@MOLECULE n'-{(2s,3s,5r)-3-amino-6-[(4-fluorophenyl)amino]-5-methyl-6-oxo-1-phenyl-2-hexanyl}-n,n-dipropylisophthalamide 82 84 0 0 0 SMALL GASTEIGER @ATOM 1 C 0.5445 2.2345 -2.0594 C.ar 1 UNL1111 -0.2003 2 C 1.8064 2.3815 -2.6321 C.ar 1 UNL1111 -0.1374 3 C 2.7178 2.9742 -0.4786 C.ar 1 UNL1111 -0.1211 4 C -7.0955 -2.0218 -0.0742 C.ar 1 UNL1111 -0.2057 5 C -6.6087 -0.7050 0.0087 C.ar 1 UNL1111 0.1923 6 C -8.1511 -0.0045 -1.7167 C.ar 1 UNL1111 -0.1803 7 C -8.6295 -1.3117 -1.7635 C.ar 1 UNL1111 0.1489 8 C -8.1137 -2.3334 -0.9669 C.ar 1 UNL1111 -0.1797 9 C -2.4405 0.3847 0.9919 C.3 1 UNL1111 0.0242 10 C -0.9732 2.2117 -0.0631 C.3 1 UNL1111 -0.3342 11 C -5.3788 0.8098 1.5381 C.2 1 UNL1111 0.5861 12 C -0.9781 0.8645 0.7030 C.3 1 UNL1111 0.0323 13 C 0.8631 -0.7285 0.5517 C.2 1 UNL1111 0.5785 14 C 10.2953 0.1738 0.1148 C.3 1 UNL1111 -0.4410 15 C 5.2862 -3.5027 2.2149 C.3 1 UNL1111 -0.4375 16 C 8.9331 -0.1121 -0.5114 C.3 1 UNL1111 -0.2774 17 C 5.6706 -2.0568 1.9127 C.3 1 UNL1111 -0.2788 18 C 6.3828 -1.9816 0.5466 C.3 1 UNL1111 -0.0704 19 C 7.8206 0.0676 0.5412 C.3 1 UNL1111 -0.0597 20 C 5.5832 0.1406 -0.4831 C.2 1 UNL1111 0.5742 21 C 3.2201 -0.4202 0.0036 C.ar 1 UNL1111 -0.0742 22 C 2.0146 -1.0369 -0.3355 C.ar 1 UNL1111 -0.1382 23 C 1.9114 -1.8173 -1.4828 C.ar 1 UNL1111 -0.1094 24 C 4.3208 -0.5772 -0.8332 C.ar 1 UNL1111 -0.1090 25 C 4.2288 -1.3443 -1.9931 C.ar 1 UNL1111 -0.1038 26 C 3.0238 -1.9713 -2.3103 C.ar 1 UNL1111 -0.1493 27 F -9.6158 -1.5990 -2.6035 F 1 UNL1111 -0.1746 28 C -7.1283 0.2969 -0.8249 C.ar 1 UNL1111 -0.1722 29 N -5.6024 -0.4416 0.9626 N.am 1 UNL1111 -0.5864 30 O -5.9865 1.7974 1.1938 O.2 1 UNL1111 -0.5253 31 C -4.3467 0.8015 2.6594 C.3 1 UNL1111 -0.1528 32 C -4.8598 1.7159 3.7718 C.3 1 UNL1111 -0.4427 33 C -3.0008 1.2905 2.1140 C.3 1 UNL1111 -0.2966 34 N -2.4946 -1.0358 1.4052 N.3 1 UNL1111 -0.6461 35 C 0.3695 2.4478 -0.6897 C.ar 1 UNL1111 0.0020 36 C 1.4595 2.8238 0.0983 C.ar 1 UNL1111 -0.1814 37 C 2.8932 2.7505 -1.8432 C.ar 1 UNL1111 -0.1396 38 N -0.2471 -0.1548 -0.0714 N.am 1 UNL1111 -0.6140 39 O 0.8806 -0.8777 1.7557 O.2 1 UNL1111 -0.5077 40 O 5.7335 1.3254 -0.7170 O.2 1 UNL1111 -0.5292 41 N 6.5827 -0.5960 0.1127 N.am 1 UNL1111 -0.5036 42 H -0.3010 1.9592 -2.6838 H 1 UNL1111 0.1474 43 H 1.9435 2.2033 -3.6968 H 1 UNL1111 0.1481 44 H 3.5756 3.2535 0.1342 H 1 UNL1111 0.1628 45 H -6.6890 -2.7969 0.5720 H 1 UNL1111 0.1626 46 H -8.5647 0.7708 -2.3605 H 1 UNL1111 0.1735 47 H -8.5004 -3.3477 -1.0353 H 1 UNL1111 0.1696 48 H -3.0663 0.4885 0.0704 H 1 