@MOLECULE (2,4-dimethyl-3-pyridinyl){4-methyl-4-[(3s)-3-methyl-4-{(1s)-1-[4-(trifluoromethyl)phenyl]ethyl}-1-piperazinyl]-1-piperidinyl}methanone 73 76 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -1.0942 3.6018 0.8608 C.3 1 UNL1 0.0708 2 C -3.3273 2.5990 0.3299 C.3 1 UNL1 0.0504 3 C -3.4631 0.1805 0.9630 C.ar 1 UNL1 -0.1641 4 C -5.0099 0.9779 -0.7080 C.ar 1 UNL1 -0.1920 5 C -4.0036 -1.0970 0.8704 C.ar 1 UNL1 -0.0881 6 C -5.5597 -0.2989 -0.8018 C.ar 1 UNL1 -0.0842 7 C 2.9538 -3.6271 0.9235 C.ar 1 UNL1 -0.3094 8 C 4.1164 -4.0192 1.5942 C.ar 1 UNL1 0.0972 9 C 3.1161 3.7107 0.3261 C.3 1 UNL1 -0.4750 10 C -1.6377 4.1467 2.1882 C.3 1 UNL1 -0.4758 11 C -3.7853 3.6095 -0.7340 C.3 1 UNL1 -0.4946 12 C 6.7444 -1.8134 0.3134 C.3 1 UNL1 -0.4636 13 C 1.8282 -2.1411 -0.7526 C.3 1 UNL1 -0.4746 14 C 4.2587 -1.9261 -0.1591 C.ar 1 UNL1 -0.2986 15 C -3.9543 1.2244 0.1693 C.ar 1 UNL1 0.0303 16 C 5.3917 -2.4019 0.5248 C.ar 1 UNL1 0.2764 17 C 3.0267 -2.5660 0.0179 C.ar 1 UNL1 0.1612 18 C -5.0521 -1.3343 -0.0181 C.ar 1 UNL1 -0.1541 19 O 4.3189 -0.9945 -2.3293 O.2 1 UNL1 -0.5136 20 C 2.9119 2.0538 -1.5455 C.3 1 UNL1 -0.3370 21 C 2.7787 1.2594 0.8750 C.3 1 UNL1 -0.3770 22 C 0.3757 3.1339 1.0961 C.3 1 UNL1 -0.1257 23 C 0.1594 1.4894 -0.6435 C.3 1 UNL1 -0.1162 24 C 4.3793 1.5960 -1.5653 C.3 1 UNL1 -0.0688 25 C 4.2475 0.8248 0.7500 C.3 1 UNL1 -0.0718 26 C -1.2927 1.9555 -0.8949 C.3 1 UNL1 -0.1158 27 C 4.3623 -0.8086 -1.1295 C.2 1 UNL1 0.5938 28 F -6.9512 -2.7423 0.1925 F 1 UNL1 -0.2066 29 F -5.6422 -3.1706 -1.4029 F 1 UNL1 -0.2072 30 F -5.0981 -3.6632 0.5655 F 1 UNL1 -0.2065 31 C -5.6636 -2.6955 -0.1557 C.3 1 UNL1 0.5525 32 N 0.9519 2.6572 -0.1847 N.3 1 UNL1 -0.4749 33 N -1.8576 2.4126 0.3981 N.3 1 UNL1 -0.4691 34 C 2.4220 2.4035 -0.1143 C.3 1 UNL1 0.2587 35 N 4.5990 0.4765 -0.6328 N.am 1 UNL1 -0.4830 36 N 5.3095 -3.4290 1.3977 N.ar 1 UNL1 -0.4232 37 H -1.0924 4.4144 0.0898 H 1 UNL1 0.1265 38 H 2.7727 2.9319 -2.2030 H 1 UNL1 0.1599 39 H 2.2894 1.2527 -1.9905 H 1 UNL1 0.1566 40 H 2.1227 0.3880 0.6955 H 1 UNL1 0.1499 41 H 2.5730 1.5794 1.9115 H 1 UNL1 0.1507 42 H 0.9592 4.0016 1.4641 H 1 UNL1 0.1382 43 H 0.3893 2.3537 