@MOLECULE 6-[(2e,5e)-3,7-dimethyl-2,5-octadien-1-yl]-4,5-dihydroxy-3-methyl-5-propyl-2(5h)-pyridinone 52 52 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.3349 -0.3221 -1.0972 O.3 1 UNL1111111111 -0.5211 2 O 0.5936 2.1451 -0.9525 O.2 1 UNL1111111111 -0.4209 3 O 3.5781 0.5936 2.3797 O.2 1 UNL1111111111 -0.3943 4 N 2.0033 -0.8248 1.5474 N.am 1 UNL1111111111 -0.4967 5 C 0.9740 -0.1661 -0.6233 C.3 1 UNL1111111111 0.1899 6 C 1.8511 -0.5054 -1.8417 C.3 1 UNL1111111111 -0.2864 7 C 1.2426 -1.1210 0.5574 C.2 1 UNL1111111111 0.2372 8 C 1.2200 1.2585 -0.1608 C.2 1 UNL1111111111 0.2248 9 C 3.3442 -0.5524 -1.5146 C.3 1 UNL1111111111 -0.2600 10 C 0.5243 -2.4419 0.5340 C.3 1 UNL1111111111 -0.2756 11 C 1.9972 1.5695 0.8954 C.2 1 UNL1111111111 -0.3166 12 C 2.6212 0.4668 1.6635 C.2 1 UNL1111111111 0.5769 13 C -0.8325 -2.2056 1.1156 C.2 1 UNL1111111111 -0.2409 14 C 4.1583 -0.8040 -2.7823 C.3 1 UNL1111111111 -0.4321 15 C -1.9890 -2.3475 0.4536 C.2 1 UNL1111111111 0.0664 16 C 2.2832 2.9527 1.3409 C.3 1 UNL1111111111 -0.4111 17 C -3.2706 -1.8956 1.1031 C.3 1 UNL1111111111 -0.3037 18 C -2.0958 -2.8697 -0.9369 C.3 1 UNL1111111111 -0.4654 19 C -3.2834 -0.3950 1.0569 C.2 1 UNL1111111111 -0.1768 20 C -3.5407 1.7751 -0.1476 C.3 1 UNL1111111111 -0.0726 21 C -3.5799 0.2782 -0.0580 C.2 1 UNL1111111111 -0.1676 22 C -4.9778 2.3078 -0.2409 C.3 1 UNL1111111111 -0.4439 23 C -2.7300 2.1928 -1.3804 C.3 1 UNL1111111111 -0.4576 24 H 1.5139 -1.4737 -2.2651 H 1 UNL1111111111 0.1629 25 H 1.6483 0.2428 -2.6377 H 1 UNL1111111111 0.1721 26 H 3.5563 -1.3465 -0.7704 H 1 UNL1111111111 0.1485 27 H 3.6700 0.3956 -1.0423 H 1 UNL1111111111 0.1453 28 H 0.4829 -2.8484 -0.4972 H 1 UNL1111111111 0.1663 29 H 1.0753 -3.1991 1.1412 H 1 UNL1111111111 0.1824 30 H -1.0059 -0.1509 -0.3871 H 1 UNL1111111111 0.3401 31 H -0.8131 -1.8620 2.1516 H 1 UNL1111111111 0.1641 32 H 3.8854 -1.7536 -3.2558 H 1 UNL1111111111 0.1430 33 H 5.2314 -0.8452 -2.5596 H 1 UNL1111111111 0.1466 34 H 4.0088 -0.0095 -3.5223 H 1 UNL1111111111 0.1436 35 H 1.4317 3.3911 1.8836 H 1 UNL1111111111 0.1555 36 H 2.5482 3.6210 0.5103 H 1 UNL1111111111 0.1439 37 H 3.1410 2.9806 2.0394 H 1 UNL1111111111 0.1823 38 H 0.7563 3.0850 -0.6622 H 1 UNL1111111111 0.3303 39 H -4.1613 -2.3189 0.5966 H 1 UNL1111111111 0.1554 40 H -3.3395 -2.2641 2.1472 H 1 UNL1111111111 0.1572 41 H -3.1130 -2.8073 -1.3433 H 1 UNL1111111111 0.1516 42 H -1.4477 -2.3068 -1.6316 H 1 UNL1111111111 0.1790 43 H -1.7907 -3.9246 -0.9903 H 1 UNL1111111111 0.1585 44 H -3.0032 0.0993 1.9834 H 1 UNL1111111111 0.1489 45 H -3.0572 2.2089 0.7627 H 1 UNL1111111111 0.1349 46 H -3.8683 -0.2277 -0.9781 H 1 UNL1111111111 0.1494 47 H -2.6468 3.2814 -1.4514 H 1 UNL1111111111 0.1425 48 H -1.7101 1.7832 -1.3513 H 1 UNL1111111111 0.1631 49 H -3.1896 1.8359 -2.3083 H 1 UNL1111111111 0.1471 50 H -5.5655 2.0135 0.6357 H 1 UNL1111111111 0.1448 51 H -4.9903 3.4010 -0.3004 H 1 UNL1111111111 0.1434 52 H -5.4920 1.9226 -1.1279 H 1 UNL1111111111 0.1457 @BOND 1 1 5 1 2 1 30 1 3 2 8 1 4 2 38 1 5 3 12 2 6 4 7 2 7 4 12 1 8 5 6 1 9 5 7 1 10 5 8 1 11 6 9 1 12 6 24 1 13 6 25 1 14 7 10 1 15 8 11 2 16 9 14 1 17 9 26 1 18 9 27 1 19 10 13 1 20 10 28 1 21 10 29 1 22 11 12 1 23 11 16 1 24 13 15 2 25 13 31 1 26 14 32 1 27 14 33 1 28 14 34 1 29 15 17 1 30 15 18 1 31 16 35 1 32 16 36 1 33 16 37 1 34 17 19 1 35 17 39 1 36 17 40 1 37 18 41 1 38 18 42 1 39 18 43 1 40 19 21 2 41 19 44 1 42 20 21 1 43 20 22 1 44 20 23 1 45 20 45 1 46 21 46 1 47 22 50 1 48 22 51 1 49 22 52 1 50 23 47 1 51 23 48 1 52 23 49 1