@MOLECULE n-(2,4-dichlorobenzoyl)-n-[3-(trifluoromethyl)benzyl]-l-phenylalanine 51 53 0 0 0 SMALL GASTEIGER @ATOM 1 N -0.6481 -1.2952 0.1537 N.am 1 UNL1111111111 -0.4918 2 C 0.1223 -2.5350 0.2293 C.3 1 UNL1111111111 0.0372 3 C -0.1564 -3.1807 1.5898 C.2 1 UNL1111111111 0.6067 4 O -0.3722 -2.6619 2.6507 O.2 1 UNL1111111111 -0.4984 5 O -0.1071 -4.5271 1.4578 O.3 1 UNL1111111111 -0.5542 6 C -1.7292 -1.2619 -0.7119 C.2 1 UNL1111111111 0.5857 7 O -1.8882 -2.1467 -1.5287 O.2 1 UNL1111111111 -0.5001 8 C -2.7092 -0.1486 -0.5819 C.ar 1 UNL1111111111 -0.1562 9 C -2.8622 0.7663 -1.6228 C.ar 1 UNL1111111111 -0.0665 10 C -3.8222 1.7729 -1.5252 C.ar 1 UNL1111111111 -0.1876 11 C -4.6245 1.8238 -0.3908 C.ar 1 UNL1111111111 0.0589 12 C -4.5177 0.9091 0.6519 C.ar 1 UNL1111111111 -0.2010 13 C -3.5474 -0.0768 0.5285 C.ar 1 UNL1111111111 0.0474 14 CL -5.7998 3.0544 -0.2726 Cl 1 UNL1111111111 -0.0575 15 CL -3.3705 -1.2302 1.7664 Cl 1 UNL1111111111 -0.0255 16 C 1.6459 -2.3710 0.0949 C.3 1 UNL1111111111 -0.3115 17 C 2.1047 -1.8111 -1.2186 C.ar 1 UNL1111111111 0.0227 18 C 3.3796 -1.2350 -1.2704 C.ar 1 UNL1111111111 -0.1815 19 C 3.8581 -0.6940 -2.4594 C.ar 1 UNL1111111111 -0.1363 20 C 3.0685 -0.7235 -3.6084 C.ar 1 UNL1111111111 -0.1698 21 C 1.8074 -1.3117 -3.5639 C.ar 1 UNL1111111111 -0.1397 22 C 1.3282 -1.8612 -2.3756 C.ar 1 UNL1111111111 -0.1759 23 C -0.2679 -0.1687 1.0104 C.3 1 UNL1111111111 -0.0757 24 C 0.8017 0.6998 0.3959 C.ar 1 UNL1111111111 -0.0362 25 C 0.6292 1.2569 -0.8723 C.ar 1 UNL1111111111 -0.1059 26 C 1.6098 2.0820 -1.4152 C.ar 1 UNL1111111111 -0.1495 27 C 2.7745 2.3544 -0.6980 C.ar 1 UNL1111111111 -0.0934 28 C 2.9422 1.7968 0.5670 C.ar 1 UNL1111111111 -0.1328 29 C 1.9603 0.9743 1.1211 C.ar 1 UNL1111111111 -0.1134 30 C 4.1858 2.0476 1.3691 C.3 1 UNL1111111111 0.5508 31 F 5.0811 2.8634 0.8151 F 1 UNL1111111111 -0.2018 32 F 3.9526 2.5848 2.5676 F 1 UNL1111111111 -0.2021 33 F 4.8776 0.9366 1.6325 F 1 UNL1111111111 -0.2065 34 H -0.2408 -3.2461 -0.5827 H 1 UNL1111111111 0.2177 35 H -0.2937 -5.0209 2.2950 H 1 UNL1111111111 0.3585 36 H -2.2418 0.6844 -2.5193 H 1 UNL1111111111 0.1751 37 H -3.9406 2.4985 -2.3316 H 1 UNL1111111111 0.1820 38 H -5.1704 0.9604 1.5263 H 1 UNL1111111111 0.1955 39 H 2.0321 -1.7402 0.9262 H 1 UNL1111111111 0.1683 40 H 2.1219 -3.3719 0.2357 H 1 UNL1111111111 0.1783 41 H 4.0025 -1.2053 -0.3778 H 1 UNL1111111111 0.1564 42 H 4.8499 -0.2462 -2.4912 H 1 UNL1111111111 0.1511 43 H 3.4397 -0.2937 -4.5355 H 1 UNL1111111111 0.1495 44 H 1.1905 -1.3478 -4.4601 H 1 UNL1111111111 0.1503 45 H 0.3395 -2.3242 -2.3683 H 1 UNL1111111111 0.1744 46 H -1.1573 0.4704 1.2349 H 1 UNL1111111111 0.1634 47 H 0.0543 -0.5615 2.0112 H 1 UNL1111111111 0.1869 48 H -0.2702 1.0374 -1.4459 H 1 UNL1111111111 0.1546 49 H 1.4723 2.5098 -2.4076 H 1 UNL1111111111 0.1598 50 H 3.5344 2.9975 -1.1440 H 1 UNL1111111111 0.1689 51 H 2.0945 0.5467 2.1173 H 1 UNL1111111111 0.1709 @BOND 1 1 2 1 2 1 6 am 3 1 23 1 4 2 3 1 5 2 16 1 6 2 34 1 7 3 4 2 8 3 5 1 9 5 35 1 10 6 7 2 11 6 8 1 12 8 9 ar 13 8 13 ar 14 9 10 ar 15 9 36 1 16 10 11 ar 17 10 37 1 18 11 12 ar 19 11 14 1 20 12 13 ar 21 12 38 1 22 13 15 1 23 16 17 1 24 16 39 1 25 16 40 1 26 17 18 ar 27 17 22 ar 28 18 19 ar 29 18 41 1 30 19 20 ar 31 19 42 1 32 20 21 ar 33 20 43 1 34 21 22 ar 35 21 44 1 36 22 45 1 37 23 24 1 38 23 46 1 39 23 47 1 40 24 25 ar 41 24 29 ar 42 25 26 ar 43 25 48 1 44 26 27 ar 45 26 49 1 46 27 28 ar 47 27 50 1 48 28 29 ar 49 28 30 1 50 29 51 1 51 30 31 1 52 30 32 1 53 30 33 1