@MOLECULE (1as,3s,3as,3br,4r,6as,7s,7ar)-4,7-dihydroxy-3a,5,5-trimethylhexahydro-3ah-spiro[cyclopenta[4,5]pentaleno[1,6a-b]oxirene-3,2'-oxiran]-2(1ah)-one 40 44 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.2144 1.8452 -0.7090 O.3 1 UNL1111111111 -0.2446 2 O 2.3094 -2.0428 -0.8332 O.3 1 UNL1111111111 -0.2638 3 O -0.6770 2.7967 -0.6687 O.3 1 UNL1111111111 -0.5149 4 O -1.8811 -2.2761 -0.4354 O.3 1 UNL1111111111 -0.5517 5 O 3.9817 -0.5019 1.0658 O.2 1 UNL1111111111 -0.3631 6 C 0.6950 -0.1233 -0.4591 C.3 1 UNL1111111111 0.0351 7 C 1.1017 1.3031 -0.0266 C.3 1 UNL1111111111 0.0439 8 C -0.6018 -0.3668 0.3446 C.3 1 UNL1111111111 -0.2021 9 C 1.8603 -0.9977 0.0190 C.3 1 UNL1111111111 -0.0152 10 C 2.4578 1.3085 0.5982 C.3 1 UNL1111111111 -0.1401 11 C -1.0375 0.9920 0.9748 C.3 1 UNL1111111111 -0.1708 12 C -0.1090 2.0954 0.4007 C.3 1 UNL1111111111 0.1316 13 C 2.9481 -0.1196 0.6053 C.2 1 UNL1111111111 0.4271 14 C -1.8283 -0.8761 -0.4378 C.3 1 UNL1111111111 0.1341 15 C -2.5243 1.1841 0.6630 C.3 1 UNL1111111111 -0.3039 16 C 1.7330 -2.4259 0.4157 C.3 1 UNL1111111111 -0.1296 17 C -3.0644 -0.1975 0.2259 C.3 1 UNL1111111111 0.0450 18 C 0.5787 -0.2293 -1.9702 C.3 1 UNL1111111111 -0.4445 19 C -4.2032 -0.0608 -0.7819 C.3 1 UNL1111111111 -0.4637 20 C -3.5471 -0.9911 1.4435 C.3 1 UNL1111111111 -0.4663 21 H -0.3934 -1.0942 1.1615 H 1 UNL1111111111 0.1509 22 H 2.8393 2.0036 1.3359 H 1 UNL1111111111 0.1859 23 H -0.8896 0.9521 2.0763 H 1 UNL1111111111 0.1443 24 H 0.1063 2.9061 1.1293 H 1 UNL1111111111 0.1585 25 H -1.7889 -0.6547 -1.5257 H 1 UNL1111111111 0.1536 26 H -3.0747 1.5753 1.5308 H 1 UNL1111111111 0.1454 27 H -2.6776 1.9369 -0.1336 H 1 UNL1111111111 0.1667 28 H 2.4223 -2.8622 1.1384 H 1 UNL1111111111 0.1645 29 H 0.7744 -2.9396 0.3400 H 1 UNL1111111111 0.1637 30 H 0.3313 -1.2579 -2.2790 H 1 UNL1111111111 0.1768 31 H -0.1753 0.4434 -2.3893 H 1 UNL1111111111 0.1413 32 H 1.5371 0.0189 -2.4565 H 1 UNL1111111111 0.1753 33 H -0.7759 2.2183 -1.4572 H 1 UNL1111111111 0.3179 34 H -4.5030 -1.0429 -1.1715 H 1 UNL1111111111 0.1581 35 H -5.0889 0.3968 -0.3275 H 1 UNL1111111111 0.1486 36 H -3.9218 0.5577 -1.6414 H 1 UNL1111111111 0.1478 37 H -2.7507 -1.1305 2.1813 H 1 UNL1111111111 0.1428 38 H -4.3689 -0.4715 1.9512 H 1 UNL1111111111 0.1523 39 H -3.9322 -1.9770 1.1540 H 1 UNL1111111111 0.1505 40 H -2.0474 -2.6385 0.4560 H 1 UNL1111111111 0.3128 @BOND 1 1 7 1 2 1 10 1 3 2 9 1 4 2 16 1 5 3 12 1 6 3 33 1 7 4 14 1 8 4 40 1 9 5 13 2 10 6 7 1 11 6 8 1 12 6 9 1 13 6 18 1 14 7 10 1 15 7 12 1 16 8 11 1 17 8 14 1 18 8 21 1 19 9 13 1 20 9 16 1 21 10 13 1 22 10 22 1 23 11 12 1 24 11 15 1 25 11 23 1 26 12 24 1 27 14 17 1 28 14 25 1 29 15 17 1 30 15 26 1 31 15 27 1 32 16 28 1 33 16 29 1 34 17 19 1 35 17 20 1 36 18 30 1 37 18 31 1 38 18 32 1 39 19 34 1 40 19 35 1 41 19 36 1 42 20 37 1 43 20 38 1 44 20 39 1