@MOLECULE d-phenylalanyl-n-[(4-chloro-3-pyridinyl)methyl]-l-prolinamide 50 52 0 0 0 SMALL GASTEIGER @ATOM 1 N 3.0969 -2.4354 -0.3695 N.3 1 UNL111111111 -0.6169 2 C 2.9402 -1.0047 -0.0637 C.3 1 UNL111111111 -0.0014 3 C 1.5179 -0.7400 0.4622 C.2 1 UNL111111111 0.5139 4 O 0.8358 -1.6480 0.9080 O.2 1 UNL111111111 -0.5728 5 C 3.9561 -0.5702 1.0162 C.3 1 UNL111111111 -0.2966 6 C 5.2971 -0.2860 0.4096 C.ar 1 UNL111111111 0.0132 7 C 5.8178 1.0091 0.4181 C.ar 1 UNL111111111 -0.1783 8 C 6.0379 -1.3272 -0.1554 C.ar 1 UNL111111111 -0.1414 9 C 7.0769 1.2575 -0.1268 C.ar 1 UNL111111111 -0.1483 10 C 7.2951 -1.0765 -0.6965 C.ar 1 UNL111111111 -0.1490 11 C 7.8183 0.2163 -0.6805 C.ar 1 UNL111111111 -0.1638 12 N 1.0230 0.5383 0.4688 N.am 1 UNL111111111 -0.4935 13 C -0.3758 0.7840 0.8430 C.3 1 UNL111111111 0.0202 14 C -1.2992 0.2457 -0.2693 C.2 1 UNL111111111 0.5547 15 O -1.2823 0.6796 -1.4013 O.2 1 UNL111111111 -0.5232 16 C -0.5019 2.3199 0.8952 C.3 1 UNL111111111 -0.2709 17 C 0.5446 2.8225 -0.1167 C.3 1 UNL111111111 -0.2724 18 C 1.6150 1.7105 -0.2015 C.3 1 UNL111111111 -0.0516 19 N -2.1832 -0.7368 0.1194 N.am 1 UNL111111111 -0.5904 20 C -3.1685 -1.2537 -0.8316 C.3 1 UNL111111111 -0.0558 21 C -4.5650 -0.9707 -0.3519 C.ar 1 UNL111111111 -0.1432 22 C -5.4597 -2.0306 -0.1221 C.ar 1 UNL111111111 0.0550 23 N -6.7298 -1.8442 0.2765 N.ar 1 UNL111111111 -0.3685 24 C -7.1740 -0.5886 0.4725 C.ar 1 UNL111111111 0.0683 25 C -6.3605 0.5356 0.2798 C.ar 1 UNL111111111 -0.2684 26 C -5.0521 0.3155 -0.1340 C.ar 1 UNL111111111 0.0774 27 CL -4.0501 1.6692 -0.3751 Cl 1 UNL111111111 -0.0436 28 H 2.8955 -3.0116 0.4392 H 1 UNL111111111 0.2647 29 H 2.4785 -2.7219 -1.1157 H 1 UNL111111111 0.2579 30 H 3.1196 -0.4270 -1.0089 H 1 UNL111111111 0.1664 31 H 4.0535 -1.3678 1.7858 H 1 UNL111111111 0.1709 32 H 3.5729 0.3113 1.5690 H 1 UNL111111111 0.1537 33 H 5.2491 1.8274 0.8516 H 1 UNL111111111 0.1449 34 H 5.6157 -2.3350 -0.1839 H 1 UNL111111111 0.1791 35 H 7.4819 2.2667 -0.1177 H 1 UNL111111111 0.1434 36 H 7.8702 -1.8900 -1.1335 H 1 UNL111111111 0.1472 37 H 8.8019 0.4105 -1.1007 H 1 UNL111111111 0.1463 38 H -0.5894 0.3021 1.8285 H 1 UNL111111111 0.1657 39 H -1.5167 2.6634 0.6367 H 1 UNL111111111 0.1608 40 H -0.2893 2.6921 1.9117 H 1 UNL111111111 0.1488 41 H 0.0686 2.9718 -1.1065 H 1 UNL111111111 0.1668 42 H 0.9770 3.7867 0.1842 H 1 UNL111111111 0.1418 43 H 2.5496 1.9993 0.3240 H 1 UNL111111111 0.1375 44 H 1.8671 1.4798 -1.2584 H 1 UNL111111111 0.1418 45 H -2.1058 -1.2077 1.0063 H 1 UNL111111111 0.3242 46 H -3.0088 -0.7821 -1.8410 H 1 UNL111111111 0.1933 47 H -3.0041 -2.3489 -0.9785 H 1 UNL111111111 0.1512 48 H -5.1572 -3.0768 -0.2633 H 1 UNL111111111 0.1797 49 H -8.2182 -0.4963 0.7953 H 1 UNL111111111 0.1770 50 H -6.7495 1.5373 0.4482 H 1 UNL111111111 0.1840 @BOND 1 1 28 1 2 1 29 1 3 2 1 1 4 2 3 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 6 7 ar 13 6 8 ar 14 7 9 ar 15 7 33 1 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 12 13 1 24 12 18 1 25 13 14 1 26 13 16 1 27 13 38 1 28 14 15 2 29 14 19 am 30 16 17 1 31 16 39 1 32 16 40 1 33 17 18 1 34 17 41 1 35 17 42 1 36 18 43 1 37 18 44 1 38 19 20 1 39 19 45 1 40 20 21 1 41 20 46 1 42 20 47 1 43 21 22 ar 44 21 26 ar 45 22 23 ar 46 22 48 1 47 23 24 ar 48 24 25 ar 49 24 49 1 50 25 26 ar 51 25 50 1 52 26 27 1