@MOLECULE (2e)-4-[12-hydroxy-8,8,21,21-tetramethyl-5-(3-methyl-2-buten-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0~2,15~.0~2,19~.0~4,13~.0~6,11~]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methyl-2-butenoic acid 41 50 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -4.9700 0.7737 0.3595 O.3 1 UNL1 -0.1643 2 O 0.0926 -0.3173 0.0468 O.2 1 UNL1 -0.2725 3 O -4.1087 -1.7580 -0.9141 O.2 1 UNL1 -0.1592 4 O 0.9895 -4.2852 -0.3822 O.2 1 UNL1 -0.3642 5 O 4.3429 1.3193 -0.0566 O.2 1 UNL1 -0.2044 6 O 3.6478 -3.5254 -0.0958 O.2 1 UNL1 -0.4403 7 O -1.4250 4.0362 0.1468 O.3 1 UNL1 -0.1684 8 O -1.4750 1.6199 0.1136 O.2 1 UNL1 -0.0990 9 C -0.8866 -1.2326 0.1569 C.ar 1 UNL1 0.3669 10 C -2.1767 -0.7327 0.1811 C.3 1 UNL1 -0.2864 11 C -3.8845 -2.2261 1.5442 C.3 1 UNL1 0.4647 12 C -0.5715 -2.6483 0.2138 C.ar 1 UNL1 -0.1712 13 C -5.4668 0.2446 -0.8396 C.2 1 UNL1 -0.5505 14 C -3.3244 -1.6557 0.2720 C.3 1 UNL1 -0.0374 15 C -2.5782 -4.5043 0.6127 C.3 1 UNL1 0.5401 16 C -2.9582 -3.0579 0.7967 C.3 1 UNL1 -0.7333 17 C 0.8220 -3.1259 -0.1157 C.ar 1 UNL1 0.5205 18 C -1.5805 -3.4597 0.5317 C.3 1 UNL1 -0.0850 19 C 1.4160 -0.7487 0.0040 C.ar 1 UNL1 0.4312 20 C 1.7950 -2.0613 -0.0649 C.ar 1 UNL1 -0.4584 21 C -2.5281 0.6396 0.1507 C.ar 1 UNL1 0.1527 22 C 2.2838 0.3606 0.0082 C.3 1 UNL1 -0.3613 23 C 3.2294 -2.3934 -0.0975 C.2 1 UNL1 0.5625 24 C -6.5116 0.7838 -1.4695 C.3 1 UNL1 0.5359 25 C -4.9882 -1.0103 -1.3672 C.2 1 UNL1 0.2202 26 C 3.6719 0.0637 -0.0602 C.2 1 UNL1 0.3616 27 C 4.1391 -1.2357 -0.1129 C.2 1 UNL1 -0.3298 28 C -3.7294 1.2897 0.2091 C.ar 1 UNL1 0.0691 29 C 1.8128 1.6624 0.0613 C.1 1 UNL1 0.1890 30 C 5.5292 -1.3443 -0.1771 C.2 1 UNL1 0.0991 31 C -3.4752 2.7398 0.2241 C.ar 1 UNL1 -0.6827 32 C 5.6521 1.4369 -0.1121 C.2 1 UNL1 -0.0694 33 C 6.5768 -0.6970 -0.2077 C.2 1 UNL1 -0.1801 34 C 1.4223 2.8146 0.1025 C.1 1 UNL1 -0.2843 35 C -2.0511 2.8146 0.1576 C.ar 1 UNL1 0.4184 36 C -4.4051 3.6996 0.3284 C.3 1 UNL1 0.6940 37 C 6.9516 2.0668 -0.1530 C.3 1 UNL1 0.1957 38 C 6.8067 0.6591 -0.1835 C.2 1 UNL1 -0.1466 39 C 1.0454 4.1668 0.1405 C.2 1 UNL1 -0.6192 40 C 2.1225 4.9826 0.1664 C.3 1 UNL1 0.6738 41 C -0.2898 4.5551 0.1407 C.2 1 UNL1 0.3724 @BOND 1 24 13 1 2 25 3 1 3 25 13 2 4 3 14 1 5 13 1 1 6 4 17 2 7 33 38 1 8 33 30 2 9 38 37 1 10 38 32 2 11 30 27 1 12 37 32 1 13 17 20 ar 14 17 12 ar 15 27 23 1 16 27 26 2 17 32 5 1 18 23 6 2 19 23 20 1 20 20 19 ar 21 26 5 1 22 26 22 1 23 19 22 1 24 19 2 ar 25 22 29 1 26 2 9 ar 27 29 34 3 28 34 39 1 29 8 21 ar 30 8 35 ar 31 39 41 2 32 39 40 1 33 41 7 1 34 7 35 1 35 21 10 1 36 21 28 ar 37 9 10 1 38 9 12 ar 39 35 31 ar 40 10 14 1 41 28 31 ar 42 28 1 1 43 12 18 1 44 31 36 1 45 14 16 1 46 14 11 1 47 18 15 1 48 18 16 1 49 15 16 1 50 16 11 1