@MOLECULE 1-(2-chlorobenzyl)-4-hexyl-2(1h)-pyridinone 43 44 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.1352 -2.4468 -0.8619 O.2 1 UNL1 -0.5485 2 C -0.4858 -1.4697 -0.5440 C.ar 1 UNL1 0.5965 3 C 0.7723 -1.4521 0.1575 C.ar 1 UNL1 -0.3942 4 C 1.4155 -0.2845 0.4464 C.ar 1 UNL1 0.1744 5 C 2.7311 -0.2773 1.1616 C.3 1 UNL1 -0.3015 6 C 3.8607 -0.0501 0.1444 C.3 1 UNL1 -0.2556 7 C 5.2254 -0.0170 0.8412 C.3 1 UNL1 -0.2758 8 C 6.3421 0.2003 -0.1883 C.3 1 UNL1 -0.2725 9 C 7.7177 0.2201 0.4909 C.3 1 UNL1 -0.2523 10 C 8.8289 0.4305 -0.5380 C.3 1 UNL1 -0.4398 11 C 0.8412 0.9570 0.0476 C.ar 1 UNL1 -0.3637 12 C -0.3589 0.9733 -0.6161 C.ar 1 UNL1 0.1170 13 C -3.9585 0.8237 0.1403 C.ar 1 UNL1 0.0251 14 C -4.9568 0.7149 1.0986 C.ar 1 UNL1 -0.1794 15 C -5.4349 -0.5550 1.4181 C.ar 1 UNL1 -0.1161 16 C -4.9073 -1.6798 0.7850 C.ar 1 UNL1 -0.1577 17 C -3.9073 -1.5429 -0.1749 C.ar 1 UNL1 -0.1028 18 C -3.4226 -0.2774 -0.5181 C.ar 1 UNL1 -0.0725 19 N -1.0141 -0.1932 -0.9169 N.ar 1 UNL1 -0.3941 20 C -2.3397 -0.1603 -1.5574 C.3 1 UNL1 -0.0830 21 CL -3.3721 2.3940 -0.2208 Cl 1 UNL1 -0.1053 22 H 1.1656 -2.4261 0.4379 H 1 UNL1 0.1890 23 H 2.7486 0.5139 1.9385 H 1 UNL1 0.1563 24 H 2.8976 -1.2291 1.7061 H 1 UNL1 0.1561 25 H 1.3589 1.8828 0.2732 H 1 UNL1 0.1751 26 H 3.8425 -0.8505 -0.6208 H 1 UNL1 0.1460 27 H 3.6909 0.8955 -0.4053 H 1 UNL1 0.1415 28 H 5.2480 0.7862 1.6007 H 1 UNL1 0.1359 29 H 5.3963 -0.9608 1.3920 H 1 UNL1 0.1384 30 H 6.3125 -0.5974 -0.9543 H 1 UNL1 0.1387 31 H 6.1775 1.1484 -0.7335 H 1 UNL1 0.1367 32 H 7.7523 1.0204 1.2539 H 1 UNL1 0.1330 33 H 7.8844 -0.7269 1.0380 H 1 UNL1 0.1341 34 H 8.8391 -0.3701 -1.2862 H 1 UNL1 0.1433 35 H 8.7063 1.3791 -1.0723 H 1 UNL1 0.1424 36 H 9.8147 0.4470 -0.0602 H 1 UNL1 0.1407 37 H -0.8216 1.9135 -0.9399 H 1 UNL1 0.1696 38 H -5.3597 1.5956 1.5973 H 1 UNL1 0.1715 39 H -6.2178 -0.6672 2.1671 H 1 UNL1 0.1565 40 H -5.2732 -2.6727 1.0449 H 1 UNL1 0.1616 41 H -3.4795 -2.4320 -0.6532 H 1 UNL1 0.1898 42 H -2.4026 -1.0215 -2.2776 H 1 UNL1 0.1861 43 H -2.4498 0.7580 -2.1776 H 1 UNL1 0.1593 @BOND 1 42 20 1 2 43 20 1 3 20 19 1 4 20 18 1 5 34 10 1 6 35 10 1 7 30 8 1 8 37 12 1 9 19 12 ar 10 19 2 ar 11 1 2 2 12 31 8 1 13 41 17 1 14 26 6 1 15 12 11 ar 16 2 3 ar 17 10 36 1 18 10 9 1 19 18 17 ar 20 18 13 ar 21 27 6 1 22 21 13 1 23 8 9 1 24 8 7 1 25 17 16 ar 26 11 25 1 27 11 4 ar 28 13 14 ar 29 6 7 1 30 6 5 1 31 3 22 1 32 3 4 ar 33 4 5 1 34 9 33 1 35 9 32 1 36 16 40 1 37 16 15 ar 38 7 29 1 39 7 28 1 40 14 15 ar 41 14 38 1 42 5 24 1 43 5 23 1 44 15 39 1