@MOLECULE (2,4-dimethyl-1-oxido-3-pyridinyl){4-methyl-4-[(3s)-3-methyl-4-{(1s)-1-[4-(trifluoromethyl)phenyl]ethyl}-1-piperazinyl]-1-piperidinyl}methanone 74 77 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -1.5840 3.5404 0.9816 C.3 1 UNL1 0.0705 2 C -3.7617 2.4344 0.4548 C.3 1 UNL1 0.0489 3 C 3.2973 -3.3278 0.8066 C.ar 1 UNL1 -0.1505 4 C 4.5352 -3.6258 1.3622 C.ar 1 UNL1 -0.1652 5 C -3.9157 0.0331 1.1148 C.ar 1 UNL1 -0.1625 6 C -5.1909 0.7281 -0.8133 C.ar 1 UNL1 -0.1922 7 C -4.3861 -1.2650 0.9673 C.ar 1 UNL1 -0.0890 8 C -5.6709 -0.5732 -0.9638 C.ar 1 UNL1 -0.0823 9 C 2.5666 3.9983 0.2963 C.3 1 UNL1 -0.4746 10 C -2.1298 4.0212 2.3329 C.3 1 UNL1 -0.4750 11 C -4.2760 3.4752 -0.5515 C.3 1 UNL1 -0.4951 12 C 6.7678 -1.0362 -0.1376 C.3 1 UNL1 -0.4446 13 C 1.8330 -1.9524 -0.6818 C.3 1 UNL1 -0.4523 14 C 4.2908 -1.4864 -0.3529 C.ar 1 UNL1 -0.1402 15 C 5.5354 -1.7979 0.1912 C.ar 1 UNL1 0.0270 16 C 3.1543 -2.2515 -0.0692 C.ar 1 UNL1 0.0205 17 C -4.3146 1.0387 0.2244 C.ar 1 UNL1 0.0311 18 C -5.2696 -1.5643 -0.0731 C.ar 1 UNL1 -0.1532 19 O 4.0896 -0.5409 -2.5119 O.2 1 UNL1 -0.5042 20 C 2.4115 2.3680 -1.6043 C.3 1 UNL1 -0.3381 21 C 2.4861 1.5159 0.7987 C.3 1 UNL1 -0.3782 22 C -0.0791 3.1755 1.1739 C.3 1 UNL1 -0.1261 23 C -0.2234 1.5231 -0.5554 C.3 1 UNL1 -0.1167 24 C 3.9097 2.0467 -1.7170 C.3 1 UNL1 -0.0708 25 C 3.9831 1.2386 0.5917 C.3 1 UNL1 -0.0690 26 C -1.7082 1.8864 -0.7821 C.3 1 UNL1 -0.1163 27 C 4.1819 -0.3494 -1.3167 C.2 1 UNL1 0.5814 28 F -6.2616 -3.4815 0.9208 F 1 UNL1 -0.2065 29 F -6.7154 -3.1787 -1.1076 F 1 UNL1 -0.2042 30 F -4.7964 -3.8377 -0.5512 F 1 UNL1 -0.2082 31 O 6.7434 -3.1635 1.5715 O.2 1 UNL1 -0.4955 32 C -5.7556 -2.9758 -0.2059 C.3 1 UNL1 0.5522 33 N 0.4849 2.7559 -0.1313 N.3 1 UNL1 -0.4763 34 N -2.2837 2.3120 0.5176 N.3 1 UNL1 -0.4655 35 C 1.9718 2.6419 -0.1397 C.3 1 UNL1 0.2564 36 N 4.2895 0.9462 -0.8146 N.am 1 UNL1 -0.4753 37 N 5.6412 -2.8739 1.0564 N.ar 1 UNL1 0.3361 38 H 2.1564 3.2440 -2.2295 H 1 UNL1 0.1617 39 H 1.8377 1.5244 -2.0357 H 1 UNL1 0.1566 40 H 1.9128 0.5876 0.6200 H 1 UNL1 0.1514 41 H 2.2980 1.7872 1.8520 H 1 UNL1 0.1508 42 H -1.6572 4.3636 0.2256 H 1 UNL1 0.1272 43 H 0.4526 4.0761 1.5402 H 1 UNL1 