@MOLECULE beta-phenyl-d-phenylalanyl-n-(2,5-dichlorobenzyl)-l-prolinamide 61 64 0 0 0 SMALL GASTEIGER @ATOM 1 C 6.3297 1.1532 -1.1061 C.ar 1 UNL1111111111 -0.1700 2 C 7.6565 1.4560 -0.8215 C.ar 1 UNL1111111111 -0.1465 3 C 8.0123 1.9070 0.4496 C.ar 1 UNL1111111111 -0.1618 4 C 7.0326 2.0593 1.4257 C.ar 1 UNL1111111111 -0.1512 5 C 5.7009 1.7550 1.1424 C.ar 1 UNL1111111111 -0.1441 6 C 5.3430 1.2906 -0.1213 C.ar 1 UNL1111111111 0.0056 7 C 3.9311 0.9253 -0.5055 C.3 1 UNL1111111111 -0.1461 8 C 2.8861 1.0682 0.6333 C.3 1 UNL1111111111 -0.0104 9 C 1.5290 0.5813 0.0883 C.2 1 UNL1111111111 0.5195 10 O 0.9251 1.2392 -0.7437 O.2 1 UNL1111111111 -0.5752 11 N 2.7443 2.4716 1.0575 N.3 1 UNL1111111111 -0.6190 12 C 3.8813 -0.5006 -1.0008 C.ar 1 UNL1111111111 -0.0204 13 C 3.0975 -0.8189 -2.1117 C.ar 1 UNL1111111111 -0.1584 14 C 3.0117 -2.1383 -2.5498 C.ar 1 UNL1111111111 -0.1396 15 C 3.7110 -3.1432 -1.8841 C.ar 1 UNL1111111111 -0.1587 16 C 4.5038 -2.8251 -0.7826 C.ar 1 UNL1111111111 -0.1453 17 C 4.5900 -1.5072 -0.3414 C.ar 1 UNL1111111111 -0.1683 18 N 0.9372 -0.5261 0.6318 N.am 1 UNL1111111111 -0.4823 19 C -0.3849 -0.9558 0.1574 C.3 1 UNL1111111111 0.0134 20 C -1.4444 -0.1473 0.9285 C.2 1 UNL1111111111 0.5656 21 O -1.5140 -0.1257 2.1376 O.2 1 UNL1111111111 -0.5160 22 C -0.5148 -2.4535 0.5165 C.3 1 UNL1111111111 -0.2769 23 C 0.8784 -2.8863 1.0081 C.3 1 UNL1111111111 -0.2798 24 C 1.5803 -1.5793 1.4323 C.3 1 UNL1111111111 -0.0582 25 N -2.3494 0.5339 0.1408 N.am 1 UNL1111111111 -0.5951 26 C -3.4738 1.2360 0.7572 C.3 1 UNL1111111111 -0.0651 27 C -4.7895 0.6667 0.2889 C.ar 1 UNL1111111111 -0.0280 28 C -5.1411 -0.6685 0.4825 C.ar 1 UNL1111111111 0.0048 29 C -6.3740 -1.1845 0.0965 C.ar 1 UNL1111111111 -0.1509 30 C -7.2981 -0.3403 -0.5152 C.ar 1 UNL1111111111 -0.1584 31 C -6.9425 0.9874 -0.7205 C.ar 1 UNL1111111111 0.0176 32 C -5.7146 1.5081 -0.3344 C.ar 1 UNL1111111111 -0.1749 33 CL -4.0473 -1.7432 1.2283 Cl 1 UNL1111111111 -0.0537 34 CL -8.0655 2.0260 -1.4819 Cl 1 UNL1111111111 -0.0714 35 H 6.0572 0.7985 -2.0990 H 1 UNL1111111111 0.1549 36 H 8.4174 1.3405 -1.5900 H 1 UNL1111111111 0.1466 37 H 9.0494 2.1429 0.6729 H 1 UNL1111111111 0.1447 38 H 7.3026 2.4230 2.4145 H 1 UNL1111111111 0.1441 39 H 4.9448 1.9120 1.9142 H 1 UNL1111111111 0.1792 40 H 3.6210 1.6243 -1.3351 H 1 UNL1111111111 0.1806 41 H 3.2099 0.4757 1.5268 H 1 UNL1111111111 0.1642 42 H 2.6167 3.0902 0.2673 H 1 UNL1111111111 0.2660 43 H 1.9578 2.5866 1.6824 H 1 UNL1111111111 0.2605 44 H 2.5382 -0.0368 -2.6279 H 1 UNL1111111111 0.1684 45 H 2.3962 -2.3827 -3.4134 H 1 UNL1111111111 0.1494 46 H 3.6440 -4.1728 -2.2271 H 1 UNL1111111111 0.1464 47 H 5.0612 -3.6063 -0.2697 H 1 UNL1111111111 0.1491 48 H 5.2221 -1.2577 0.5110 H 1 UNL1111111111 0.1622 49 H -0.4653 -0.7895 -0.9474 H 1 UNL1111111111 0.1643 50 H -1.2678 -2.6087 1.3132 H 1 UNL1111111111 0.1687 51 H -0.8464 -3.0459 -0.3500 H 1 UNL1111111111 0.1485 52 H 1.4424 -3.3901 0.2035 H 1 UNL1111111111 0.1484 53 H 0.8119 -3.5988 1.8444 H 1 UNL1111111111 0.1495 54 H 2.6726 -1.6219 1.2475 H 1 UNL1111111111 0.1454 55 H 1.4104 -1.3663 2.5124 H 1 UNL1111111111 0.1537 56 H -2.2606 0.5969 -0.8591 H 1 UNL1111111111 0.3215 57 H -3.4064 1.1554 1.8780 H 1 UNL1111111111 0.1953 58 H -3.3982 2.3263 0.5255 H 1 UNL1111111111 0.1524 59 H -6.6219 -2.2334 0.2694 H 1 UNL1111111111 0.1766 60 H -8.2736 -0.7193 -0.8216 H 1 UNL1111111111 0.1776 61 H -5.4739 2.5580 -0.5109 H 1 UNL1111111111 0.1808 @BOND 1 1 2 ar 2 1 35 1 3 2 3 ar 4 2 36 1 5 3 4 ar 6 3 37 1 7 4 5 ar 8 4 38 1 9 5 39 1 10 6 1 ar 11 6 5 ar 12 7 6 1 13 7 12 1 14 7 40 1 15 8 7 1 16 8 9 1 17 8 41 1 18 9 10 2 19 9 18 am 20 11 8 1 21 11 42 1 22 11 43 1 23 12 13 ar 24 12 17 ar 25 13 14 ar 26 13 44 1 27 14 15 ar 28 14 45 1 29 15 16 ar 30 15 46 1 31 16 17 ar 32 16 47 1 33 17 48 1 34 18 24 1 35 18 19 1 36 19 22 1 37 19 20 1 38 19 49 1 39 20 21 2 40 20 25 am 41 22 23 1 42 22 50 1 43 22 51 1 44 23 52 1 45 23 53 1 46 24 23 1 47 24 54 1 48 24 55 1 49 25 26 1 50 25 56 1 51 26 27 1 52 26 57 1 53 26 58 1 54 27 28 ar 55 27 32 ar 56 28 29 ar 57 28 33 1 58 29 30 ar 59 29 59 1 60 30 31 ar 61 30 60 1 62 31 32 ar 63 31 34 1 64 32 61 1