@MOLECULE methyl (2r,4s,6r,12s)-12-isopropenyl-4-methyl-8-oxo-3,7,17-trioxatetracyclo[12.2.1.1~6,9~.0~2,4~]octadeca-1(16),9(18),14-triene-15-carboxylate 51 54 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.0628 2.3529 1.2735 O.3 1 UNL1111111111 -0.3233 2 O 0.1168 0.5737 1.6996 O.2 1 UNL1111111111 -0.2040 3 O -2.9033 -1.3104 -1.8957 O.3 1 UNL1111111111 -0.4097 4 O -1.5318 -2.2472 -3.3950 O.2 1 UNL1111111111 -0.4195 5 O 1.8265 3.4970 -1.3150 O.3 1 UNL1111111111 -0.3838 6 O 3.3745 1.9610 -0.7580 O.2 1 UNL1111111111 -0.5283 7 C -3.2369 0.9465 1.0638 C.3 1 UNL1111111111 0.1955 8 C -2.0810 1.4952 1.8622 C.3 1 UNL1111111111 -0.0316 9 C -3.0487 0.5085 -0.3657 C.3 1 UNL1111111111 -0.3391 10 C -4.3979 0.3457 1.8035 C.3 1 UNL1111111111 -0.4761 11 C -2.8728 -1.0025 -0.4854 C.3 1 UNL1111111111 0.1090 12 C -0.7492 1.5894 1.2805 C.ar 1 UNL1111111111 0.0501 13 C -1.5290 -1.5052 -0.0080 C.2 1 UNL1111111111 -0.1792 14 C -0.1221 2.4146 0.3929 C.ar 1 UNL1111111111 -0.1409 15 C 1.3000 0.7686 1.0277 C.ar 1 UNL1111111111 0.2457 16 C 1.8063 -1.6396 0.8073 C.3 1 UNL1111111111 -0.1093 17 C -0.8542 -2.0335 -1.0394 C.2 1 UNL1111111111 -0.1066 18 C 2.3261 -0.2553 1.2613 C.3 1 UNL1111111111 -0.3169 19 C 1.5970 -1.6733 -0.7198 C.3 1 UNL1111111111 -0.2650 20 C 0.4840 -2.6535 -1.1244 C.3 1 UNL1111111111 -0.2686 21 C 1.2100 1.8853 0.2244 C.ar 1 UNL1111111111 -0.2863 22 C -1.7097 -1.9149 -2.2617 C.2 1 UNL1111111111 0.5712 23 C 2.7794 -2.7085 1.2398 C.2 1 UNL1111111111 0.0508 24 C 2.2568 2.4044 -0.6304 C.2 1 UNL1111111111 0.6345 25 C 2.2065 -3.7612 2.1300 C.3 1 UNL1111111111 -0.4638 26 C 4.0595 -2.7164 0.8624 C.2 1 UNL1111111111 -0.3697 27 C 2.7797 4.0803 -2.1989 C.3 1 UNL1111111111 -0.1723 28 H -2.1109 1.4550 2.9597 H 1 UNL1111111111 0.1716 29 H -2.1853 1.0338 -0.8340 H 1 UNL1111111111 0.1868 30 H -3.9222 0.8295 -0.9789 H 1 UNL1111111111 0.1854 31 H -4.1469 -0.6362 2.2244 H 1 UNL1111111111 0.1597 32 H -4.7210 0.9877 2.6376 H 1 UNL1111111111 0.1707 33 H -5.2758 0.2192 1.1539 H 1 UNL1111111111 0.1677 34 H -3.7243 -1.5712 -0.0512 H 1 UNL1111111111 0.1557 35 H -1.2373 -1.4022 1.0205 H 1 UNL1111111111 0.1758 36 H -0.5072 3.2873 -0.1016 H 1 UNL1111111111 0.1937 37 H 0.8187 -1.8106 1.3069 H 1 UNL1111111111 0.1493 38 H 3.2637 0.0079 0.7110 H 1 UNL1111111111 0.2030 39 H 2.6184 -0.2953 2.3338 H 1 UNL1111111111 0.1761 40 H 2.5427 -1.9499 -1.2265 H 1 UNL1111111111 0.1568 41 H 1.3563 -0.6611 -1.1024 H 1 UNL1111111111 0.1571 42 H 0.5329 -3.5689 -0.4959 H 1 UNL1111111111 0.1588 43 H 0.6764 -3.0141 -2.1629 H 1 UNL1111111111 0.1720 44 H 1.8090 -3.3278 3.0587 H 1 UNL1111111111 0.1554 45 H 1.3822 -4.2971 1.6382 H 1 UNL1111111111 0.1558 46 H 2.9486 -4.5165 2.4221 H 1 UNL1111111111 0.1557 47 H 4.7673 -3.4705 1.1629 H 1 UNL1111111111 0.1476 48 H 4.5016 -1.9701 0.2206 H 1 UNL1111111111 0.1558 49 H 3.0737 3.3586 -2.9685 H 1 UNL1111111111 0.1415 50 H 3.6577 4.4203 -1.6400 H 1 UNL1111111111 0.1394 51 H 2.2274 4.9235 -2.6295 H 1 UNL1111111111 0.1462 @BOND 1 1 7 1 2 1 8 1 3 2 12 ar 4 2 15 ar 5 3 11 1 6 3 22 1 7 4 22 2 8 5 24 1 9 5 27 1 10 6 24 2 11 7 8 1 12 7 9 1 13 7 10 1 14 8 12 1 15 8 28 1 16 9 11 1 17 9 29 1 18 9 30 1 19 10 31 1 20 10 32 1 21 10 33 1 22 11 13 1 23 11 34 1 24 12 14 ar 25 13 17 2 26 13 35 1 27 14 21 ar 28 14 36 1 29 15 18 1 30 15 21 ar 31 16 18 1 32 16 19 1 33 16 23 1 34 16 37 1 35 17 20 1 36 17 22 1 37 18 38 1 38 18 39 1 39 19 20 1 40 19 40 1 41 19 41 1 42 20 42 1 43 20 43 1 44 21 24 1 45 23 25 1 46 23 26 2 47 25 44 1 48 25 45 1 49 25 46 1 50 26 47 1 51 26 48 1 52 27 49 1 53 27 50 1 54 27 51 1