@MOLECULE d-phenylalanyl-n-[(4-chloro-2-pyridinyl)methyl]-l-prolinamide 50 52 0 0 0 SMALL GASTEIGER @ATOM 1 N -2.9765 2.2839 -0.3900 N.3 1 UNL111111111 -0.6099 2 C -2.9700 0.8531 -0.0632 C.3 1 UNL111111111 -0.0002 3 C -1.5417 0.4142 0.3185 C.2 1 UNL111111111 0.5188 4 O -0.7195 1.2507 0.6744 O.2 1 UNL111111111 -0.5966 5 C -3.9457 0.5722 1.1015 C.3 1 UNL111111111 -0.2980 6 C -5.3339 0.4011 0.5598 C.ar 1 UNL111111111 0.0148 7 C -5.8587 -0.8737 0.3430 C.ar 1 UNL111111111 -0.1803 8 C -6.0981 1.5282 0.2466 C.ar 1 UNL111111111 -0.1375 9 C -7.1424 -1.0189 -0.1815 C.ar 1 UNL111111111 -0.1431 10 C -7.3825 1.3797 -0.2720 C.ar 1 UNL111111111 -0.1447 11 C -7.9052 0.1059 -0.4872 C.ar 1 UNL111111111 -0.1629 12 N -1.1682 -0.8913 0.1637 N.am 1 UNL111111111 -0.4957 13 C 0.2193 -1.3309 0.3794 C.3 1 UNL111111111 0.0182 14 C 1.1353 -0.7653 -0.7305 C.2 1 UNL111111111 0.5511 15 O 1.4494 -1.4007 -1.7137 O.2 1 UNL111111111 -0.5367 16 C 0.1947 -2.8717 0.3005 C.3 1 UNL111111111 -0.2841 17 C -1.2825 -3.2710 0.4340 C.3 1 UNL111111111 -0.2785 18 C -2.0766 -2.0337 -0.0322 C.3 1 UNL111111111 -0.0554 19 C 2.6437 1.0736 -1.3668 C.3 1 UNL111111111 -0.0728 20 C 3.9706 1.1309 -0.6346 C.ar 1 UNL111111111 0.1913 21 C 5.4291 2.4209 0.6293 C.ar 1 UNL111111111 0.0819 22 C 6.3109 1.3462 0.8043 C.ar 1 UNL111111111 -0.2760 23 C 5.9614 0.1408 0.2087 C.ar 1 UNL111111111 0.0835 24 C 4.7906 -0.0034 -0.5204 C.ar 1 UNL111111111 -0.2589 25 N 1.6600 0.4749 -0.4624 N.am 1 UNL111111111 -0.5815 26 N 4.2880 2.3159 -0.0770 N.ar 1 UNL111111111 -0.3885 27 CL 6.9995 -1.2016 0.3834 Cl 1 UNL111111111 -0.0663 28 H -2.7077 2.8484 0.4050 H 1 UNL111111111 0.2629 29 H -2.3367 2.4893 -1.1452 H 1 UNL111111111 0.2594 30 H -3.2985 0.2887 -0.9796 H 1 UNL111111111 0.1697 31 H -3.9164 1.4111 1.8314 H 1 UNL111111111 0.1708 32 H -3.6245 -0.3140 1.6833 H 1 UNL111111111 0.1502 33 H -5.2748 -1.7578 0.5829 H 1 UNL111111111 0.1423 34 H -5.6754 2.5236 0.3908 H 1 UNL111111111 0.1682 35 H -7.5495 -2.0131 -0.3504 H 1 UNL111111111 0.1442 36 H -7.9752 2.2592 -0.5118 H 1 UNL111111111 0.1483 37 H -8.9056 -0.0089 -0.8979 H 1 UNL111111111 0.1476 38 H 0.5773 -0.9803 1.3827 H 1 UNL111111111 0.1650 39 H 0.6044 -3.2222 -0.6724 H 1 UNL111111111 0.1840 40 H 0.8248 -3.3269 1.0793 H 1 UNL111111111 0.1507 41 H -1.5194 -4.1584 -0.1735 H 1 UNL111111111 0.1502 42 H -1.5276 -3.5308 1.4775 H 1 UNL111111111 0.1455 43 H -2.3454 -2.1112 -1.1077 H 1 UNL111111111 0.1476 44 H -3.0103 -1.9053 0.5532 H 1 UNL111111111 0.1387 45 H 2.3122 2.0985 -1.6651 H 1 UNL111111111 0.1698 46 H 2.7368 0.4735 -2.3066 H 1 UNL111111111 0.1828 47 H 5.6266 3.4070 1.0690 H 1 UNL111111111 0.1760 48 H 7.2247 1.4638 1.3806 H 1 UNL111111111 0.1836 49 H 4.4994 -0.9467 -0.9826 H 1 UNL111111111 0.1987 50 H 1.2498 1.0793 0.2487 H 1 UNL111111111 0.3516 @BOND 1 1 28 1 2 1 29 1 3 2 3 1 4 2 1 1 5 2 30 1 6 3 12 am 7 3 4 2 8 5 2 1 9 5 31 1 10 5 32 1 11 6 5 1 12 7 9 ar 13 7 6 ar 14 7 33 1 15 8 6 ar 16 8 34 1 17 9 11 ar 18 9 35 1 19 10 8 ar 20 10 36 1 21 11 10 ar 22 11 37 1 23 13 14 1 24 13 16 1 25 13 12 1 26 13 38 1 27 14 25 am 28 14 15 2 29 16 17 1 30 16 39 1 31 16 40 1 32 17 18 1 33 17 41 1 34 17 42 1 35 18 12 1 36 18 43 1 37 18 44 1 38 19 20 1 39 19 25 1 40 19 45 1 41 19 46 1 42 20 24 ar 43 20 26 ar 44 21 22 ar 45 21 26 ar 46 21 47 1 47 22 23 ar 48 22 48 1 49 23 24 ar 50 23 27 1 51 24 49 1 52 25 50 1