@MOLECULE (3r,5as,6r,8as,9r,10r,12r,12ar)-10-methoxy-3,6,9-trimethyldecahydro-3,12-epoxy[1,2]dioxepino[4,3-i]isochromene 47 50 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.3292 0.5621 -1.5533 O.3 1 UNL1111111111 -0.1524 2 O 0.4129 1.7187 1.0422 O.3 1 UNL1111111111 -0.4355 3 O -1.5004 0.6167 0.7643 O.3 1 UNL1111111111 -0.5002 4 O -0.0668 1.8859 -1.2067 O.3 1 UNL1111111111 -0.1534 5 O -3.5694 -0.1194 0.2173 O.3 1 UNL1111111111 -0.3977 6 C 0.4847 -0.2508 -0.3897 C.3 1 UNL1111111111 0.0493 7 C 2.0103 -0.4779 -0.2558 C.3 1 UNL1111111111 -0.1533 8 C -0.2860 -1.5396 -0.7423 C.3 1 UNL1111111111 -0.1446 9 C 2.3210 -1.6527 0.6983 C.3 1 UNL1111111111 -0.0872 10 C -0.1033 0.4329 0.8670 C.3 1 UNL1111111111 0.3302 11 C 0.0412 -2.6483 0.2639 C.3 1 UNL1111111111 -0.2777 12 C -1.7850 -1.2061 -0.8308 C.3 1 UNL1111111111 -0.1693 13 C 2.7306 0.7965 0.2256 C.3 1 UNL1111111111 -0.2674 14 C 1.5486 -2.9121 0.2710 C.3 1 UNL1111111111 -0.2847 15 C 0.7723 2.3658 -0.1795 C.3 1 UNL1111111111 0.3872 16 C 2.2527 2.0742 -0.4715 C.3 1 UNL1111111111 -0.3381 17 C -2.2552 -0.5493 0.4772 C.3 1 UNL1111111111 0.3256 18 C 3.8219 -1.9675 0.7076 C.3 1 UNL1111111111 -0.4558 19 C -2.6439 -2.4263 -1.1459 C.3 1 UNL1111111111 -0.4385 20 C 0.4019 3.8306 -0.0117 C.3 1 UNL1111111111 -0.4806 21 C -4.0645 0.8214 1.1559 C.3 1 UNL1111111111 -0.1795 22 H 2.3902 -0.7338 -1.2761 H 1 UNL1111111111 0.1523 23 H 0.0488 -1.8763 -1.7577 H 1 UNL1111111111 0.1576 24 H 2.0075 -1.3725 1.7325 H 1 UNL1111111111 0.1350 25 H 0.1203 -0.0871 1.8225 H 1 UNL1111111111 0.1322 26 H -0.5014 -3.5746 -0.0073 H 1 UNL1111111111 0.1470 27 H -0.3084 -2.3830 1.2776 H 1 UNL1111111111 0.1380 28 H -1.9217 -0.4442 -1.6485 H 1 UNL1111111111 0.1842 29 H 3.8193 0.6818 0.0577 H 1 UNL1111111111 0.1375 30 H 2.6075 0.9105 1.3226 H 1 UNL1111111111 0.1542 31 H 1.7827 -3.7476 0.9562 H 1 UNL1111111111 0.1369 32 H 1.8837 -3.2428 -0.7298 H 1 UNL1111111111 0.1415 33 H 2.8767 2.9264 -0.1441 H 1 UNL1111111111 0.1499 34 H 2.3939 1.9899 -1.5681 H 1 UNL1111111111 0.1656 35 H -2.2433 -1.2030 1.3724 H 1 UNL1111111111 0.1017 36 H 4.0362 -2.8594 1.3067 H 1 UNL1111111111 0.1427 37 H 4.2022 -2.1514 -0.3030 H 1 UNL1111111111 0.1454 38 H 4.4067 -1.1456 1.1368 H 1 UNL1111111111 0.1453 39 H -3.6899 -2.1268 -1.3097 H 1 UNL1111111111 0.1613 40 H -2.3016 -2.9326 -2.0550 H 1 UNL1111111111 0.1453 41 H -2.6452 -3.1574 -0.3311 H 1 UNL1111111111 0.1406 42 H 0.7687 4.4391 -0.8446 H 1 UNL1111111111 0.1607 43 H -0.6920 3.9487 0.0427 H 1 UNL1111111111 0.1782 44 H 0.8109 4.2263 0.9272 H 1 UNL1111111111 0.1705 45 H -3.5253 1.7719 1.0601 H 1 UNL1111111111 0.1453 46 H -3.9905 0.4385 2.1767 H 1 UNL1111111111 0.1179 47 H -5.1111 0.9392 0.8526 H 1 UNL1111111111 0.1366 @BOND 1 1 4 1 2 1 6 1 3 2 10 1 4 2 15 1 5 3 10 1 6 3 17 1 7 4 15 1 8 5 17 1 9 5 21 1 10 6 7 1 11 6 8 1 12 6 10 1 13 7 9 1 14 7 13 1 15 7 22 1 16 8 11 1 17 8 12 1 18 8 23 1 19 9 14 1 20 9 18 1 21 9 24 1 22 10 25 1 23 11 14 1 24 11 26 1 25 11 27 1 26 12 17 1 27 12 19 1 28 12 28 1 29 13 16 1 30 13 29 1 31 13 30 1 32 14 31 1 33 14 32 1 34 15 16 1 35 15 20 1 36 16 33 1 37 16 34 1 38 17 35 1 39 18 36 1 40 18 37 1 41 18 38 1 42 19 39 1 43 19 40 1 44 19 41 1 45 20 42 1 46 20 43 1 47 20 44 1 48 21 45 1 49 21 46 1 50 21 47 1