@MOLECULE (1s,9s,11s)-6-isopropyl-12,12-dimethyl-16-oxatetracyclo[7.6.1.0~1,11~.0~3,8~]hexadeca-3,5,7-triene-4,5-diol 51 54 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.3632 0.2180 -1.6645 O.3 1 UNL1111111111 -0.3942 2 O 1.7029 -2.9382 0.6801 O.3 1 UNL1111111111 -0.4938 3 O 4.0637 -1.6477 0.8255 O.3 1 UNL1111111111 -0.4555 4 C -2.0589 0.3443 0.6149 C.3 1 UNL1111111111 -0.1723 5 C -1.8610 -0.6071 -0.6083 C.3 1 UNL1111111111 0.2722 6 C -3.5409 0.6160 0.9402 C.3 1 UNL1111111111 0.1047 7 C -1.2584 1.6085 0.2045 C.3 1 UNL1111111111 -0.3162 8 C -3.0996 -1.2978 -1.1637 C.3 1 UNL1111111111 -0.3061 9 C -0.4711 1.1318 -1.0375 C.3 1 UNL1111111111 0.1134 10 C -0.7349 -1.6399 -0.3126 C.3 1 UNL1111111111 -0.3412 11 C -4.3162 0.8397 -0.3694 C.3 1 UNL1111111111 -0.2912 12 C -4.3163 -0.3733 -1.3099 C.3 1 UNL1111111111 -0.2483 13 C 0.7532 0.3825 -0.5837 C.ar 1 UNL1111111111 -0.0713 14 C 0.5929 -0.9584 -0.2070 C.ar 1 UNL1111111111 -0.0575 15 C -4.1259 -0.5591 1.7449 C.3 1 UNL1111111111 -0.4651 16 C -3.6743 1.8738 1.8229 C.3 1 UNL1111111111 -0.4698 17 C 1.9861 1.0159 -0.4940 C.ar 1 UNL1111111111 -0.1725 18 C 1.7150 -1.6378 0.2578 C.ar 1 UNL1111111111 0.1117 19 C 3.1114 0.3386 -0.0156 C.ar 1 UNL1111111111 -0.0505 20 C 2.9633 -0.9988 0.3598 C.ar 1 UNL1111111111 0.1754 21 C 4.4471 1.0173 0.1043 C.3 1 UNL1111111111 -0.0549 22 C 4.9205 1.5054 -1.2713 C.3 1 UNL1111111111 -0.4447 23 C 4.3543 2.1850 1.0967 C.3 1 UNL1111111111 -0.4452 24 H -1.5809 -0.1032 1.5147 H 1 UNL1111111111 0.1471 25 H -0.6018 1.9574 1.0128 H 1 UNL1111111111 0.1502 26 H -1.9185 2.4466 -0.0643 H 1 UNL1111111111 0.1475 27 H -3.3580 -2.1601 -0.5194 H 1 UNL1111111111 0.1414 28 H -2.8518 -1.7252 -2.1588 H 1 UNL1111111111 0.1543 29 H -0.2755 1.9065 -1.7977 H 1 UNL1111111111 0.1468 30 H -0.7015 -2.3753 -1.1446 H 1 UNL1111111111 0.1607 31 H -0.9780 -2.2000 0.6092 H 1 UNL1111111111 0.1505 32 H -3.8673 1.7031 -0.9018 H 1 UNL1111111111 0.1452 33 H -5.3580 1.1315 -0.1438 H 1 UNL1111111111 0.1330 34 H -4.3685 -0.0064 -2.3550 H 1 UNL1111111111 0.1389 35 H -5.2380 -0.9648 -1.1518 H 1 UNL1111111111 0.1289 36 H -3.0064 1.8203 2.6888 H 1 UNL1111111111 0.1474 37 H -4.6967 1.9828 2.1996 H 1 UNL1111111111 0.1449 38 H -3.4351 2.7905 1.2759 H 1 UNL1111111111 0.1437 39 H -3.6512 -0.6433 2.7281 H 1 UNL1111111111 0.1432 40 H -3.9935 -1.5155 1.2317 H 1 UNL1111111111 0.1464 41 H -5.2007 -0.4263 1.9064 H 1 UNL1111111111 0.1447 42 H 2.0829 2.0582 -0.7948 H 1 UNL1111111111 0.1603 43 H 5.2056 0.2877 0.4957 H 1 UNL1111111111 0.1578 44 H 0.8991 -3.4138 0.3638 H 1 UNL1111111111 0.3355 45 H 3.8420 -2.5900 1.0499 H 1 UNL1111111111 0.3400 46 H 5.3304 2.6599 1.2371 H 1 UNL1111111111 0.1400 47 H 4.0093 1.8373 2.0775 H 1 UNL1111111111 0.1483 48 H 4.2546 2.2701 -1.6843 H 1 UNL1111111111 0.1437 49 H 4.9583 0.6772 -1.9889 H 1 UNL1111111111 0.1497 50 H 5.9240 1.9382 -1.2099 H 1 UNL1111111111 0.1396 51 H 3.6554 2.9546 0.7543 H 1 UNL1111111111 0.1431 @BOND 1 1 5 1 2 1 9 1 3 2 18 1 4 2 44 1 5 3 20 1 6 3 45 1 7 4 5 1 8 4 6 1 9 4 7 1 10 4 24 1 11 5 8 1 12 5 10 1 13 6 11 1 14 6 15 1 15 6 16 1 16 7 9 1 17 7 25 1 18 7 26 1 19 8 12 1 20 8 27 1 21 8 28 1 22 9 13 1 23 9 29 1 24 10 14 1 25 10 30 1 26 10 31 1 27 11 12 1 28 11 32 1 29 11 33 1 30 12 34 1 31 12 35 1 32 13 14 ar 33 13 17 ar 34 14 18 ar 35 15 39 1 36 15 40 1 37 15 41 1 38 16 36 1 39 16 37 1 40 16 38 1 41 17 19 ar 42 17 42 1 43 18 20 ar 44 19 20 ar 45 19 21 1 46 21 22 1 47 21 23 1 48 21 43 1 49 22 48 1 50 22 49 1 51 22 50 1 52 23 46 1 53 23 47 1 54 23 51 1