0.1386 44 H 0.0124 2.3885 1.9523 H 1 UNL1 0.1289 45 H -0.1549 0.7055 0.1951 H 1 UNL1 0.1265 46 H 0.2048 1.1452 -1.5077 H 1 UNL1 0.1421 47 H -4.1067 2.7497 1.4832 H 1 UNL1 0.1552 48 H 4.1632 1.7682 -2.7687 H 1 UNL1 0.1698 49 H 4.5346 2.9311 -1.4641 H 1 UNL1 0.1403 50 H 4.5876 2.1249 0.8961 H 1 UNL1 0.1496 51 H 4.3142 0.3987 1.2421 H 1 UNL1 0.1497 52 H -1.7845 2.6717 -1.5648 H 1 UNL1 0.1324 53 H -2.2545 0.9909 -1.1478 H 1 UNL1 0.1456 54 H 2.4966 4.1574 1.3758 H 1 UNL1 0.1433 55 H 3.6252 4.0737 0.0279 H 1 UNL1 0.1515 56 H 2.0422 4.8255 -0.2009 H 1 UNL1 0.1632 57 H 2.4386 -3.9513 1.0595 H 1 UNL1 0.1739 58 H 4.6854 -4.4638 2.0490 H 1 UNL1 0.1971 59 H -3.2127 0.2767 1.9149 H 1 UNL1 0.1763 60 H -5.5105 1.4919 -1.5203 H 1 UNL1 0.1630 61 H -4.0598 -2.0395 1.6633 H 1 UNL1 0.1648 62 H -6.3553 -0.7905 -1.7854 H 1 UNL1 0.1659 63 H -2.2207 3.1885 3.0423 H 1 UNL1 0.1616 64 H -1.4678 4.7699 2.7817 H 1 UNL1 0.1499 65 H -3.1164 4.4859 2.2324 H 1 UNL1 0.1485 66 H -5.3662 3.5726 -0.4992 H 1 UNL1 0.1561 67 H -3.8525 4.4649 -0.3416 H 1 UNL1 0.1559 68 H -4.0066 3.2222 -1.5825 H 1 UNL1 0.1556 69 H 7.0047 -1.1088 -1.2126 H 1 UNL1 0.1778 70 H 6.6675 0.0341 0.1010 H 1 UNL1 0.1722 71 H 7.6546 -1.4082 0.4095 H 1 UNL1 0.1945 72 H 1.9322 -1.6338 -1.7350 H 1 UNL1 0.1811 73 H 1.1647 -2.8266 -0.6879 H 1 UNL1 0.1675 74 H 1.3064 -1.1498 -0.1445 H 1 UNL1 0.1572 @BOND 1 48 24 1 2 19 27 2 3 38 20 1 4 39 20 1 5 62 8 1 6 72 13 1 7 24 20 1 8 24 49 1 9 24 36 1 10 20 35 1 11 68 11 1 12 52 26 1 13 60 6 1 14 46 23 1 15 27 36 am 16 27 14 1 17 69 12 1 18 53 26 1 19 29 32 1 20 8 6 ar 21 8 18 ar 22 36 25 1 23 6 17 ar 24 26 23 1 25 26 34 1 26 73 13 1 27 13 74 1 28 13 16 1 29 23 33 1 30 23 45 1 31 11 66 1 32 11 67 1 33 11 2 1 34 30 32 1 35 14 16 ar 36 14 15 ar 37 32 18 1 38 32 28 1 39 56 9 1 40 35 33 1 41 35 9 1 42 35 21 1 43 12 70 1 44 12 15 1 45 12 71 1 46 33 22 1 47 18 7 ar 48 16 3 ar 49 55 9 1 50 15 37 ar 51 17 2 1 52 17 5 ar 53 42 1 1 54 9 54 1 55 2 34 1 56 2 47 1 57 34 1 1 58 25 21 1 59 25 50 1 60 25 51 1 61 40 21 1 62 21 41 1 63 3 57 1 64 3 4 ar 65 7 5 ar 66 7 61 1 67 1 22 1 68 1 10 1 69 37 4 ar 70 37 31 2 71 5 59 1 72 22 43 1 73 22 44 1 74 4 58 1 75 65 10 1 76 10 64 1 77 10 63 1