@MOLECULE 2-(3-chlorophenoxy)-4-{(1r)-3-methyl-1-[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydro-1(2h)-pyrimidinyl)-1-piperidinyl]butyl}benzoic acid 69 72 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 3.4414 -2.5553 2.0178 C.ar 1 UNL1 0.0565 2 C 5.5921 -1.7895 1.2857 C.ar 1 UNL1 -0.0923 3 C 5.0284 -1.3571 0.0874 C.ar 1 UNL1 -0.1997 4 C 3.6608 -1.5456 -0.1108 C.ar 1 UNL1 0.2067 5 CL 2.4676 -3.2773 3.2216 Cl 1 UNL1 -0.0723 6 C 4.7986 -2.3876 2.2661 C.ar 1 UNL1 -0.2034 7 C 2.8362 -2.1529 0.8353 C.ar 1 UNL1 -0.2416 8 O 3.1823 -1.2015 -1.3625 O.3 1 UNL1 -0.2581 9 C 2.2323 -0.2286 -1.4225 C.ar 1 UNL1 0.3080 10 C 1.7636 0.0358 -2.7203 C.ar 1 UNL1 -0.2545 11 C 0.7989 1.0364 -2.8895 C.ar 1 UNL1 -0.0058 12 C 0.3326 1.7594 -1.8011 C.ar 1 UNL1 -0.2495 13 C 0.8168 1.4875 -0.5163 C.ar 1 UNL1 0.1183 14 C 1.7626 0.4852 -0.3189 C.ar 1 UNL1 -0.3501 15 C 0.3486 2.3020 0.6752 C.3 1 UNL1 0.0227 16 C 1.0597 3.6749 0.6167 C.3 1 UNL1 -0.3091 17 C 2.5953 3.5494 0.5993 C.3 1 UNL1 -0.0614 18 C 3.2084 4.9268 0.3156 C.3 1 UNL1 -0.4556 19 C 3.1223 3.0062 1.9316 C.3 1 UNL1 -0.4533 20 N -1.1320 2.4636 0.5723 N.3 1 UNL1 -0.4470 21 C -1.6948 3.3513 1.6214 C.3 1 UNL1 -0.1101 22 C -3.1882 3.5946 1.3226 C.3 1 UNL1 -0.2696 23 C -3.9591 2.2730 1.2918 C.3 1 UNL1 -0.3092 24 C -3.2774 1.3569 0.2611 C.3 1 UNL1 0.1051 25 C -1.7932 1.1341 0.6525 C.3 1 UNL1 -0.1565 26 N -3.9728 0.0548 0.1486 N.ar 1 UNL1 -0.4678 27 C -4.4885 -0.3347 -1.0798 C.ar 1 UNL1 0.1052 28 C -5.1742 -1.4953 -1.2327 C.ar 1 UNL1 -0.2284 29 C -5.4032 -2.3791 -0.0945 C.ar 1 UNL1 0.6036 30 O -6.0153 -3.4207 -0.0786 O.2 1 UNL1 -0.4758 31 N -4.8312 -1.9446 1.1311 N.ar 1 UNL1 -0.6235 32 C -4.1099 -0.7589 1.2907 C.ar 1 UNL1 0.7055 33 O -3.6280 -0.4583 2.3634 O.2 1 UNL1 -0.5238 34 C -5.7169 -1.9460 -2.5368 C.3 1 UNL1 -0.4071 35 C 2.2875 -0.7029 -3.8676 C.2 1 UNL1 0.6584 36 O 1.4757 -0.5414 -4.9583 O.3 1 UNL1 -0.5799 37 O 3.2802 -1.3744 -3.9679 O.2 1 UNL1 -0.4813 38 H 6.6601 -1.6558 1.4615 H 1 UNL1 0.1599 39 H 5.6322 -0.8897 -0.6904 H 1 UNL1 0.1840 40 H 5.2427 -2.7167 3.2048 H 