@MOLECULE 1-(3-amino-2-methylbenzyl)-4-hexyl-2(1h)-pyridinone 48 49 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 9.0941 -0.5877 -0.4910 C.3 1 UNL1 -0.4397 2 C 7.9997 0.3565 0.0068 C.3 1 UNL1 -0.2524 3 C 6.6087 -0.2209 -0.2861 C.3 1 UNL1 -0.2723 4 C 5.5092 0.7251 0.2117 C.3 1 UNL1 -0.2757 5 C 4.1233 0.1321 -0.0656 C.3 1 UNL1 -0.2552 6 C 3.0219 1.0699 0.4545 C.3 1 UNL1 -0.3036 7 C 1.6813 0.4526 0.2028 C.ar 1 UNL1 0.1710 8 C 1.1567 -0.4598 1.0695 C.ar 1 UNL1 -0.3948 9 C -0.1294 -1.0716 0.8448 C.ar 1 UNL1 0.5915 10 O -0.6666 -1.9160 1.5314 O.2 1 UNL1 -0.5260 11 C 0.9509 0.8231 -0.9630 C.ar 1 UNL1 -0.3703 12 C -0.2892 0.2824 -1.1888 C.ar 1 UNL1 0.1143 13 N -0.8283 -0.6395 -0.3285 N.ar 1 UNL1 -0.3924 14 C -2.1978 -1.1230 -0.5520 C.3 1 UNL1 -0.1066 15 C -3.2813 -0.1189 -0.2337 C.ar 1 UNL1 0.0295 16 C -4.6156 -0.5201 -0.3655 C.ar 1 UNL1 -0.1259 17 C -4.9719 -1.9080 -0.7837 C.3 1 UNL1 -0.4289 18 C -2.9677 1.1709 0.1941 C.ar 1 UNL1 -0.2500 19 C -3.9810 2.0815 0.4832 C.ar 1 UNL1 -0.0659 20 C -5.3115 1.7130 0.3602 C.ar 1 UNL1 -0.2907 21 C -5.6362 0.4046 -0.0454 C.ar 1 UNL1 0.2431 22 N -6.9820 0.0330 -0.0481 N.pl3 1 UNL1 -0.6276 23 H 9.0227 -1.5712 -0.0128 H 1 UNL1 0.1436 24 H 9.0277 -0.7426 -1.5736 H 1 UNL1 0.1424 25 H 10.0913 -0.1888 -0.2758 H 1 UNL1 0.1404 26 H 8.1167 0.5313 1.0930 H 1 UNL1 0.1340 27 H 8.1083 1.3475 -0.4724 H 1 UNL1 0.1327 28 H 6.4949 -0.3994 -1.3714 H 1 UNL1 0.1368 29 H 6.5038 -1.2115 0.1952 H 1 UNL1 0.1394 30 H 5.6336 0.9109 1.2952 H 1 UNL1 0.1384 31 H 5.6072 1.7111 -0.2791 H 1 UNL1 0.1349 32 H 3.9902 -0.0421 -1.1500 H 1 UNL1 0.1413 33 H 4.0296 -0.8620 0.4138 H 1 UNL1 0.1478 34 H 3.1675 1.2609 1.5381 H 1 UNL1 0.1580 35 H 3.1054 2.0616 -0.0325 H 1 UNL1 0.1516 36 H 1.6720 -0.7733 1.9744 H 1 UNL1 0.1888 37 H 1.3800 1.5324 -1.6606 H 1 UNL1 0.1720 38 H -0.8937 0.5644 -2.0601 H 1 UNL1 0.1645 39 H -2.2916 -1.4637 -1.6116 H 1 UNL1 0.1537 40 H -2.3533 -2.0348 0.0944 H 1 UNL1 0.2043 41 H -1.9343 1.4795 0.3292 H 1 UNL1 0.1621 42 H -5.1168 -2.5491 0.1029 H 1 UNL1 0.1680 43 H -5.8957 -1.9531 -1.3754 H 1 UNL1 0.1409 44 H -4.2047 -2.3854 -1.4065 H 1 UNL1 0.1512 45 H -3.7245 3.0879 0.8138 H 1 UNL1 0.1482 46 H -6.0990 2.4214 0.5953 H 1 UNL1 0.1563 47 H -7.2540 -0.7981 -0.5282 H 1 UNL1 0.2884 48 H -7.6702 0.7562 -0.0394 H 1 UNL1 0.2887 @BOND 1 38 12 1 2 37 11 1 3 39 14 1 4 24 1 1 5 44 17 1 6 43 17 1 7 28 3 1 8 12 11 ar 9 12 13 ar 10 32 5 1 11 11 7 ar 12 17 16 1 13 17 42 1 14 14 13 1 15 14 15 1 16 14 40 1 17 47 22 1 18 1 25 1 19 1 23 1 20 1 2 1 21 27 2 1 22 16 15 ar 23 16 21 ar 24 13 9 ar 25 3 2 1 26 3 29 1 27 3 4 1 28 31 4 1 29 15 18 ar 30 5 4 1 31 5 33 1 32 5 6 1 33 22 21 1 34 22 48 1 35 21 20 ar 36 35 6 1 37 2 26 1 38 18 41 1 39 18 19 ar 40 7 6 1 41 7 8 ar 42 4 30 1 43 20 19 ar 44 20 46 1 45 6 34 1 46 19 45 1 47 9 8 ar 48 9 10 2 49 8 36 1