@MOLECULE (1r,2s,5s,8s,9r,17r,18r,21s,24r,26s,27s)-5-hydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1~18,27~.0~1,5~.0~2,24~.0~8,17~.0~9,14~.0~21,26~]nonacosa-11,14-diene-4,10,22,29-tetrone 67 74 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 1.1937 0.7105 -0.0528 C.3 1 UNL1 0.1359 2 C 0.2585 -1.3509 0.4788 C.3 1 UNL1 0.3008 3 C 2.1133 1.3510 -1.1252 C.3 1 UNL1 0.2242 4 C 0.1913 1.8899 0.2369 C.3 1 UNL1 0.1785 5 C 1.9119 0.2378 1.2321 C.3 1 UNL1 -0.3064 6 C 3.2761 -0.4392 0.9678 C.3 1 UNL1 0.1186 7 C 3.2251 -1.7333 0.1144 C.3 1 UNL1 -0.2930 8 C 3.5659 0.8266 -1.1524 C.3 1 UNL1 0.1005 9 C -1.9477 -0.1702 0.5065 C.3 1 UNL1 -0.1283 10 C -3.4882 -0.2953 0.3829 C.3 1 UNL1 -0.0417 11 C -1.2607 -1.5518 0.5239 C.3 1 UNL1 -0.1352 12 C 1.5167 1.3122 -2.5158 C.3 1 UNL1 -0.4737 13 C 3.9184 -0.7627 2.3252 C.3 1 UNL1 -0.4792 14 C -4.1636 -0.6387 1.7192 C.3 1 UNL1 -0.4445 15 H -1.6168 2.1308 -0.5905 H 1 UNL1 0.3765 16 O 0.7754 -1.1668 2.8682 O.2 1 UNL1 -0.4032 17 O 1.1310 4.1728 0.5973 O.2 1 UNL1 -0.4251 18 O 2.8674 -2.3974 -2.1651 O.2 1 UNL1 -0.4368 19 O -3.2934 2.0236 -0.2543 O.2 1 UNL1 -0.4968 20 C -1.6384 -2.3632 -0.7280 C.3 1 UNL1 -0.2806 21 C -5.3468 -1.3231 -1.0635 C.3 1 UNL1 -0.3096 22 O -0.6581 2.0578 -0.8573 O.3 1 UNL1 -0.5535 23 C 1.1723 3.0861 0.1074 C.2 1 UNL1 0.5507 24 C -4.0110 1.0554 -0.1285 C.2 1 UNL1 0.4993 25 O 2.2330 2.7232 -0.6880 O.3 1 UNL1 -0.4224 26 C -3.0739 -2.2687 -1.0912 C.2 1 UNL1 -0.1513 27 C -5.4333 1.0994 -0.4984 C.2 1 UNL1 -0.3231 28 C -6.0405 -0.0070 -0.9401 C.2 1 UNL1 -0.0359 29 C 4.1532 0.5833 0.2274 C.3 1 UNL1 -0.3605 30 C -3.9070 -1.3328 -0.6241 C.2 1 UNL1 -0.0489 31 C 3.1392 -1.5277 -1.3820 C.2 1 UNL1 0.6102 32 O 3.5769 -0.3555 -1.9288 O.3 1 UNL1 -0.4107 33 C 2.1840 -2.7845 0.5264 C.3 1 UNL1 -0.0460 34 C -0.5705 1.8541 1.5451 C.3 1 UNL1 -0.3327 35 C -1.5791 0.6991 1.7282 C.3 1 UNL1 -0.2839 36 C 0.9437 -0.8021 1.7434 C.2 1 UNL1 0.4078 37 O 0.5417 -0.4189 -0.5744 O.3 1 UNL1 -0.3607 38 O 0.8510 -2.5611 0.1066 O.3 1 UNL1 -0.3636 39 H -1.5352 -2.1165 