 52 1 55 27 53 1 56 28 54 1