@MOLECULE 3-hydroxy-5-(hydroxymethyl)-2-{[(1s,4as,8as)-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]methyl}-1,4-benzoquinone 56 58 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.6161 1.7051 1.6975 O.2 1 UNL1111111111 -0.4198 2 O -0.9738 -2.3176 -0.0499 O.2 1 UNL1111111111 -0.3909 3 O -5.0020 1.0616 0.6124 O.2 1 UNL1111111111 -0.4318 4 O -6.2036 -0.0881 -1.5198 O.3 1 UNL1111111111 -0.5303 5 C 2.1967 0.0828 0.5693 C.3 1 UNL1111111111 0.0850 6 C 3.0673 0.0568 -0.7242 C.3 1 UNL1111111111 -0.1479 7 C 4.5510 -0.3621 -0.5370 C.3 1 UNL1111111111 0.1060 8 C 0.7101 0.2576 0.0861 C.3 1 UNL1111111111 -0.1513 9 C 2.3476 -1.2798 1.2800 C.3 1 UNL1111111111 -0.2998 10 C 2.9316 1.3893 -1.4774 C.3 1 UNL1111111111 -0.2738 11 C 4.6107 -1.6837 0.2635 C.3 1 UNL1111111111 -0.2959 12 C 3.8137 -1.6132 1.5659 C.3 1 UNL1111111111 -0.2585 13 C 2.5333 1.2168 1.5401 C.3 1 UNL1111111111 -0.4644 14 C 1.4695 1.6153 -1.8876 C.3 1 UNL1111111111 -0.3011 15 C 0.5893 1.5548 -0.6713 C.2 1 UNL1111111111 0.0590 16 C 5.1612 -0.6526 -1.9298 C.3 1 UNL1111111111 -0.4732 17 C 5.4244 0.7048 0.1339 C.3 1 UNL1111111111 -0.4633 18 C -0.2998 0.1260 1.2457 C.3 1 UNL1111111111 -0.2543 19 C -0.1950 2.5824 -0.3429 C.2 1 UNL1111111111 -0.3965 20 C -1.6635 -0.2023 0.7462 C.2 1 UNL1111111111 -0.1640 21 C -2.7366 0.5859 0.9536 C.2 1 UNL1111111111 0.1359 22 C -1.8424 -1.4819 0.0272 C.2 1 UNL1111111111 0.4430 23 C -4.0896 0.2934 0.3945 C.2 1 UNL1111111111 0.4151 24 C -3.1716 -1.7415 -0.6014 C.2 1 UNL1111111111 -0.2080 25 C -4.2244 -0.9370 -0.4188 C.2 1 UNL1111111111 -0.1249 26 C -5.5796 -1.2327 -0.9939 C.3 1 UNL1111111111 0.0043 27 H 2.6182 -0.7439 -1.3739 H 1 UNL1111111111 0.1390 28 H 0.5068 -0.5767 -0.6362 H 1 UNL1111111111 0.1579 29 H 1.8949 -2.0773 0.6582 H 1 UNL1111111111 0.1490 30 H 1.7821 -1.2826 2.2306 H 1 UNL1111111111 0.1352 31 H 3.5750 1.3966 -2.3762 H 1 UNL1111111111 0.1368 32 H 3.2813 2.2265 -0.8460 H 1 UNL1111111111 0.1451 33 H 5.6636 -1.9414 0.4778 H 1 UNL1111111111 0.1332 34 H 4.2184 -2.5095 -0.3610 H 1 UNL1111111111 0.1386 35 H 4.2536 -0.8624 2.2478 H 1 UNL1111111111 0.1367 36 H 3.8803 -2.5795 2.1006 H 1 UNL1111111111 0.1292 37 H 2.3563 2.1998 1.0872 H 1 UNL1111111111 0.1545 38 H 3.5804 1.1837 1.8586 H 1 UNL1111111111 0.1485 39 H 1.9180 1.1621 2.4442 H 1 UNL1111111111 0.1425 40 H 1.1525 0.8493 -2.6232 H 1 UNL1111111111 0.1472 41 H 1.3721 2.5858 -2.4112 H 1 UNL1111111111 0.1456 42 H 5.2635 0.2614 -2.5223 H 1 UNL1111111111 0.1444 43 H 4.5457 -1.3528 -2.5021 H 1 UNL1111111111 0.1433 44 H 6.1602 -1.0901 -1.8368 H 1 UNL1111111111 0.1427 45 H 5.3754 1.6597 -0.3982 H 1 UNL1111111111 0.1441 46 H 6.4749 0.3956 0.1582 H 1 UNL1111111111 0.1416 47 H 5.1185 0.8880 1.1701 H 1 UNL1111111111 0.1483 48 H -0.3022 1.0555 1.8556 H 1 UNL1111111111 0.1699 49 H 0.0263 -0.6784 1.9436 H 1 UNL1111111111 0.1640 50 H -0.8391 2.6077 0.5201 H 1 UNL1111111111 0.1593 51 H -0.2527 3.4922 -0.9160 H 1 UNL1111111111 0.1441 52 H -3.2146 -2.6476 -1.2105 H 1 UNL1111111111 0.1856 53 H -3.4787 2.2149 1.7205 H 1 UNL1111111111 0.3465 54 H -6.2392 -1.6859 -0.2230 H 1 UNL1111111111 0.1359 55 H -5.5324 -1.9112 -1.8718 H 1 UNL1111111111 0.1566 56 H -6.2422 0.6229 -0.8389 H 1 UNL1111111111 0.3361 @BOND 1 1 21 1 2 1 53 1 3 2 22 2 4 3 23 2 5 4 26 1 6 4 56 1 7 5 6 1 8 5 8 1 9 5 9 1 10 5 13 1 11 6 7 1 12 6 10 1 13 6 27 1 14 7 11 1 15 7 16 1 16 7 17 1 17 8 15 1 18 8 18 1 19 8 28 1 20 9 12 1 21 9 29 1 22 9 30 1 23 10 14 1 24 10 31 1 25 10 32 1 26 11 12 1 27 11 33 1 28 11 34 1 29 12 35 1 30 12 36 1 31 13 37 1 32 13 38 1 33 13 39 1 34 14 15 1 35 14 40 1 36 14 41 1 37 15 19 2 38 16 42 1 39 16 43 1 40 16 44 1 41 17 45 1 42 17 46 1 43 17 47 1 44 18 20 1 45 18 48 1 46 18 49 1 47 19 50 1 48 19 51 1 49 20 21 2 50 20 22 1 51 21 23 1 52 22 24 1 53 23 25 1 54 24 25 2 55 24 52 1 56 25 26 1 57 26 54 1 58 26 55 1