@MOLECULE 3-(5,6-dichloro-2,4-dimethylhexanoyl)-2-hydroxy-5,6-dimethoxy-4(1h)-pyridinone 44 44 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL -3.5874 -1.9687 -0.6419 Cl 1 UNL1 -0.1869 2 CL 0.6029 -1.9708 0.1402 Cl 1 UNL1 -0.1826 3 O -0.7842 3.2290 0.7008 O.2 1 UNL1 -0.4429 4 O 1.0140 1.5642 1.9482 O.3 1 UNL1 -0.3966 5 O 3.3490 0.2391 1.3935 O.3 1 UNL1 -0.2812 6 O -0.3335 0.8962 -2.5229 O.2 1 UNL1 -0.5073 7 O 3.7141 -0.6033 -1.4446 O.3 1 UNL1 -0.3250 8 N 1.7004 0.2409 -1.8801 N.ar 1 UNL1 -0.5340 9 C -2.0680 -0.4465 1.0221 C.3 1 UNL1 -0.1134 10 C -2.8832 0.8299 0.7392 C.3 1 UNL1 -0.2824 11 C -2.2858 1.7173 -0.3649 C.3 1 UNL1 -0.1910 12 C -1.9646 -1.3242 -0.2251 C.3 1 UNL1 -0.0396 13 C -2.6756 -1.1846 2.2179 C.3 1 UNL1 -0.4531 14 C -0.9144 2.2067 0.0754 C.2 1 UNL1 0.5288 15 C -3.1934 2.9239 -0.6136 C.3 1 UNL1 -0.4336 16 C -1.0751 -2.5405 -0.0766 C.3 1 UNL1 -0.1940 17 C 0.2643 1.3767 -0.2564 C.ar 1 UNL1 -0.5155 18 C 1.2392 1.1473 0.6965 C.ar 1 UNL1 0.4487 19 C 0.4306 0.8713 -1.5832 C.ar 1 UNL1 0.6413 20 C 2.4351 0.4372 0.3930 C.ar 1 UNL1 -0.2599 21 C 2.6483 0.0277 -0.9156 C.ar 1 UNL1 0.4784 22 C 3.0686 -0.9424 2.1550 C.3 1 UNL1 -0.2297 23 C 4.9131 -0.6209 -0.6665 C.3 1 UNL1 -0.1676 24 H -1.0266 -0.1324 1.3078 H 1 UNL1 0.1665 25 H -3.9242 0.5645 0.4682 H 1 UNL1 0.1566 26 H -2.9662 1.4194 1.6754 H 1 UNL1 0.1555 27 H -2.2036 1.1395 -1.3200 H 1 UNL1 0.1761 28 H -1.6731 -0.7154 -1.1194 H 1 UNL1 0.1854 29 H -3.7288 -1.4436 2.0547 H 1 UNL1 0.1587 30 H -2.6364 -0.5614 3.1204 H 1 UNL1 0.1512 31 H -2.1415 -2.1107 2.4440 H 1 UNL1 0.1406 32 H -3.2710 3.5574 0.2803 H 1 UNL1 0.1588 33 H -2.7952 3.5557 -1.4179 H 1 UNL1 0.1531 34 H -4.2025 2.6141 -0.9026 H 1 UNL1 0.1427 35 H -1.3112 -3.1597 0.8050 H 1 UNL1 0.1662 36 H -1.0680 -3.1829 -0.9757 H 1 UNL1 0.1696 37 H 1.8545 -0.0902 -2.8332 H 1 UNL1 0.3399 38 H 1.8279 1.4417 2.5218 H 1 UNL1 0.3426 39 H 3.8436 -0.9188 2.9289 H 1 UNL1 0.1448 40 H 3.1659 -1.8384 1.5356 H 1 UNL1 0.1365 41 H 2.0693 -0.9010 2.5983 H 1 UNL1 0.1394 42 H 5.1421 0.3701 -0.2576 H 1 UNL1 0.1562 43 H 4.8227 -1.3641 0.1318 H 1 UNL1 0.1449 44 H 5.6590 -0.9264 -1.4131 H 1 UNL1 0.1539 @BOND 1 37 8 1 2 6 19 2 3 8 19 ar 4 8 21 ar 5 19 17 ar 6 7 21 1 7 7 23 1 8 33 15 1 9 44 23 1 10 27 11 1 11 28 12 1 12 36 16 1 13 21 20 ar 14 34 15 1 15 23 42 1 16 23 43 1 17 1 12 1 18 15 11 1 19 15 32 1 20 11 14 1 21 11 10 1 22 17 14 1 23 17 18 ar 24 12 16 1 25 12 9 1 26 16 2 1 27 16 35 1 28 14 3 2 29 20 18 ar 30 20 5 1 31 25 10 1 32 18 4 1 33 10 9 1 34 10 26 1 35 9 24 1 36 9 13 1 37 5 22 1 38 40 22 1 39 4 38 1 40 29 13 1 41 22 41 1 42 22 39 1 43 13 31 1 44 13 30 1