@MOLECULE n-{[(2s)-6-oxo-2-piperidinyl]carbonyl}-l-histidyl-l-prolinamide 51 53 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.9315 -1.2899 1.4483 O.2 1 UNL1111111111 -0.2276 2 O 4.3516 -1.1696 1.1583 O.2 1 UNL1111111111 -0.3566 3 O -1.6801 -0.3144 -0.9746 O.2 1 UNL1111111111 -0.3150 4 O -5.7477 -0.7736 -1.6408 O.2 1 UNL1111111111 -0.4355 5 N 2.0887 -0.9218 -0.4393 N.am 1 UNL1111111111 -0.1578 6 N -0.9029 0.6794 0.9071 N.am 1 UNL1111111111 -0.8963 7 N -4.3182 0.0441 -0.1315 N.am 1 UNL1111111111 -0.8264 8 N 4.5765 -3.3821 0.8452 N.am 1 UNL1111111111 -0.9437 9 N 1.8430 4.1122 -0.0514 N.ar 1 UNL1111111111 -0.4778 10 N -0.1536 5.1251 -0.2472 N.ar 1 UNL1111111111 -0.3915 11 C 2.7812 -2.2116 -0.3899 C.3 1 UNL1111111111 -0.0428 12 C 3.3367 -2.4163 -1.8195 C.3 1 UNL1111111111 -0.3238 13 C 2.5112 -0.1130 -1.5944 C.3 1 UNL1111111111 -0.2325 14 C 3.5060 -0.9942 -2.3821 C.3 1 UNL1111111111 -0.4556 15 C 0.4392 0.7971 0.3347 C.3 1 UNL1111111111 0.5577 16 C 1.1788 -0.5497 0.5160 C.2 1 UNL1111111111 -0.0571 17 C -3.2589 -0.1094 0.8598 C.3 1 UNL1111111111 0.4357 18 C 3.9462 -2.1702 0.6140 C.2 1 UNL1111111111 0.4099 19 C 1.2299 1.9179 1.0470 C.3 1 UNL1111111111 -1.0931 20 C -3.2811 -1.4680 1.5831 C.3 1 UNL1111111111 -0.6892 21 C -3.5552 -2.5993 0.5910 C.3 1 UNL1111111111 0.0077 22 C -1.8855 0.0338 0.1651 C.2 1 UNL1111111111 0.3038 23 C -4.9134 -2.3823 -0.0710 C.3 1 UNL1111111111 -0.6260 24 C -5.0124 -1.0174 -0.7046 C.2 1 UNL1111111111 0.5498 25 C 0.8881 3.2423 0.4895 C.ar 1 UNL1111111111 0.3197 26 C -0.3424 3.8915 0.3551 C.ar 1 UNL1111111111 -0.1860 27 C 1.1597 5.2522 -0.4865 C.ar 1 UNL1111111111 -0.0553 28 H 2.0544 -3.0134 -0.0942 H 1 UNL1111111111 0.2018 29 H 4.2842 -2.9753 -1.8307 H 1 UNL1111111111 0.1896 30 H 2.6222 -2.9989 -2.4290 H 1 UNL1111111111 0.1864 31 H 2.9880 0.8287 -1.2554 H 1 UNL1111111111 0.1540 32 H 1.6255 0.1457 -2.2164 H 1 UNL1111111111 0.2120 33 H 3.3076 -0.9574 -3.4660 H 1 UNL1111111111 0.1891 34 H 4.5413 -0.6370 -2.2376 H 1 UNL1111111111 0.2237 35 H 0.3291 1.0349 -0.7624 H 1 UNL1111111111 0.1041 36 H -3.3940 0.7156 1.6161 H 1 UNL1111111111 0.1032 37 H -4.0579 -1.4601 2.3722 H 1 UNL1111111111 0.2560 38 H -2.3175 -1.6388 2.1051 H 1 UNL1111111111 0.2311 39 H 1.0268 1.9025 2.1439 H 1 UNL1111111111 0.3725 40 H 2.3195 1.7038 0.9757 H 1 UNL1111111111 0.4035 41 H -0.9652 0.7408 1.9131 H 1 UNL1111111111 0.4617 42 H -3.5245 -3.5829 1.0966 H 1 UNL1111111111 0.1255 43 H -2.7532 -2.6295 -0.1796 H 1 UNL1111111111 0.1309 44 H -5.7378 -2.4935 0.6652 H 1 UNL1111111111 0.2727 45 H -5.1024 -3.1605 -0.8416 H 1 UNL1111111111 0.2182 46 H -4.3202 0.9249 -0.6388 H 1 UNL1111111111 0.3888 47 H 5.3398 -3.4254 1.4916 H 1 UNL1111111111 0.4312 48 H 4.2529 -4.2473 0.4794 H 1 UNL1111111111 0.4303 49 H 2.8226 3.9469 -0.0842 H 1 UNL1111111111 0.4218 50 H -1.3234 3.5597 0.6353 H 1 UNL1111111111 0.2659 51 H 1.6373 6.0980 -0.9467 H 1 UNL1111111111 0.2314 @BOND 1 1 16 2 2 2 18 2 3 3 22 2 4 4 24 2 5 5 11 1 6 5 13 1 7 5 16 am 8 6 15 1 9 6 22 am 10 6 41 1 11 7 17 1 12 7 24 am 13 7 46 1 14 8 18 am 15 8 47 1 16 8 48 1 17 9 25 ar 18 9 27 ar 19 9 49 1 20 10 26 ar 21 10 27 ar 22 11 12 1 23 11 18 1 24 11 28 1 25 12 14 1 26 12 29 1 27 12 30 1 28 13 14 1 29 13 31 1 30 13 32 1 31 14 33 1 32 14 34 1 33 15 16 1 34 15 19 1 35 15 35 1 36 17 20 1 37 17 22 1 38 17 36 1 39 19 25 1 40 19 39 1 41 19 40 1 42 20 21 1 43 20 37 1 44 20 38 1 45 21 23 1 46 21 42 1 47 21 43 1 48 23 24 1 49 23 44 1 50 23 45 1 51 25 26 ar 52 26 50 1 53 27 51 1