@MOLECULE (1s,3s,6s,10r,12r,13r,16r,19r)-3,10,12,16-tetramethyl-14-methylene-15,17-dioxo-18,20-dioxatetracyclo[11.5.2.0~1,6~.0~16,19~]icos-4-ene-4-carboxylic acid 62 65 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.4565 1.5071 0.9224 O.3 1 UNL1111111111 -0.4082 2 O 1.5373 -0.1611 0.2360 O.3 1 UNL1111111111 -0.3865 3 O -1.0797 3.6984 0.9560 O.2 1 UNL1111111111 -0.3920 4 O 1.0802 3.3113 -1.2496 O.2 1 UNL1111111111 -0.4006 5 O -5.0911 0.2518 -1.4435 O.3 1 UNL1111111111 -0.5474 6 O -5.5493 -1.2352 0.1442 O.2 1 UNL1111111111 -0.5221 7 C -0.7390 0.2891 0.6338 C.3 1 UNL1111111111 0.2386 8 C 0.7222 0.6299 1.0540 C.3 1 UNL1111111111 0.0277 9 C 0.8359 2.1505 0.8160 C.3 1 UNL1111111111 -0.2153 10 C -1.4120 -0.8140 1.4670 C.3 1 UNL1111111111 -0.1479 11 C -0.8950 0.0379 -0.8645 C.3 1 UNL1111111111 -0.3280 12 C -2.3842 -0.0270 -1.2650 C.3 1 UNL1111111111 -0.0449 13 C -0.8522 -2.2286 1.1910 C.3 1 UNL1111111111 -0.2650 14 C 2.8302 0.3786 -0.0147 C.3 1 UNL1111111111 0.0954 15 C -0.6254 2.5991 0.8774 C.2 1 UNL1111111111 0.5860 16 C -2.8609 -0.8447 1.0762 C.2 1 UNL1111111111 -0.0759 17 C 1.4787 2.4269 -0.5373 C.2 1 UNL1111111111 0.4612 18 C 3.6076 -0.8349 -0.5784 C.3 1 UNL1111111111 -0.1017 19 C 1.6200 2.8886 1.8893 C.3 1 UNL1111111111 -0.4330 20 C -3.2719 -0.5117 -0.1561 C.2 1 UNL1111111111 -0.1274 21 C 2.6187 1.5521 -0.9285 C.2 1 UNL1111111111 -0.1782 22 C 0.4952 -2.5382 1.8553 C.3 1 UNL1111111111 -0.2725 23 C 3.2949 -2.0883 0.2691 C.3 1 UNL1111111111 -0.2864 24 C 2.0174 -2.8247 -0.1879 C.3 1 UNL1111111111 -0.0751 25 C 1.3257 -3.5171 1.0064 C.3 1 UNL1111111111 -0.2870 26 C -2.5291 -0.9219 -2.5026 C.3 1 UNL1111111111 -0.4507 27 C 5.1105 -0.5439 -0.5177 C.3 1 UNL1111111111 -0.4620 28 C -4.7190 -0.5722 -0.4279 C.2 1 UNL1111111111 0.6384 29 C 2.3653 -3.8627 -1.2633 C.3 1 UNL1111111111 -0.4614 30 C 3.3105 1.8310 -2.0335 C.2 1 UNL1111111111 -0.2052 31 H 0.9346 0.3643 2.1109 H 1 UNL1111111111 0.1442 32 H -1.3081 -0.5736 2.5519 H 1 UNL1111111111 0.1585 33 H -0.3645 -0.8954 -1.1422 H 1 UNL1111111111 0.1677 34 H -0.3916 0.8320 -1.4492 H 1 UNL1111111111 0.1570 35 H -2.7195 1.0171 -1.5258 H 1 UNL1111111111 0.1738 36 H -0.7786 -2.3827 0.0952 H 1 UNL1111111111 0.1564 37 H -1.5977 -2.9784 1.5303 H 1 UNL1111111111 0.1456 38 H 3.2929 0.7099 0.9456 H 1 UNL1111111111 0.1321 39 H -3.5564 -1.1672 1.8535 H 1 UNL1111111111 0.1656 40 H 3.2965 -1.0153 -1.6327 H 1 UNL1111111111 0.1506 41 H 2.6815 2.6156 1.8934 H 1 UNL1111111111 0.1527 42 H 1.5615 3.9805 1.7360 H 1 UNL1111111111 0.1801 43 H 1.2228 2.6938 2.8949 H 1 UNL1111111111 0.1626 44 H 1.0814 -1.6200 2.0287 H 1 UNL1111111111 0.1472 45 H 0.3255 -2.9707 2.8595 H 1 UNL1111111111 0.1308 46 H 3.1989 -1.7967 1.3321 H 1 UNL1111111111 0.1425 47 H 4.1518 -2.7869 0.2352 H 1 UNL1111111111 0.1373 48 H 1.3023 -2.0904 -0.6334 H 1 UNL1111111111 0.1531 49 H 2.0844 -4.0113 1.6401 H 1 UNL1111111111 0.1333 50 H 0.6745 -4.3327 0.6397 H 1 UNL1111111111 0.1405 51 H -2.3152 -1.9703 -2.2712 H 1 UNL1111111111 0.1434 52 H -1.8472 -0.6064 -3.3002 H 1 UNL1111111111 0.1477 53 H -3.5461 -0.8723 -2.9125 H 1 UNL1111111111 0.1584 54 H 5.4730 -0.5007 0.5160 H 1 UNL1111111111 0.1478 55 H 5.3704 0.4075 -0.9931 H 1 UNL1111111111 0.1471 56 H 5.6816 -1.3290 -1.0283 H 1 UNL1111111111 0.1514 57 H 2.9957 -4.6632 -0.8633 H 1 UNL1111111111 0.1422 58 H 2.9064 -3.4005 -2.0959 H 1 UNL1111111111 0.1424 59 H 1.4628 -4.3263 -1.6758 H 1 UNL1111111111 0.1443 60 H 4.1289 1.2339 -2.4094 H 1 UNL1111111111 0.1502 61 H 3.0944 2.6960 -2.6556 H 1 UNL1111111111 0.1695 62 H -6.0673 0.2512 -1.6040 H 1 UNL1111111111 0.3511 @BOND 1 1 7 1 2 1 15 1 3 2 8 1 4 2 14 1 5 3 15 2 6 4 17 2 7 5 28 1 8 5 62 1 9 6 28 2 10 7 8 1 11 7 10 1 12 7 11 1 13 8 9 1 14 8 31 1 15 9 15 1 16 9 17 1 17 9 19 1 18 10 13 1 19 10 16 1 20 10 32 1 21 11 12 1 22 11 33 1 23 11 34 1 24 12 20 1 25 12 26 1 26 12 35 1 27 13 22 1 28 13 36 1 29 13 37 1 30 14 18 1 31 14 21 1 32 14 38 1 33 16 20 2 34 16 39 1 35 17 21 1 36 18 23 1 37 18 27 1 38 18 40 1 39 19 41 1 40 19 42 1 41 19 43 1 42 20 28 1 43 21 30 2 44 22 25 1 45 22 44 1 46 22 45 1 47 23 24 1 48 23 46 1 49 23 47 1 50 24 25 1 51 24 29 1 52 24 48 1 53 25 49 1 54 25 50 1 55 26 51 1 56 26 52 1 57 26 53 1 58 27 54 1 59 27 55 1 60 27 56 1 61 29 57 1 62 29 58 1 63 29 59 1 64 30 60 1 65 30 61 1