@MOLECULE (1r,5r,6r,7r)-3-allyl-7-(4-hydroxy-3-methoxyphenyl)-5-methoxy-6-methylbicyclo[3.2.1]oct-3-ene-2,8-dione 47 49 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.4144 2.5571 -1.2762 O.3 1 UNL1111111111 -0.3501 2 O -0.5007 2.2947 1.5465 O.2 1 UNL1111111111 -0.3859 3 O -2.1959 -1.5027 2.2587 O.2 1 UNL1111111111 -0.4124 4 O 4.2657 1.2029 0.4376 O.3 1 UNL1111111111 -0.2951 5 O 5.4988 -1.3000 -0.2399 O.3 1 UNL1111111111 -0.4779 6 C -0.5669 0.3548 -1.3089 C.3 1 UNL1111111111 -0.0987 7 C -0.1132 -0.6689 -0.2168 C.3 1 UNL1111111111 -0.1097 8 C -1.4663 1.3745 -0.5400 C.3 1 UNL1111111111 0.1084 9 C -0.6225 -0.1062 1.1390 C.3 1 UNL1111111111 -0.3439 10 C -0.8026 1.3758 0.8523 C.2 1 UNL1111111111 0.4284 11 C -2.8579 0.8463 -0.3362 C.2 1 UNL1111111111 -0.1466 12 C -2.0098 -0.6700 1.4112 C.2 1 UNL1111111111 0.4569 13 C -1.2864 -0.3152 -2.4666 C.3 1 UNL1111111111 -0.4547 14 C 1.3769 -0.8369 -0.2163 C.ar 1 UNL1111111111 -0.0091 15 C -3.1032 -0.1257 0.5553 C.2 1 UNL1111111111 -0.1320 16 C -4.4492 -0.7436 0.7401 C.3 1 UNL1111111111 -0.2829 17 C 2.2105 0.2334 0.1123 C.ar 1 UNL1111111111 -0.2234 18 C 1.9264 -2.0736 -0.5531 C.ar 1 UNL1111111111 -0.1616 19 C -1.9550 3.6972 -0.6239 C.3 1 UNL1111111111 -0.2075 20 C 3.5985 0.0719 0.1027 C.ar 1 UNL1111111111 0.1797 21 C 3.3096 -2.2483 -0.5667 C.ar 1 UNL1111111111 -0.2332 22 C -4.4913 -2.0506 0.0042 C.2 1 UNL1111111111 -0.0956 23 C 4.1400 -1.1811 -0.2411 C.ar 1 UNL1111111111 0.1471 24 C -5.3090 -2.2841 -1.0205 C.2 1 UNL1111111111 -0.3423 25 C 5.6853 1.1424 0.5020 C.3 1 UNL1111111111 -0.1927 26 H 0.3175 0.9140 -1.7060 H 1 UNL1111111111 0.1742 27 H -0.6014 -1.6553 -0.4103 H 1 UNL1111111111 0.1631 28 H 0.0724 -0.3201 1.9776 H 1 UNL1111111111 0.2070 29 H -3.6235 1.2799 -0.9758 H 1 UNL1111111111 0.1719 30 H -2.1492 -0.9092 -2.1412 H 1 UNL1111111111 0.1524 31 H -1.6593 0.4327 -3.1801 H 1 UNL1111111111 0.1593 32 H -0.6137 -0.9843 -3.0180 H 1 UNL1111111111 0.1546 33 H -5.2579 -0.0603 0.4082 H 1 UNL1111111111 0.1539 34 H -4.6486 -0.9256 1.8246 H 1 UNL1111111111 0.1792 35 H 1.7991 1.2073 0.3830 H 1 UNL1111111111 0.1830 36 H 1.2807 -2.9122 -0.8060 H 1 UNL1111111111 0.1570 37 H -1.3034 4.0068 0.2029 H 1 UNL1111111111 0.1537 38 H -2.9745 3.5227 -0.2730 H 1 UNL1111111111 0.1232 39 H -1.9447 4.4511 -1.4209 H 1 UNL1111111111 0.1454 40 H 3.7339 -3.2133 -0.8292 H 1 UNL1111111111 0.1563 41 H -3.7948 -2.8013 0.3809 H 1 UNL1111111111 0.1521 42 H -5.3446 -3.2242 -1.5486 H 1 UNL1111111111 0.1456 43 H -6.0084 -1.5638 -1.4131 H 1 UNL1111111111 0.1449 44 H 5.7810 -2.2138 -0.4874 H 1 UNL1111111111 0.3260 45 H 6.0135 0.4128 1.2495 H 1 UNL1111111111 0.1430 46 H 6.1100 0.9165 -0.4816 H 1 UNL1111111111 0.1424 47 H 5.9419 2.1634 0.8137 H 1 UNL1111111111 0.1465 @BOND 1 1 8 1 2 1 19 1 3 2 10 2 4 3 12 2 5 4 20 1 6 4 25 1 7 5 23 1 8 5 44 1 9 6 7 1 10 6 8 1 11 6 13 1 12 6 26 1 13 7 9 1 14 7 14 1 15 7 27 1 16 8 10 1 17 8 11 1 18 9 10 1 19 9 12 1 20 9 28 1 21 11 15 2 22 11 29 1 23 12 15 1 24 13 30 1 25 13 31 1 26 13 32 1 27 14 17 ar 28 14 18 ar 29 15 16 1 30 16 22 1 31 16 33 1 32 16 34 1 33 17 20 ar 34 17 35 1 35 18 21 ar 36 18 36 1 37 19 37 1 38 19 38 1 39 19 39 1 40 20 23 ar 41 21 23 ar 42 21 40 1 43 22 24 2 44 22 41 1 45 24 42 1 46 24 43 1 47 25 45 1 48 25 46 1 49 25 47 1