@MOLECULE 2-(trifluoromethyl)-l-histidyl-n-{[(2s)-5-oxo-2-pyrrolidinyl]carbonyl}-l-prolinamide 51 53 0 0 0 SMALL GASTEIGER @ATOM 1 F 3.8248 3.5663 0.7400 F 1 UNL1111111111 -0.1433 2 F 4.6454 1.7659 1.4911 F 1 UNL1111111111 -0.2043 3 F 5.4319 2.6249 -0.2617 F 1 UNL1111111111 -0.2057 4 O -0.1972 -2.3078 -1.4429 O.2 1 UNL1111111111 -0.5327 5 O -0.5186 0.0557 0.8636 O.2 1 UNL1111111111 -0.3809 6 O -2.7814 1.4345 0.9898 O.2 1 UNL1111111111 -0.3847 7 O -6.5365 2.8931 -0.9924 O.2 1 UNL1111111111 -0.4926 8 N 0.6693 -2.4749 0.6156 N.am 1 UNL1111111111 -0.4916 9 N -2.6282 -0.8467 0.8664 N.am 1 UNL1111111111 -0.6715 10 N -5.4777 1.5438 0.5193 N.am 1 UNL1111111111 -0.5966 11 N 2.2787 -3.7950 -2.1216 N.3 1 UNL1111111111 -0.6357 12 N 3.6312 0.3322 -1.0184 N.ar 1 UNL1111111111 -0.3231 13 N 2.0606 1.9324 -0.7430 N.ar 1 UNL1111111111 -0.2654 14 C -0.6763 -2.3366 1.1889 C.3 1 UNL1111111111 -0.0012 15 C -0.4729 -2.5508 2.7018 C.3 1 UNL1111111111 -0.2755 16 C 0.9918 -2.1557 2.9786 C.3 1 UNL1111111111 -0.2705 17 C 1.6940 -2.0862 1.6032 C.3 1 UNL1111111111 -0.0658 18 C 0.8037 -2.3695 -0.7552 C.2 1 UNL1111111111 0.5208 19 C -1.2178 -0.9131 0.9401 C.2 1 UNL1111111111 0.5438 20 C 2.1960 -2.5265 -1.3838 C.3 1 UNL1111111111 0.0042 21 C -4.8353 0.2323 0.5640 C.3 1 UNL1111111111 -0.0070 22 C -5.1564 -0.4393 -0.8017 C.3 1 UNL1111111111 -0.2791 23 C 2.3857 -1.3729 -2.3978 C.3 1 UNL1111111111 -0.2807 24 C -3.3202 0.3808 0.8019 C.2 1 UNL1111111111 0.5293 25 C -5.9427 0.6029 -1.6109 C.3 1 UNL1111111111 -0.3579 26 C -6.0397 1.8290 -0.7233 C.2 1 UNL1111111111 0.5979 27 C 2.4854 -0.0870 -1.6910 C.ar 1 UNL1111111111 0.0094 28 C 1.5219 0.9183 -1.4993 C.ar 1 UNL1111111111 -0.0541 29 C 3.3264 1.5751 -0.4566 C.ar 1 UNL1111111111 0.0280 30 C 4.2770 2.3784 0.3624 C.3 1 UNL1111111111 0.5591 31 H -1.3422 -3.1072 0.7279 H 1 UNL1111111111 0.1646 32 H -1.1768 -1.9568 3.3086 H 1 UNL1111111111 0.1583 33 H -0.6488 -3.6101 2.9641 H 1 UNL1111111111 0.1510 34 H 1.4821 -2.8844 3.6431 H 1 UNL1111111111 0.1478 35 H 1.0485 -1.1773 3.4890 H 1 UNL1111111111 0.1619 36 H 2.0640 -1.0550 1.4041 H 1 UNL1111111111 0.1553 37 H 2.5490 -2.7870 1.5445 H 1 UNL1111111111 0.1360 38 H 3.0051 -2.4858 -0.6144 H 1 UNL1111111111 0.1447 39 H -5.2707 -0.3559 1.4138 H 1 UNL1111111111 0.1585 40 H -4.2393 -0.7473 -1.3341 H 1 UNL1111111111 0.1638 41 H -5.7511 -1.3555 -0.6527 H 1 UNL1111111111 0.1490 42 H -3.1511 -1.7105 0.7775 H 1 UNL1111111111 0.3119 43 H 1.5270 -1.3707 -3.1140 H 1 UNL1111111111 0.1975 44 H 3.2735 -1.5850 -3.0337 H 1 UNL1111111111 0.1820 45 H -5.4396 0.8652 -2.5595 H 1 UNL1111111111 0.1815 46 H -6.9508 0.2501 -1.8888 H 1 UNL1111111111 0.1745 47 H -5.2282 2.2544 1.1862 H 1 UNL1111111111 0.3363 48 H 1.3820 -4.1381 -2.4277 H 1 UNL1111111111 0.2748 49 H 2.7557 -4.5115 -1.6068 H 1 UNL1111111111 0.2558 50 H 4.5092 -0.1378 -0.9963 H 1 UNL1111111111 0.3204 51 H 0.4990 0.9530 -1.8345 H 1 UNL1111111111 0.2018 @BOND 1 1 30 1 2 2 30 1 3 3 30 1 4 4 18 2 5 5 19 2 6 6 24 2 7 7 26 2 8 8 14 1 9 8 17 1 10 8 18 am 11 9 19 am 12 9 24 am 13 9 42 1 14 10 21 1 15 10 26 am 16 10 47 1 17 11 20 1 18 11 48 1 19 11 49 1 20 12 27 ar 21 12 29 ar 22 12 50 1 23 13 28 ar 24 13 29 ar 25 14 15 1 26 14 19 1 27 14 31 1 28 15 16 1 29 15 32 1 30 15 33 1 31 16 17 1 32 16 34 1 33 16 35 1 34 17 36 1 35 17 37 1 36 18 20 1 37 20 23 1 38 20 38 1 39 21 22 1 40 21 24 1 41 21 39 1 42 22 25 1 43 22 40 1 44 22 41 1 45 23 27 1 46 23 43 1 47 23 44 1 48 25 26 1 49 25 45 1 50 25 46 1 51 27 28 ar 52 28 51 1 53 29 30 1