@MOLECULE 2-(diethylamino)ethyl n-(2-chloro-6-methylbenzoyl)-4-[(2,6-dichlorobenzoyl)amino]-l-phenylalaninate 72 74 0 0 0 SMALL GASTEIGER @ATOM 1 CL -5.0485 1.0533 -1.0156 Cl 1 UNL111111111 -0.0619 2 CL 6.1625 -2.4813 0.5025 Cl 1 UNL111111111 -0.0336 3 CL 4.0652 1.9566 -1.5032 Cl 1 UNL111111111 -0.0352 4 O -2.9233 1.1248 1.9245 O.3 1 UNL111111111 -0.3703 5 O -2.5541 0.3034 3.9849 O.2 1 UNL111111111 -0.5315 6 O -5.2338 -2.0569 0.7596 O.2 1 UNL111111111 -0.5122 7 O 3.3991 -1.5120 -1.3345 O.2 1 UNL111111111 -0.4483 8 N -1.5176 3.1420 0.2901 N.3 1 UNL111111111 -0.4281 9 N -3.1377 -1.1792 0.7414 N.am 1 UNL111111111 -0.5794 10 N 3.2700 -0.5260 0.7367 N.am 1 UNL111111111 -0.5533 11 C -3.0264 -1.2446 2.1905 C.3 1 UNL111111111 0.0271 12 C -1.8544 -2.1622 2.6119 C.3 1 UNL111111111 -0.2962 13 C -2.6816 3.3434 1.1821 C.3 1 UNL111111111 -0.1341 14 C -2.5981 2.4346 2.4157 C.3 1 UNL111111111 -0.0336 15 C -0.5331 -1.7120 2.0758 C.ar 1 UNL111111111 -0.0448 16 C -1.7678 3.7094 -1.0501 C.3 1 UNL111111111 -0.0818 17 C -0.2561 3.6116 0.9142 C.3 1 UNL111111111 -0.0894 18 C -2.8037 0.1257 2.8196 C.2 1 UNL111111111 0.5608 19 C 0.2808 -0.8786 2.8473 C.ar 1 UNL111111111 -0.1151 20 C -0.0884 -2.1427 0.8252 C.ar 1 UNL111111111 -0.1203 21 C -4.3119 -1.5772 0.1323 C.2 1 UNL111111111 0.6029 22 C -1.8979 5.2379 -1.1335 C.3 1 UNL111111111 -0.4903 23 C 0.9489 3.2074 0.0561 C.3 1 UNL111111111 -0.4465 24 C -4.2900 -1.4713 -1.3499 C.ar 1 UNL111111111 -0.2006 25 C 1.9805 -0.9529 1.1324 C.ar 1 UNL111111111 0.2195 26 C 1.5358 -0.5058 2.3903 C.ar 1 UNL111111111 -0.2437 27 C 1.1633 -1.7697 0.3451 C.ar 1 UNL111111111 -0.2074 28 C -3.9101 -2.5813 -2.1131 C.ar 1 UNL111111111 0.1154 29 C -4.6908 -0.3050 -1.9846 C.ar 1 UNL111111111 0.0725 30 C -3.9766 -2.4953 -3.5067 C.ar 1 UNL111111111 -0.2093 31 C -3.4514 -3.8250 -1.4380 C.3 1 UNL111111111 -0.4671 32 C -4.7778 -0.2115 -3.3657 C.ar 1 UNL111111111 -0.2056 33 C -4.4192 -1.3265 -4.1230 C.ar 1 UNL111111111 -0.0874 34 C 3.8886 -0.8337 -0.4662 C.2 1 UNL111111111 0.5948 35 C 5.2561 -0.2334 -0.5873 C.ar 1 UNL111111111 -0.1998 36 C 6.3844 -0.9598 -0.2268 C.ar 1 UNL111111111 0.0606 37 C 5.4450 1.0346 -1.1254 C.ar 1 UNL111111111 0.0594 38 C 7.6720 -0.4752 -0.4235 C.ar 1 UNL111111111 -0.1871 39 C 6.7143 1.5606 -1.3356 C.ar 1 UNL111111111 -0.1886 40 C 7.8267 0.7905 -0.9889 C.ar 1 UNL111111111 -0.0809 41 H -3.9859 -1.6670 2.6250 H 1 UNL111111111 0.2019 42 H -2.0763 -3.1989 2.2813 H 1 UNL111111111 0.1645 43 H -1.8271 -2.2094 3.7238 H 1 UNL111111111 0.1707 44 H -2.8035 4.4007 1.5073 H 1 UNL111111111 0.1211 45 H -3.6027 3.0705 0.6139 H 1 UNL111111111 0.1650 46 H -3.3493 2.7138 3.1761 H 1 UNL111111111 0.1367 47 H -1.5982 2.4009 2.8782 H 1 UNL111111111 0.1414 48 H -2.6903 3.2285 -1.4513 H 1 UNL111111111 0.1410 49 H -0.9427 3.3674 -1.7152 H 1 UNL111111111 0.1434 50 H -0.1690 3.1087 1.9053 H 1 UNL111111111 0.1330 51 H -0.2457 4.7030 1.1164 H 1 UNL111111111 0.1070 52 H -2.4306 -0.6388 0.2529 H 1 UNL111111111 0.3397 53 H -0.0768 -0.5165 3.8137 H 1 UNL111111111 0.1672 54 H -0.7255 -2.7804 0.2139 H 1 UNL111111111 0.1528 55 H -2.1070 5.5486 -2.1625 H 1 UNL111111111 0.1471 56 H -0.9777 5.7393 -0.8186 H 1 UNL111111111 0.1462 57 H -2.7122 5.6137 -0.5056 H 1 UNL111111111 0.1451 58 H 1.8727 3.2175 0.6427 H 1 UNL111111111 0.1401 59 H 1.0845 3.8761 -0.7984 H 1 UNL111111111 0.1408 60 H 0.8211 2.1883 -0.3357 H 1 UNL111111111 0.1690 61 H 2.1674 0.1316 3.0038 H 1 UNL111111111 0.1553 62 H 1.4908 -2.1201 -0.6353 H 1 UNL111111111 0.1946 63 H 3.7648 0.0692 1.3973 H 1 UNL111111111 0.3170 64 H -3.6871 -3.3498 -4.1147 H 1 UNL111111111 0.1620 65 H -3.1964 -4.6280 -2.1400 H 1 UNL111111111 0.1591 66 H -4.2328 -4.2220 -0.7642 H 1 UNL111111111 0.1821 67 H -2.5621 -3.6435 -0.8116 H 1 UNL111111111 0.1730 68 H -5.1148 0.7049 -3.8522 H 1 UNL111111111 0.1746 69 H -4.4802 -1.2773 -5.2110 H 1 UNL111111111 0.1536 70 H 8.5433 -1.0702 -0.1478 H 1 UNL111111111 0.1815 71 H 6.8467 2.5543 -1.7656 H 1 UNL111111111 0.1804 72 H 8.8298 1.1828 -1.1594 H 1 UNL111111111 0.1638 @BOND 1 1 29 1 2 2 36 1 3 3 37 1 4 4 14 1 5 4 18 1 6 5 18 2 7 6 21 2 8 7 34 2 9 8 13 1 10 8 16 1 11 8 17 1 12 9 11 1 13 9 21 am 14 9 52 1 15 10 25 1 16 10 34 am 17 10 63 1 18 11 12 1 19 11 18 1 20 11 41 1 21 12 15 1 22 12 42 1 23 12 43 1 24 13 14 1 25 13 44 1 26 13 45 1 27 14 46 1 28 14 47 1 29 15 19 ar 30 15 20 ar 31 16 22 1 32 16 48 1 33 16 49 1 34 17 23 1 35 17 50 1 36 17 51 1 37 19 26 ar 38 19 53 1 39 20 27 ar 40 20 54 1 41 21 24 1 42 22 55 1 43 22 56 1 44 22 57 1 45 23 58 1 46 23 59 1 47 23 60 1 48 24 28 ar 49 24 29 ar 50 25 26 ar 51 25 27 ar 52 26 61 1 53 27 62 1 54 28 30 ar 55 28 31 1 56 29 32 ar 57 30 33 ar 58 30 64 1 59 31 65 1 60 31 66 1 61 31 67 1 62 32 33 ar 63 32 68 1 64 33 69 1 65 34 35 1 66 35 36 ar 67 35 37 ar 68 36 38 ar 69 37 39 ar 70 38 40 ar 71 38 70 1 72 39 40 ar 73 39 71 1 74 40 72 1