@MOLECULE 3-[(1s,2r,4s,6r)-2,4-dimethyl-6-vinylcyclohexyl]-1,4-dihydroxy-2(1h)-pyridinone 40 41 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.1831 -0.0462 2.3748 O.3 1 UNL1 -0.4453 2 O 1.6631 -0.3171 -2.1108 O.2 1 UNL1 -0.5318 3 O 4.1782 -0.1963 -1.3182 O.3 1 UNL1 -0.2713 4 N 3.1240 -0.1749 -0.4110 N.ar 1 UNL1 -0.2332 5 C -0.6460 -0.2329 -0.3395 C.3 1 UNL1 -0.0745 6 C -1.4153 -1.4295 0.2698 C.3 1 UNL1 -0.0858 7 C -1.3512 1.0992 0.0272 C.3 1 UNL1 -0.1324 8 C -3.5653 -0.1017 0.1351 C.3 1 UNL1 -0.0776 9 C -2.8677 -1.4197 -0.2392 C.3 1 UNL1 -0.2965 10 C -2.8030 1.0816 -0.4829 C.3 1 UNL1 -0.2873 11 C 0.7771 -0.1962 0.1253 C.ar 1 UNL1 -0.3119 12 C -0.7434 -2.7510 -0.1176 C.3 1 UNL1 -0.4534 13 C -5.0154 -0.1108 -0.3599 C.3 1 UNL1 -0.4596 14 C -0.6242 2.2477 -0.6073 C.2 1 UNL1 -0.1077 15 C 1.1641 -0.0921 1.4449 C.ar 1 UNL1 0.3858 16 C 1.7741 -0.2375 -0.9032 C.ar 1 UNL1 0.5798 17 C -0.1904 3.3030 0.0808 C.2 1 UNL1 -0.3518 18 C 2.5248 -0.0295 1.8498 C.ar 1 UNL1 -0.4585 19 C 3.5078 -0.0665 0.8834 C.ar 1 UNL1 0.1489 20 H -0.6705 -0.3449 -1.4572 H 1 UNL1 0.1654 21 H -1.4195 -1.3334 1.3810 H 1 UNL1 0.1439 22 H -1.3606 1.2036 1.1397 H 1 UNL1 0.1542 23 H -3.5626 0.0063 1.2458 H 1 UNL1 0.1303 24 H -3.4198 -2.2749 0.1888 H 1 UNL1 0.1331 25 H -2.8866 -1.5620 -1.3352 H 1 UNL1 0.1428 26 H -3.3006 2.0341 -0.2267 H 1 UNL1 0.1376 27 H -2.8209 1.0130 -1.5859 H 1 UNL1 0.1434 28 H -0.6902 -2.8703 -1.2058 H 1 UNL1 0.1498 29 H -1.2891 -3.6085 0.2876 H 1 UNL1 0.1390 30 H 0.2819 -2.8003 0.2649 H 1 UNL1 0.1437 31 H -5.0677 -0.2109 -1.4495 H 1 UNL1 0.1453 32 H -5.5340 0.8146 -0.0883 H 1 UNL1 0.1420 33 H -5.5784 -0.9432 0.0749 H 1 UNL1 0.1410 34 H -0.4707 2.1545 -1.6829 H 1 UNL1 0.1474 35 H 0.3318 4.1310 -0.3700 H 1 UNL1 0.1420 36 H -0.3204 3.4221 1.1437 H 1 UNL1 0.1411 37 H 2.7840 0.0524 2.8967 H 1 UNL1 0.1810 38 H 4.5799 -0.0155 1.1098 H 1 UNL1 0.1832 39 H 0.5420 0.0342 3.2946 H 1 UNL1 0.3274 40 H 3.7270 -0.2663 -2.2323 H 1 UNL1 0.3304 @BOND 1 40 3 1 2 2 16 2 3 34 14 1 4 27 10 1 5 20 5 1 6 31 13 1 7 25 9 1 8 3 4 1 9 28 12 1 10 16 4 ar 11 16 11 ar 12 14 7 1 13 14 17 2 14 10 26 1 15 10 7 1 16 10 8 1 17 4 19 ar 18 35 17 1 19 13 32 1 20 13 33 1 21 13 8 1 22 5 7 1 23 5 11 1 24 5 6 1 25 9 8 1 26 9 24 1 27 9 6 1 28 12 30 1 29 12 6 1 30 12 29 1 31 7 22 1 32 17 36 1 33 11 15 ar 34 8 23 1 35 6 21 1 36 19 38 1 37 19 18 ar 38 15 18 ar 39 15 1 1 40 18 37 1 41 1 39 1