@MOLECULE (6ar,9s,10s,10ar)-6,6,9-trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydro-6h-benzo[c]chromene-1,9,10-triol 57 59 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.1252 -2.0745 -0.5259 O.3 1 UNL1111111111 -0.3658 2 O 2.5811 1.3043 -1.5772 O.3 1 UNL1111111111 -0.5633 3 O 4.3109 1.3151 1.5607 O.3 1 UNL1111111111 -0.5745 4 O 0.2830 2.4833 0.8209 O.3 1 UNL1111111111 -0.4753 5 C 2.3429 -1.1846 -0.1891 C.3 1 UNL1111111111 -0.1821 6 C 1.7904 0.1299 0.4037 C.3 1 UNL1111111111 -0.1319 7 C 2.6446 1.2865 -0.1633 C.3 1 UNL1111111111 0.0883 8 C 1.3935 -2.3516 0.1133 C.3 1 UNL1111111111 0.2995 9 C 4.1548 1.0992 0.1672 C.3 1 UNL1111111111 0.3114 10 C 3.7714 -1.4138 0.3128 C.3 1 UNL1111111111 -0.2678 11 C 4.6760 -0.2941 -0.2138 C.3 1 UNL1111111111 -0.3331 12 C 0.3408 0.2668 0.0739 C.ar 1 UNL1111111111 -0.2933 13 C -0.3862 -0.8344 -0.4019 C.ar 1 UNL1111111111 0.3294 14 C 1.8087 -3.6450 -0.5921 C.3 1 UNL1111111111 -0.4791 15 C 1.1213 -2.5840 1.5965 C.3 1 UNL1111111111 -0.4973 16 C 4.9817 2.2102 -0.4760 C.3 1 UNL1111111111 -0.4689 17 C -0.3864 1.4505 0.2482 C.ar 1 UNL1111111111 0.3450 18 C -1.7272 -0.7353 -0.8033 C.ar 1 UNL1111111111 -0.3573 19 C -2.3856 0.4819 -0.6723 C.ar 1 UNL1111111111 0.1601 20 C -1.7238 1.5853 -0.1265 C.ar 1 UNL1111111111 -0.4117 21 C -3.8216 0.6015 -1.0836 C.3 1 UNL1111111111 -0.2972 22 C -4.7244 0.1969 0.0929 C.3 1 UNL1111111111 -0.2579 23 C -6.2026 0.3192 -0.2919 C.3 1 UNL1111111111 -0.2736 24 C -7.1028 -0.0631 0.8907 C.3 1 UNL1111111111 -0.2513 25 C -8.5791 0.0530 0.5125 C.3 1 UNL1111111111 -0.4410 26 H 2.3781 -1.0670 -1.3079 H 1 UNL1111111111 0.1766 27 H 1.9035 0.1321 1.5181 H 1 UNL1111111111 0.1545 28 H 2.3036 2.2773 0.2118 H 1 UNL1111111111 0.1539 29 H 4.1525 -2.3922 -0.0365 H 1 UNL1111111111 0.1412 30 H 3.8023 -1.4584 1.4162 H 1 UNL1111111111 0.1328 31 H 5.7051 -0.4199 0.1700 H 1 UNL1111111111 0.1490 32 H 4.7450 -0.3549 -1.3191 H 1 UNL1111111111 0.1636 33 H 2.6521 -4.1235 -0.0858 H 1 UNL1111111111 0.1548 34 H 0.9764 -4.3624 -0.6091 H 1 UNL1111111111 0.1647 35 H 2.0903 -3.4625 -1.6362 H 1 UNL1111111111 0.1607 36 H 0.4058 -3.4043 1.7387 H 1 UNL1111111111 0.1622 37 H 2.0364 -2.8379 2.1398 H 1 UNL1111111111 0.1548 38 H 0.6795 -1.6977 2.0699 H 1 UNL1111111111 0.1649 39 H 4.7272 3.1847 -0.0385 H 1 UNL1111111111 0.1615 40 H 6.0537 2.0570 -0.3172 H 1 UNL1111111111 0.1496 41 H 4.7870 2.2656 -1.5553 H 1 UNL1111111111 0.1689 42 H 1.6453 1.2780 -1.8664 H 1 UNL1111111111 0.3249 43 H 3.9287 0.5840 2.0787 H 1 UNL1111111111 0.3128 44 H -2.2316 -1.6134 -1.1939 H 1 UNL1111111111 0.1805 45 H -2.2452 2.5238 0.0106 H 1 UNL1111111111 0.1665 46 H -4.0579 1.6343 -1.4080 H 1 UNL1111111111 0.1503 47 H -4.0337 -0.0388 -1.9638 H 1 UNL1111111111 0.1543 48 H -0.2835 3.2878 0.9193 H 1 UNL1111111111 0.3311 49 H -4.5030 0.8313 0.9722 H 1 UNL1111111111 0.1417 50 H -4.4940 -0.8403 0.4043 H 1 UNL1111111111 0.1452 51 H -6.4283 1.3511 -0.6190 H 1 UNL1111111111 0.1355 52 H -6.4256 -0.3290 -1.1599 H 1 UNL1111111111 0.1374 53 H -6.8834 0.5862 1.7593 H 1 UNL1111111111 0.1341 54 H -6.8771 -1.0952 1.2199 H 1 UNL1111111111 0.1353 55 H -8.8320 -0.6076 -0.3243 H 1 UNL1111111111 0.1425 56 H -9.2271 -0.2188 1.3531 H 1 UNL1111111111 0.1409 57 H -8.8380 1.0753 0.2151 H 1 UNL1111111111 0.1420 @BOND 1 1 8 1 2 1 13 1 3 2 7 1 4 2 42 1 5 3 9 1 6 3 43 1 7 4 17 1 8 4 48 1 9 5 6 1 10 5 8 1 11 5 10 1 12 5 26 1 13 6 7 1 14 6 12 1 15 6 27 1 16 7 9 1 17 7 28 1 18 8 14 1 19 8 15 1 20 9 11 1 21 9 16 1 22 10 11 1 23 10 29 1 24 10 30 1 25 11 31 1 26 11 32 1 27 12 13 ar 28 12 17 ar 29 13 18 ar 30 14 33 1 31 14 34 1 32 14 35 1 33 15 36 1 34 15 37 1 35 15 38 1 36 16 39 1 37 16 40 1 38 16 41 1 39 17 20 ar 40 18 19 ar 41 18 44 1 42 19 20 ar 43 19 21 1 44 20 45 1 45 21 22 1 46 21 46 1 47 21 47 1 48 22 23 1 49 22 49 1 50 22 50 1 51 23 24 1 52 23 51 1 53 23 52 1 54 24 25 1 55 24 53 1 56 24 54 1 57 25 55 1 58 25 56 1 59 25 57 1