@MOLECULE 2-{[(6-oxo-1,6-dihydro-3-pyridinyl)methyl]amino}-n-[4-propyl-3-(trifluoromethyl)phenyl]benzamide 53 55 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 0.9195 -1.5884 0.7842 C.2 1 UNL1 0.6292 2 C -1.4890 -1.0375 0.5508 C.ar 1 UNL1 0.1976 3 C -3.7960 0.5260 0.9146 C.ar 1 UNL1 0.0410 4 C -2.6964 0.6417 1.7804 C.ar 1 UNL1 -0.1598 5 C -1.5545 -0.1230 1.6142 C.ar 1 UNL1 -0.1444 6 C -4.9660 1.4187 1.1893 C.3 1 UNL1 -0.2929 7 C -4.6786 2.8349 0.6585 C.3 1 UNL1 -0.2339 8 C -5.8634 3.7607 0.9245 C.3 1 UNL1 -0.4410 9 C 4.8481 -0.2259 -0.1840 C.3 1 UNL1 -0.0444 10 C 4.6318 1.2483 -0.3330 C.ar 1 UNL1 -0.2412 11 C 4.1752 1.7828 -1.5743 C.ar 1 UNL1 0.0036 12 C 3.9617 3.1167 -1.7109 C.ar 1 UNL1 -0.3351 13 C 1.9598 -2.5711 0.4382 C.ar 1 UNL1 -0.3397 14 C 1.6653 -3.9388 0.3816 C.ar 1 UNL1 -0.0174 15 C 2.6193 -4.8617 -0.0070 C.ar 1 UNL1 -0.2791 16 C 3.9080 -4.4219 -0.3472 C.ar 1 UNL1 -0.0150 17 C 4.2457 -3.0882 -0.2639 C.ar 1 UNL1 -0.3255 18 C 3.2865 -2.1330 0.1735 C.ar 1 UNL1 0.3359 19 N 3.6337 -0.8290 0.3868 N.pl3 1 UNL1 -0.5214 20 N -0.3707 -1.8744 0.3332 N.am 1 UNL1 -0.5645 21 O 1.1393 -0.5583 1.3983 O.2 1 UNL1 -0.5634 22 C -2.5784 -1.1696 -0.3210 C.ar 1 UNL1 -0.1939 23 C -3.7219 -0.3900 -0.1363 C.ar 1 UNL1 -0.1263 24 C -4.8686 -0.5797 -1.0898 C.3 1 UNL1 0.5583 25 F -4.6232 -1.3736 -2.1345 F 1 UNL1 -0.2104 26 F -5.9472 -1.1322 -0.5302 F 1 UNL1 -0.2086 27 F -5.3150 0.5384 -1.6622 F 1 UNL1 -0.2028 28 C 4.1838 4.0313 -0.6119 C.ar 1 UNL1 0.5785 29 N 4.6277 3.4398 0.6145 N.ar 1 UNL1 -0.4800 30 C 4.8353 2.0918 0.7338 C.ar 1 UNL1 0.1176 31 O 4.0429 5.2343 -0.5966 O.2 1 UNL1 -0.5005 32 H -2.7441 1.3541 2.6061 H 1 UNL1 0.1630 33 H -0.7155 -0.0118 2.3075 H 1 UNL1 0.1968 34 H -5.9166 1.0441 0.7704 H 1 UNL1 0.1599 35 H -5.1622 1.4643 2.2825 H 1 UNL1 0.1543 36 H -3.7637 3.2384 1.1328 H 1 UNL1 0.1379 37 H -4.4607 2.7996 -0.4261 H 1 UNL1 0.1468 38 H -6.7709 3.4058 0.4220 H 1 UNL1 0.1474 39 H -6.0858 3.8368 1.9942 H 1 UNL1 0.1405 40 H -5.6633 4.7741 0.5574 H 1 UNL1 0.1436 41 H 5.7109 -0.4469 0.4922 H 1 UNL1 0.1471 42 H 5.0972 -0.6907 -1.1683 H 1 UNL1 0.1488 43 H 3.9978 1.0956 -2.4053 H 1 UNL1 0.1590 44 H 3.6123 3.5686 -2.6377 H 1 UNL1 0.1901 45 H 0.6682 -4.2885 0.6600 H 1 UNL1 0.1485 46 H 2.3814 -5.9196 -0.0493 H 1 UNL1 0.1592 47 H 4.6514 -5.1523 -0.6715 H 1 UNL1 0.1444 48 H 5.2539 -2.7687 -0.5037 H 1 UNL1 0.1608 49 H 2.9314 -0.1809 0.7503 H 1 UNL1 0.3500 50 H -0.5117 -2.6720 -0.2795 H 1 UNL1 0.3185 51 H -2.5113 -1.8852 -1.1405 H 1 UNL1 0.1714 52 H 4.7764 4.0592 1.4071 H 1 UNL1 0.3231 53 H 5.1647 1.7219 1.7139 H 1 UNL1 0.1683 @BOND 1 44 12 1 2 43 11 1 3 25 24 1 4 12 11 ar 5 12 28 ar 6 27 24 1 7 11 10 ar 8 42 9 1 9 51 22 1 10 24 26 1 11 24 23 1 12 47 16 1 13 28 31 2 14 28 29 ar 15 48 17 1 16 37 7 1 17 16 17 ar 18 16 15 ar 19 10 9 1 20 10 30 ar 21 22 23 ar 22 22 2 ar 23 50 20 1 24 17 18 ar 25 9 19 1 26 9 41 1 27 23 3 ar 28 46 15 1 29 15 14 ar 30 18 19 1 31 18 13 ar 32 20 2 1 33 20 1 am 34 14 13 ar 35 14 45 1 36 19 49 1 37 38 8 1 38 13 1 1 39 2 5 ar 40 40 8 1 41 29 30 ar 42 29 52 1 43 7 8 1 44 7 36 1 45 7 6 1 46 30 53 1 47 34 6 1 48 1 21 2 49 3 6 1 50 3 4 ar 51 8 39 1 52 6 35 1 53 5 4 ar 54 5 33 1 55 4 32 1