1 UNL1 0.1737 41 H 1.7751 -2.3067 0.6397 H 1 UNL1 0.1953 42 H 0.4158 1.2481 -3.8926 H 1 UNL1 0.1717 43 H -0.4162 2.5414 -1.9323 H 1 UNL1 0.1803 44 H 2.1424 0.2799 0.6794 H 1 UNL1 0.1816 45 H 0.6277 1.7898 1.6346 H 1 UNL1 0.1346 46 H 0.7158 4.2198 -0.2846 H 1 UNL1 0.1567 47 H 0.7612 4.2951 1.4818 H 1 UNL1 0.1442 48 H 2.9009 2.8541 -0.2213 H 1 UNL1 0.1427 49 H 2.9287 5.6591 1.0797 H 1 UNL1 0.1437 50 H 4.3026 4.8747 0.2961 H 1 UNL1 0.1464 51 H 2.8828 5.3169 -0.6545 H 1 UNL1 0.1430 52 H 2.7338 2.0054 2.1453 H 1 UNL1 0.1404 53 H 4.2161 2.9320 1.9216 H 1 UNL1 0.1470 54 H 2.8461 3.6558 2.7688 H 1 UNL1 0.1454 55 H -1.5711 2.9341 2.6438 H 1 UNL1 0.1262 56 H -1.1621 4.3255 1.5950 H 1 UNL1 0.1378 57 H -3.6140 4.2695 2.0869 H 1 UNL1 0.1408 58 H -3.2889 4.1205 0.3532 H 1 UNL1 0.1476 59 H -3.9603 1.8038 2.2980 H 1 UNL1 0.1780 60 H -5.0196 2.4379 1.0341 H 1 UNL1 0.1456 61 H -3.3050 1.8562 -0.7464 H 1 UNL1 0.1533 62 H -1.3183 0.4337 -0.0674 H 1 UNL1 0.1563 63 H -1.7184 0.6689 1.6605 H 1 UNL1 0.1583 64 H -4.3051 0.3491 -1.9190 H 1 UNL1 0.1740 65 H -4.9483 -2.5340 1.9602 H 1 UNL1 0.3470 66 H -5.0899 -2.7415 -2.9741 H 1 UNL1 0.1658 67 H -6.7257 -2.3812 -2.4227 H 1 UNL1 0.1732 68 H -5.7928 -1.1394 -3.2758 H 1 UNL1 0.1468 69 H 1.8018 -1.0261 -5.7540 H 1 UNL1 0.3554 @BOND 1 69 36 1 2 36 35 1 3 37 35 2 4 42 11 1 5 35 10 1 6 68 34 1 7 66 34 1 8 11 10 ar 9 11 12 ar 10 10 9 ar 11 34 67 1 12 34 28 1 13 43 12 1 14 64 27 1 15 12 13 ar 16 9 8 1 17 9 14 ar 18 8 4 1 19 28 27 ar 20 28 29 ar 21 27 26 ar 22 61 24 1 23 39 3 1 24 51 18 1 25 13 14 ar 26 13 15 1 27 14 44 1 28 46 16 1 29 48 17 1 30 4 3 ar 31 4 7 ar 32 29 30 2 33 29 31 ar 34 62 25 1 35 3 2 ar 36 26 24 1 37 26 32 ar 38 24 25 1 39 24 23 1 40 50 18 1 41 18 17 1 42 18 49 1 43 58 22 1 44 20 25 1 45 20 15 1 46 20 21 1 47 17 16 1 48 17 19 1 49 16 15 1 50 16 47 1 51 41 7 1 52 25 63 1 53 15 45 1 54 7 1 ar 55 60 23 1 56 31 32 ar 57 31 65 1 58 2 38 1 59 2 6 ar 60 32 33 2 61 23 22 1 62 23 59 1 63 22 21 1 64 22 57 1 65 56 21 1 66 21 55 1 67 53 19 1 68 19 52 1 69 19 54 1 70 1 6 ar 71 1 5 1 72 6 40 1