1.4433 H 1 UNL1 0.1582 40 H 4.2061 1.5101 -1.7652 H 1 UNL1 0.1708 41 H 2.0599 1.0704 1.9545 H 1 UNL1 0.1882 42 H -1.6045 0.3123 -0.4534 H 1 UNL1 0.2029 43 H 4.2342 -2.2310 0.2591 H 1 UNL1 0.1838 44 H 4.2166 1.5379 0.7884 H 1 UNL1 0.1768 45 H 5.1960 0.2214 0.1437 H 1 UNL1 0.1632 46 H 2.3852 -3.7489 0.0021 H 1 UNL1 0.1718 47 H 2.1923 -2.9611 1.6181 H 1 UNL1 0.1363 48 H 0.1237 1.8716 2.4084 H 1 UNL1 0.1556 49 H -1.1278 2.8209 1.6280 H 1 UNL1 0.1807 50 H -3.4066 -3.0210 -1.8078 H 1 UNL1 0.1491 51 H -2.5038 1.1732 2.1275 H 1 UNL1 0.1527 52 H -1.2480 0.0432 2.5569 H 1 UNL1 0.1504 53 H -1.0276 -2.0129 -1.5998 H 1 UNL1 0.1890 54 H -1.3349 -3.4233 -0.5853 H 1 UNL1 0.1646 55 H -5.9190 2.0700 -0.4279 H 1 UNL1 0.1831 56 H -7.0879 -0.0054 -1.2481 H 1 UNL1 0.1482 57 H 0.5538 1.8451 -2.5720 H 1 UNL1 0.1943 58 H 2.1809 1.7697 -3.2587 H 1 UNL1 0.1613 59 H 1.3237 0.2741 -2.8337 H 1 UNL1 0.1844 60 H 3.2942 -1.4364 2.9269 H 1 UNL1 0.1643 61 H 4.9003 -1.2348 2.2151 H 1 UNL1 0.1507 62 H 4.0674 0.1434 2.9261 H 1 UNL1 0.1598 63 H -5.9065 -2.0917 -0.4782 H 1 UNL1 0.1686 64 H -5.4204 -1.6678 -2.1231 H 1 UNL1 0.1712 65 H -4.0794 0.1685 2.4554 H 1 UNL1 0.1511 66 H -5.2332 -0.8439 1.5933 H 1 UNL1 0.1522 67 H -3.7081 -1.5361 2.1576 H 1 UNL1 0.1610 @BOND 1 58 12 1 2 59 12 1 3 57 12 1 4 12 3 1 5 18 31 2 6 64 21 1 7 32 31 1 8 32 8 1 9 50 26 1 10 40 8 1 11 53 20 1 12 31 7 1 13 56 28 1 14 8 3 1 15 8 29 1 16 3 25 1 17 3 1 1 18 26 20 1 19 26 30 2 20 21 28 1 21 21 30 1 22 21 63 1 23 28 27 2 24 22 15 1 25 22 4 1 26 20 54 1 27 20 11 1 28 25 23 1 29 30 10 1 30 37 1 1 31 37 2 1 32 27 55 1 33 27 24 1 34 42 9 1 35 19 24 2 36 24 10 1 37 1 4 1 38 1 5 1 39 46 33 1 40 38 2 1 41 38 33 1 42 23 4 1 43 23 17 2 44 7 43 1 45 7 33 1 46 7 6 1 47 45 29 1 48 29 44 1 49 29 6 1 50 4 34 1 51 10 9 1 52 10 14 1 53 2 11 1 54 2 36 1 55 9 11 1 56 9 35 1 57 11 39 1 58 33 47 1 59 6 5 1 60 6 13 1 61 5 36 1 62 5 41 1 63 34 49 1 64 34 35 1 65 34 48 1 66 66 14 1 67 14 67 1 68 14 65 1 69 35 51 1 70 35 52 1 71 36 16 2 72 61 13 1 73 13 62 1 74 13 60 1