1.8867 H 1 UNL1 0.1296 44 H -3.6595 2.9791 1.3403 H 1 UNL1 0.1558 45 H 0.1537 0.6558 0.0926 H 1 UNL1 0.1270 46 H 0.5787 1.1012 -1.5965 H 1 UNL1 0.1426 47 H 4.6674 1.2799 -2.5971 H 1 UNL1 0.1699 48 H 5.0678 2.4218 -1.2834 H 1 UNL1 0.1384 49 H 4.9250 1.6479 1.0765 H 1 UNL1 0.1483 50 H 4.4525 -0.0339 1.4272 H 1 UNL1 0.1480 51 H -1.3015 2.7485 -1.6734 H 1 UNL1 0.1319 52 H -1.8940 1.1029 -1.2761 H 1 UNL1 0.1451 53 H 3.0085 3.9005 1.3974 H 1 UNL1 0.1425 54 H 4.1889 3.6832 0.1106 H 1 UNL1 0.1512 55 H 2.6941 4.5695 -0.2129 H 1 UNL1 0.1627 56 H -2.6334 0.3763 1.6481 H 1 UNL1 0.1811 57 H -5.4158 1.7737 -1.3299 H 1 UNL1 0.1624 58 H -3.5963 -1.8924 1.4958 H 1 UNL1 0.1661 59 H -6.3856 -0.4768 -1.4932 H 1 UNL1 0.1642 60 H -1.7958 3.3384 2.9137 H 1 UNL1 0.1617 61 H -0.9390 4.8625 2.6354 H 1 UNL1 0.1501 62 H -2.5900 4.6710 2.0550 H 1 UNL1 0.1483 63 H 2.0172 -4.1463 1.0982 H 1 UNL1 0.1730 64 H -3.6086 3.2429 -1.7511 H 1 UNL1 0.1565 65 H -4.8521 3.8371 -0.6360 H 1 UNL1 0.1544 66 H -3.2428 4.5572 -0.6327 H 1 UNL1 0.1562 67 H 4.1130 -4.8433 2.3185 H 1 UNL1 0.1683 68 H 7.0919 -1.9916 -0.7183 H 1 UNL1 0.1797 69 H 6.7487 -0.7241 0.4703 H 1 UNL1 0.1741 70 H 7.4962 -2.2526 0.9900 H 1 UNL1 0.1818 71 H 2.0300 -2.1870 -1.8407 H 1 UNL1 0.1927 72 H 0.9472 -2.7702 -0.5632 H 1 UNL1 0.1698 73 H 1.5427 -1.1017 -0.5333 H 1 UNL1 0.1639 @BOND 1 47 24 1 2 19 27 2 3 38 20 1 4 39 20 1 5 71 13 1 6 64 11 1 7 51 26 1 8 46 23 1 9 24 20 1 10 24 48 1 11 24 35 1 12 20 34 1 13 59 6 1 14 29 31 1 15 57 4 1 16 52 26 1 17 27 35 am 18 27 14 1 19 26 23 1 20 26 33 1 21 6 4 ar 22 6 18 ar 23 13 72 1 24 13 73 1 25 13 17 1 26 11 65 1 27 11 66 1 28 11 2 1 29 68 12 1 30 4 15 ar 31 23 32 1 32 23 45 1 33 35 25 1 34 55 9 1 35 32 34 1 36 32 22 1 37 14 17 ar 38 14 16 ar 39 31 18 1 40 31 28 1 41 31 30 1 42 34 9 1 43 34 21 1 44 18 5 ar 45 17 7 ar 46 37 1 1 47 54 9 1 48 15 2 1 49 15 3 ar 50 12 69 1 51 12 16 1 52 12 70 1 53 9 53 1 54 2 33 1 55 2 44 1 56 33 1 1 57 16 36 ar 58 40 21 1 59 25 21 1 60 25 49 1 61 25 50 1 62 1 22 1 63 1 10 1 64 5 3 ar 65 5 58 1 66 21 41 1 67 7 63 1 68 7 8 ar 69 3 56 1 70 22 42 1 71 22 43 1 72 36 8 ar 73 8 67 1 74 62 10 1 75 10 61 1 76 10 60 1