@MOLECULE (2r,3s,11ar,11br)-9,11a,11b-trihydroxy-7-[(2s,3r)-3-hydroxy-2-butanyl]-2,3,4,8-tetramethyl-2,3,11a,11b-tetrahydro-5h-furo[3,2-c]xanthen-5-one 58 61 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.1344 -1.8007 -0.2378 O.3 1 UNL1111111111 -0.4151 2 O -0.3020 -1.5662 0.1587 O.3 1 UNL1111111111 -0.3566 3 O -2.3828 -0.9374 1.7342 O.3 1 UNL1111111111 -0.5483 4 O -1.2109 -0.4642 -1.6180 O.3 1 UNL1111111111 -0.5327 5 O -1.0466 3.0692 0.8176 O.2 1 UNL1111111111 -0.4650 6 O 3.4381 1.2473 -2.0164 O.3 1 UNL1111111111 -0.5682 7 O 3.9272 -3.6079 0.2398 O.3 1 UNL1111111111 -0.4614 8 C -2.5079 -0.7020 0.3613 C.3 1 UNL1111111111 0.4309 9 C -4.7553 -0.0033 -0.1547 C.3 1 UNL1111111111 -0.1393 10 C -3.3898 0.5114 0.1723 C.2 1 UNL1111111111 -0.0449 11 C -1.0913 -0.4410 -0.2307 C.3 1 UNL1111111111 0.4311 12 C -4.4606 -1.4437 -0.6708 C.3 1 UNL1111111111 0.1434 13 C -0.5371 0.8584 0.2518 C.2 1 UNL1111111111 -0.3509 14 C -2.9129 1.7571 0.2153 C.2 1 UNL1111111111 -0.0852 15 C -1.4581 1.9849 0.4672 C.2 1 UNL1111111111 0.4954 16 C -5.6287 -0.0237 1.0981 C.3 1 UNL1111111111 -0.4426 17 C -4.4498 -1.5258 -2.1901 C.3 1 UNL1111111111 -0.4881 18 C 0.7866 0.9722 0.4904 C.2 1 UNL1111111111 0.0673 19 C 1.6645 -0.1555 0.3171 C.ar 1 UNL1111111111 -0.2865 20 C 1.0398 -1.4134 0.2065 C.ar 1 UNL1111111111 0.3556 21 C -3.7247 2.9791 -0.0023 C.3 1 UNL1111111111 -0.4320 22 C 3.0770 -0.0900 0.2982 C.ar 1 UNL1111111111 0.1537 23 C 3.8037 1.2339 0.2893 C.3 1 UNL1111111111 -0.1491 24 C 3.8237 -1.2689 0.2799 C.ar 1 UNL1111111111 -0.1545 25 C 1.7575 -2.6101 0.1911 C.ar 1 UNL1111111111 -0.4289 26 C 3.3407 2.1153 -0.8974 C.3 1 UNL1111111111 0.1768 27 C 3.1423 -2.5043 0.2408 C.ar 1 UNL1111111111 0.3556 28 C 3.6559 1.9490 1.6342 C.3 1 UNL1111111111 -0.4442 29 C 5.3149 -1.2901 0.2797 C.3 1 UNL1111111111 -0.4182 30 C 4.2412 3.3346 -1.0888 C.3 1 UNL1111111111 -0.5100 31 H -5.2433 0.6048 -0.9488 H 1 UNL1111111111 0.1574 32 H -5.1121 -2.2100 -0.2070 H 1 UNL1111111111 0.1341 33 H -5.1488 -0.6018 1.9031 H 1 UNL1111111111 0.1693 34 H -6.6095 -0.4668 0.9023 H 1 UNL1111111111 0.1414 35 H -5.7884 0.9886 1.4883 H 1 UNL1111111111 0.1505 36 H -3.6935 -0.8447 -2.6115 H 1 UNL1111111111 0.1757 37 H -5.4219 -1.2813 -2.6241 H 1 UNL1111111111 0.1443 38 H -4.1677 -2.5334 -2.5232 H 1 UNL1111111111 0.1623 39 H 1.2008 1.9200 0.8579 H 1 UNL1111111111 0.1741 40 H -2.0270 -1.8428 1.8964 H 1 UNL1111111111 0.3439 41 H -3.5897 3.3663 -1.0249 H 1 UNL1111111111 0.1617 42 H -4.7983 2.8124 0.1518 H 1 UNL1111111111 0.1511 43 H -3.4154 3.7894 0.6823 H 1 UNL1111111111 0.1771 44 H -0.3493 -0.2687 -2.0518 H 1 UNL1111111111 0.3346 45 H 4.8996 1.0502 0.1198 H 1 UNL1111111111 0.1666 46 H 1.2416 -3.5605 0.1260 H 1 UNL1111111111 0.1894 47 H 2.2735 2.4170 -0.8152 H 1 UNL1111111111 0.1262 48 H 4.4156 2.7292 1.7560 H 1 UNL1111111111 0.1462 49 H 3.7770 1.2434 2.4675 H 1 UNL1111111111 0.1586 50 H 2.6768 2.4276 1.7588 H 1 UNL1111111111 0.1549 51 H 5.7335 -0.7225 1.1220 H 1 UNL1111111111 0.1480 52 H 5.7251 -2.3094 0.3588 H 1 UNL1111111111 0.1688 53 H 5.7167 -0.8686 -0.6554 H 1 UNL1111111111 0.1584 54 H 4.2255 3.9867 -0.2076 H 1 UNL1111111111 0.1606 55 H 3.9206 3.9394 -1.9443 H 1 UNL1111111111 0.1500 56 H 5.2825 3.0392 -1.2655 H 1 UNL1111111111 0.1583 57 H 3.4546 1.7483 -2.8515 H 1 UNL1111111111 0.3167 58 H 3.3973 -4.4438 0.2049 H 1 UNL1111111111 0.3321 @BOND 1 1 8 1 2 1 12 1 3 2 11 1 4 2 20 1 5 3 8 1 6 3 40 1 7 4 11 1 8 4 44 1 9 5 15 2 10 6 26 1 11 6 57 1 12 7 27 1 13 7 58 1 14 8 10 1 15 8 11 1 16 9 10 1 17 9 12 1 18 9 16 1 19 9 31 1 20 10 14 2 21 11 13 1 22 12 17 1 23 12 32 1 24 13 15 1 25 13 18 2 26 14 15 1 27 14 21 1 28 16 33 1 29 16 34 1 30 16 35 1 31 17 36 1 32 17 37 1 33 17 38 1 34 18 19 1 35 18 39 1 36 19 20 ar 37 19 22 ar 38 20 25 ar 39 21 41 1 40 21 42 1 41 21 43 1 42 22 23 1 43 22 24 ar 44 23 26 1 45 23 28 1 46 23 45 1 47 24 27 ar 48 24 29 1 49 25 27 ar 50 25 46 1 51 26 30 1 52 26 47 1 53 28 48 1 54 28 49 1 55 28 50 1 56 29 51 1 57 29 52 1 58 29 53 1 59 30 54 1 60 30 55 1 61 30 56 1