@MOLECULE [(4s)-3-oxo-8-[3-(2-pyridinylamino)propoxy]-2-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydro-1h-2-benzazepin-4-yl]acetic acid 56 58 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -4.6819 1.1878 0.4845 C.3 1 UNL1 -0.1607 2 C -0.6389 -0.3303 1.6775 C.ar 1 UNL1 -0.2428 3 C -1.3234 2.2626 0.8745 C.ar 1 UNL1 -0.0908 4 C 0.0078 1.8544 0.7924 C.ar 1 UNL1 -0.2924 5 C 7.8025 1.3592 -0.5957 C.ar 1 UNL1 -0.3654 6 C 9.5836 -0.7359 -0.8001 C.ar 1 UNL1 0.1292 7 C 9.0978 1.6034 -1.0345 C.ar 1 UNL1 -0.0080 8 C 10.0109 0.5552 -1.1401 C.ar 1 UNL1 -0.3378 9 C -4.8079 2.0577 -0.7785 C.3 1 UNL1 -0.3421 10 C -3.7172 -2.5313 0.3742 C.3 1 UNL1 -0.1334 11 C 2.6305 0.7951 0.6131 C.3 1 UNL1 -0.0403 12 C 3.8306 -0.1498 0.6984 C.3 1 UNL1 -0.3122 13 C 5.0707 0.5382 0.1110 C.3 1 UNL1 -0.0697 14 H 6.0571 -1.3300 0.3837 H 1 UNL1 0.3209 15 C 0.3373 0.5654 1.2067 C.ar 1 UNL1 0.2587 16 C 7.4564 0.0302 -0.2577 C.ar 1 UNL1 0.3958 17 O -4.5117 -0.5700 -1.1127 O.2 1 UNL1 -0.5014 18 O -7.1453 1.3927 -0.9712 O.2 1 UNL1 -0.5203 19 C -3.7230 1.8423 1.4907 C.3 1 UNL1 -0.2713 20 C -3.0591 -0.8677 2.1045 C.3 1 UNL1 -0.0786 21 O -6.0780 2.2348 -2.7398 O.3 1 UNL1 -0.5550 22 C -6.1269 1.8212 -1.4477 C.2 1 UNL1 0.6642 23 O 1.5838 0.0315 1.2209 O.3 1 UNL1 -0.3299 24 C -4.3181 -0.2183 0.0318 C.2 1 UNL1 0.5743 25 H -6.9123 2.0599 -3.2415 H 1 UNL1 0.3559 26 C -2.3051 1.3945 1.3414 C.ar 1 UNL1 -0.0787 27 C -1.9590 0.0848 1.7114 C.ar 1 UNL1 -0.0084 28 F -1.3572 -3.0120 0.1837 F 1 UNL1 -0.2250 29 F -2.5432 -3.5824 -1.4506 F 1 UNL1 -0.2024 30 F -2.0884 -1.5427 -1.1383 F 1 UNL1 -0.1818 31 C -2.4442 -2.6517 -0.5021 C.3 1 UNL1 0.5142 32 N 6.2398 -0.3340 0.2922 N.pl3 1 UNL1 -0.5207 33 N -3.9144 -1.2045 0.9546 N.am 1 UNL1 -0.4797 34 N 8.3412 -1.0083 -0.3790 N.ar 1 UNL1 -0.4886 35 H -5.6982 1.1039 0.9712 H 1 UNL1 0.1919 36 H -3.7970 2.9481 1.4123 H 1 UNL1 0.1559 37 H -4.0705 1.6288 2.5272 H 1 UNL1 0.1553 38 H -2.6467 -1.7984 2.5581 H 1 UNL1 0.1579 39 H -3.7100 -0.4164 2.8950 H 1 UNL1 0.1592 40 H -4.7132 3.1385 -0.5415 H 1 UNL1 0.1788 41 H -3.9722 1.8433 -1.4892 H 1 UNL1 0.2073 42 H -4.6170 -2.7710 -0.2614 H 1 UNL1 0.2053 43 H -3.7006 -3.2966 1.1858 H 1 UNL1 0.1746 44 H -0.3350 -1.3270 1.9915 H 1 UNL1 0.1824 45 H -1.5898 3.2735 0.5664 H 1 UNL1 0.1532 46 H 0.7581 2.5406 0.4157 H 1 UNL1 0.1650 47 H 2.7831 1.7226 1.1915 H 1 UNL1 0.1282 48 H 2.3568 1.0322 -0.4302 H 1 UNL1 0.1347 49 H 4.0077 -0.4415 1.7553 H 1 UNL1 0.1722 50 H 3.6044 -1.0953 0.1642 H 1 UNL1 0.1675 51 H 4.9117 0.7792 -0.9659 H 1 UNL1 0.1362 52 H 5.2644 1.5017 0.6409 H 1 UNL1 0.1473 53 H 7.0873 2.1643 -0.5036 H 1 UNL1 0.1663 54 H 10.2546 -1.6023 -0.8710 H 1 UNL1 0.1680 55 H 9.3998 2.6183 -1.2969 H 1 UNL1 0.1494 56 H 11.0247 0.7281 -1.4787 H 1 UNL1 0.1675 @BOND 1 25 21 1 2 21 22 1 3 41 9 1 4 56 8 1 5 29 31 1 6 22 18 2 7 22 9 1 8 55 7 1 9 8 7 ar 10 8 6 ar 11 30 31 1 12 17 24 2 13 7 5 ar 14 51 13 1 15 54 6 1 16 6 34 ar 17 9 40 1 18 9 1 1 19 5 53 1 20 5 16 ar 21 31 28 1 22 31 10 1 23 48 11 1 24 34 16 ar 25 42 10 1 26 16 32 1 27 24 1 1 28 24 33 am 29 13 32 1 30 13 52 1 31 13 12 1 32 50 12 1 33 32 14 1 34 10 33 1 35 10 43 1 36 46 4 1 37 1 35 1 38 1 19 1 39 45 3 1 40 11 12 1 41 11 47 1 42 11 23 1 43 12 49 1 44 4 3 ar 45 4 15 ar 46 3 26 ar 47 33 20 1 48 15 23 1 49 15 2 ar 50 26 19 1 51 26 27 ar 52 36 19 1 53 19 37 1 54 2 27 ar 55 2 44 1 56 27 20 1 57 20 38 1 58 20 39 1