@MOLECULE (1s,2s,6z,10s,11s,16z)-6,16-dibutylidene-5,15-dioxapentacyclo[9.5.2.0~1,13~.0~2,10~.0~3,7~]octadeca-3(7),12-diene-4,14-dione 56 60 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.3278 1.0497 1.4768 O.3 1 UNL1111111111 -0.3402 2 O 2.0924 0.8767 -1.2288 O.3 1 UNL1111111111 -0.3537 3 O -0.5367 -0.0520 3.2539 O.2 1 UNL1111111111 -0.4160 4 O 0.1678 1.5494 -2.1694 O.2 1 UNL1111111111 -0.4072 5 C -1.8874 -0.7238 -0.0072 C.3 1 UNL1111111111 0.0259 6 C -0.9915 -1.2610 -1.1658 C.3 1 UNL1111111111 -0.0847 7 C -0.9462 -2.8260 -1.0452 C.3 1 UNL1111111111 -0.1006 8 C -1.7903 -3.2910 0.1811 C.3 1 UNL1111111111 -0.1344 9 C -3.3076 -1.2924 -0.2107 C.3 1 UNL1111111111 -0.2691 10 C -3.2534 -2.8274 -0.0586 C.3 1 UNL1111111111 -0.2729 11 C -1.3498 -1.2621 1.3032 C.2 1 UNL1111111111 -0.2040 12 C 0.4690 -3.4346 -1.0002 C.3 1 UNL1111111111 -0.2754 13 C -1.2941 -2.5903 1.4200 C.2 1 UNL1111111111 -0.0446 14 C 0.3532 -0.6612 -1.0983 C.2 1 UNL1111111111 -0.2070 15 C -1.8515 0.7595 0.2149 C.2 1 UNL1111111111 0.0998 16 C 1.4750 -2.6547 -0.1316 C.3 1 UNL1111111111 -0.2706 17 C 1.4555 -1.2518 -0.5809 C.2 1 UNL1111111111 0.0462 18 C -1.0098 -0.1249 2.1576 C.2 1 UNL1111111111 0.5842 19 C 0.7349 0.6878 -1.5704 C.2 1 UNL1111111111 0.5820 20 C -2.2315 1.7663 -0.5708 C.2 1 UNL1111111111 -0.1760 21 C 2.5560 -0.2837 -0.6029 C.2 1 UNL1111111111 0.1040 22 C -2.1118 3.1984 -0.1777 C.3 1 UNL1111111111 -0.2561 23 C 3.8006 -0.3280 -0.1202 C.2 1 UNL1111111111 -0.1510 24 C -3.4533 3.9205 -0.3785 C.3 1 UNL1111111111 -0.2422 25 C 4.7344 0.8272 -0.2055 C.3 1 UNL1111111111 -0.2660 26 C -3.3494 5.3845 0.0461 C.3 1 UNL1111111111 -0.4417 27 C 5.6432 0.8915 1.0312 C.3 1 UNL1111111111 -0.2438 28 C 6.5879 2.0892 0.9470 C.3 1 UNL1111111111 -0.4409 29 H -1.4738 -0.9874 -2.1377 H 1 UNL1111111111 0.1593 30 H -1.4462 -3.2353 -1.9576 H 1 UNL1111111111 0.1364 31 H -1.7492 -4.3933 0.2784 H 1 UNL1111111111 0.1381 32 H -3.6997 -1.0012 -1.1999 H 1 UNL1111111111 0.1464 33 H -4.0003 -0.8521 0.5300 H 1 UNL1111111111 0.1545 34 H -3.8877 -3.1536 0.7844 H 1 UNL1111111111 0.1431 35 H -3.6621 -3.3223 -0.9549 H 1 UNL1111111111 0.1382 36 H 0.8653 -3.4866 -2.0356 H 1 UNL1111111111 0.1468 37 H 0.4129 -4.4821 -0.6513 H 1 UNL1111111111 0.1396 38 H -0.9544 -3.1553 2.2733 H 1 UNL1111111111 0.1567 39 H 2.4836 -3.1077 -0.2087 H 1 UNL1111111111 0.1558 40 H 1.2000 -2.7230 0.9449 H 1 UNL1111111111 0.1726 41 H -2.6257 1.5780 -1.5687 H 1 UNL1111111111 0.1645 42 H -1.7745 3.3094 0.8744 H 1 UNL1111111111 0.1616 43 H -1.3176 3.6795 -0.7914 H 1 UNL1111111111 0.1622 44 H 4.1796 -1.2271 0.3634 H 1 UNL1111111111 0.1599 45 H -3.7652 3.8540 -1.4372 H 1 UNL1111111111 0.1300 46 H -4.2421 3.4109 0.2067 H 1 UNL1111111111 0.1343 47 H 5.3471 0.7480 -1.1293 H 1 UNL1111111111 0.1550 48 H 4.1772 1.7851 -0.3151 H 1 UNL1111111111 0.1716 49 H -2.5884 5.9165 -0.5360 H 1 UNL1111111111 0.1441 50 H -4.3002 5.9086 -0.0955 H 1 UNL1111111111 0.1362 51 H -3.0772 5.4750 1.1041 H 1 UNL1111111111 0.1459 52 H 6.2251 -0.0437 1.1278 H 1 UNL1111111111 0.1289 53 H 5.0230 0.9630 1.9468 H 1 UNL1111111111 0.1438 54 H 6.0332 3.0347 0.9195 H 1 UNL1111111111 0.1486 55 H 7.2580 2.1279 1.8128 H 1 UNL1111111111 0.1406 56 H 7.2130 2.0484 0.0487 H 1 UNL1111111111 0.1413 @BOND 1 1 15 1 2 1 18 1 3 2 19 1 4 2 21 1 5 3 18 2 6 4 19 2 7 5 6 1 8 5 9 1 9 5 11 1 10 5 15 1 11 6 7 1 12 6 14 1 13 6 29 1 14 7 8 1 15 7 12 1 16 7 30 1 17 8 10 1 18 8 13 1 19 8 31 1 20 9 10 1 21 9 32 1 22 9 33 1 23 10 34 1 24 10 35 1 25 11 13 2 26 11 18 1 27 12 16 1 28 12 36 1 29 12 37 1 30 13 38 1 31 14 17 2 32 14 19 1 33 15 20 2 34 16 17 1 35 16 39 1 36 16 40 1 37 17 21 1 38 20 22 1 39 20 41 1 40 21 23 2 41 22 24 1 42 22 42 1 43 22 43 1 44 23 25 1 45 23 44 1 46 24 26 1 47 24 45 1 48 24 46 1 49 25 27 1 50 25 47 1 51 25 48 1 52 26 49 1 53 26 50 1 54 26 51 1 55 27 28 1 56 27 52 1 57 27 53 1 58 28 54 1 59 28 55 1 60 28 56 1