UNL1111 0.1489 49 H -1.7762 2.2264 -0.8263 H 1 UNL1111 0.1604 50 H -1.2259 3.0345 0.6370 H 1 UNL1111 0.1652 51 H -0.4554 1.0067 1.6905 H 1 UNL1111 0.1656 52 H 10.5344 -0.5432 0.9088 H 1 UNL1111 0.1415 53 H 11.0963 0.1132 -0.6307 H 1 UNL1111 0.1458 54 H 10.3356 1.1778 0.5523 H 1 UNL1111 0.1468 55 H 6.1622 -4.1590 2.2564 H 1 UNL1111 0.1405 56 H 4.7701 -3.5810 3.1791 H 1 UNL1111 0.1515 57 H 4.6024 -3.9027 1.4554 H 1 UNL1111 0.1473 58 H 8.9072 -1.1333 -0.9341 H 1 UNL1111 0.1410 59 H 8.7477 0.5669 -1.3661 H 1 UNL1111 0.1525 60 H 4.7647 -1.4183 1.9074 H 1 UNL1111 0.1543 61 H 6.3195 -1.6489 2.7084 H 1 UNL1111 0.1413 62 H 7.3690 -2.4953 0.5984 H 1 UNL1111 0.1422 63 H 5.7917 -2.5314 -0.2198 H 1 UNL1111 0.1463 64 H 7.6258 1.1565 0.6975 H 1 UNL1111 0.1643 65 H 8.1419 -0.3475 1.5206 H 1 UNL1111 0.1335 66 H 3.2897 0.1910 0.9079 H 1 UNL1111 0.1768 67 H 0.9696 -2.3029 -1.7362 H 1 UNL1111 0.1571 68 H 5.0931 -1.4499 -2.6491 H 1 UNL1111 0.1616 69 H 2.9488 -2.5762 -3.2132 H 1 UNL1111 0.1585 70 H -6.7417 1.3184 -0.7716 H 1 UNL1111 0.1956 71 H -4.9453 -1.1915 1.1907 H 1 UNL1111 0.3401 72 H -4.2128 -0.2332 3.0686 H 1 UNL1111 0.1716 73 H -5.0889 2.7221 3.3888 H 1 UNL1111 0.1671 74 H -5.7889 1.3285 4.2081 H 1 UNL1111 0.1504 75 H -4.1294 1.8197 4.5806 H 1 UNL1111 0.1468 76 H -2.2784 1.3451 2.9531 H 1 UNL1111 0.1524 77 H -3.1075 2.3257 1.7301 H 1 UNL1111 0.1572 78 H -2.2311 -1.6344 0.6288 H 1 UNL1111 0.2567 79 H -1.8289 -1.2186 2.1480 H 1 UNL1111 0.2629 80 H 1.3264 2.9905 1.1652 H 1 UNL1111 0.1533 81 H 3.8868 2.8531 -2.2827 H 1 UNL1111 0.1680 82 H -0.2230 -0.0050 -1.0754 H 1 UNL1111 0.3124 @BOND 1 1 2 ar 2 1 35 ar 3 1 42 1 4 2 37 ar 5 2 43 1 6 3 36 ar 7 3 37 ar 8 3 44 1 9 4 5 ar 10 4 8 ar 11 4 45 1 12 5 28 ar 13 5 29 1 14 6 7 ar 15 6 28 ar 16 6 46 1 17 7 8 ar 18 7 27 1 19 8 47 1 20 9 12 1 21 9 33 1 22 9 34 1 23 9 48 1 24 10 12 1 25 10 35 1 26 10 49 1 27 10 50 1 28 11 29 am 29 11 30 2 30 11 31 1 31 12 38 1 32 12 51 1 33 13 22 1 34 13 38 am 35 13 39 2 36 14 16 1 37 14 52 1 38 14 53 1 39 14 54 1 40 15 17 1 41 15 55 1 42 15 56 1 43 15 57 1 44 16 19 1 45 16 58 1 46 16 59 1 47 17 18 1 48 17 60 1 49 17 61 1 50 18 41 1 51 18 62 1 52 18 63 1 53 19 41 1 54 19 64 1 55 19 65 1 56 20 24 1 57 20 40 2 58 20 41 am 59 21 22 ar 60 21 24 ar 61 21 66 1 62 22 23 ar 63 23 26 ar 64 23 67 1 65 24 25 ar 66 25 26 ar 67 25 68 1 68 26 69 1 69 28 70 1 70 29 71 1 71 31 32 1 72 31 33 1 73 31 72 1 74 32 73 1 75 32 74 1 76 32 75 1 77 33 76 1 78 33 77 1 79 34 78 1 80 34 79 1 81 35 36 ar 82 36 80 1 83 37 81 1 84 38 82 1