@MOLECULE (1r,4s,4as,8as)-3,4-diformyl-4-hydroxy-4a,8,8-trimethyl-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl acetate 46 47 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.0528 -0.0934 0.5669 O.3 1 UNL1111111111 -0.5282 2 O 1.9655 1.0905 -0.5509 O.3 1 UNL1111111111 -0.4411 3 O -3.0428 0.0894 -2.0832 O.2 1 UNL1111111111 -0.3928 4 O -3.3193 2.6019 0.1676 O.2 1 UNL1111111111 -0.4274 5 O 2.9965 2.3869 0.9650 O.2 1 UNL1111111111 -0.5170 6 C -0.8893 -1.0200 0.3858 C.3 1 UNL1111111111 0.0778 7 C 0.5371 -0.7191 -0.1434 C.3 1 UNL1111111111 -0.1912 8 C 1.5400 -1.8995 0.0059 C.3 1 UNL1111111111 0.1167 9 C -1.4286 -2.3053 -0.2673 C.3 1 UNL1111111111 -0.2902 10 C -1.8148 0.1755 -0.0342 C.3 1 UNL1111111111 0.1641 11 C 0.9090 -3.1636 -0.6258 C.3 1 UNL1111111111 -0.2951 12 C 1.0685 0.5937 0.4599 C.3 1 UNL1111111111 0.1121 13 C -0.4761 -3.4839 -0.0599 C.3 1 UNL1111111111 -0.2599 14 C -0.9748 -1.1345 1.9116 C.3 1 UNL1111111111 -0.4539 15 C 2.8148 -1.5712 -0.8028 C.3 1 UNL1111111111 -0.4713 16 C 1.9743 -2.1916 1.4467 C.3 1 UNL1111111111 -0.4676 17 C -1.2653 1.4855 0.4622 C.2 1 UNL1111111111 -0.2020 18 C 0.0403 1.6669 0.6758 C.2 1 UNL1111111111 -0.1323 19 C -1.9767 0.2787 -1.5606 C.2 1 UNL1111111111 0.2820 20 C -2.2472 2.5655 0.7220 C.2 1 UNL1111111111 0.3547 21 C 2.9074 1.9899 -0.1680 C.2 1 UNL1111111111 0.6306 22 C 3.7484 2.3606 -1.3393 C.3 1 UNL1111111111 -0.5156 23 H 0.4483 -0.5562 -1.2533 H 1 UNL1111111111 0.1574 24 H -1.5972 -2.1561 -1.3507 H 1 UNL1111111111 0.1406 25 H -2.4296 -2.5348 0.1543 H 1 UNL1111111111 0.1654 26 H 1.5839 -4.0260 -0.4740 H 1 UNL1111111111 0.1366 27 H 0.8366 -3.0298 -1.7222 H 1 UNL1111111111 0.1394 28 H 1.6410 0.4144 1.4036 H 1 UNL1111111111 0.1624 29 H -0.4063 -3.7428 1.0126 H 1 UNL1111111111 0.1387 30 H -0.8843 -4.3862 -0.5547 H 1 UNL1111111111 0.1354 31 H -0.4994 -0.2918 2.4208 H 1 UNL1111111111 0.1443 32 H -2.0252 -1.1606 2.2438 H 1 UNL1111111111 0.1754 33 H -0.5108 -2.0550 2.2805 H 1 UNL1111111111 0.1483 34 H 3.4586 -2.4509 -0.9010 H 1 UNL1111111111 0.1425 35 H 3.4060 -0.7899 -0.3151 H 1 UNL1111111111 0.1470 36 H 2.5772 -1.2183 -1.8112 H 1 UNL1111111111 0.1474 37 H 2.3437 -1.2967 1.9576 H 1 UNL1111111111 0.1435 38 H 2.7843 -2.9305 1.4679 H 1 UNL1111111111 0.1472 39 H 1.1555 -2.6019 2.0482 H 1 UNL1111111111 0.1541 40 H 0.4582 2.6152 1.0266 H 1 UNL1111111111 0.1737 41 H -1.0855 0.5402 -2.1409 H 1 UNL1111111111 0.1185 42 H -3.7678 0.4390 0.1325 H 1 UNL1111111111 0.3489 43 H -1.9611 3.3458 1.4407 H 1 UNL1111111111 0.1194 44 H 3.1355 2.6943 -2.1918 H 1 UNL1111111111 0.1883 45 H 4.3444 1.5034 -1.6912 H 1 UNL1111111111 0.1865 46 H 4.4460 3.1733 -1.0810 H 1 UNL1111111111 0.1869 @BOND 1 1 10 1 2 1 42 1 3 2 12 1 4 2 21 1 5 3 19 2 6 4 20 2 7 5 21 2 8 6 7 1 9 6 9 1 10 6 10 1 11 6 14 1 12 7 8 1 13 7 12 1 14 7 23 1 15 8 11 1 16 8 15 1 17 8 16 1 18 9 13 1 19 9 24 1 20 9 25 1 21 10 17 1 22 10 19 1 23 11 13 1 24 11 26 1 25 11 27 1 26 12 18 1 27 12 28 1 28 13 29 1 29 13 30 1 30 14 31 1 31 14 32 1 32 14 33 1 33 15 34 1 34 15 35 1 35 15 36 1 36 16 37 1 37 16 38 1 38 16 39 1 39 17 18 2 40 17 20 1 41 18 40 1 42 19 41 1 43 20 43 1 44 21 22 1 45 22 44 1 46 22 45 1 47 22 46 1