@MOLECULE (1s,3r,6s,8s)-1,6,9-trihydroxy-3-(2-hydroxy-2-propanyl)-10-isobutyryl-5,5-dimethyl-8-(3-methyl-2-buten-1-yl)-4-oxabicyclo[6.3.1]dodec-9-ene-11,12-dione 71 72 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 0.3583 -0.9748 -1.0363 C.3 1 UNL1 -0.1235 2 C -0.1407 1.0388 0.4387 C.3 1 UNL1 0.0999 3 C -2.6573 1.3005 0.6922 C.3 1 UNL1 0.0829 4 C -1.9291 -0.8175 -2.1849 C.3 1 UNL1 0.1251 5 C 0.5064 -2.5150 -0.9752 C.3 1 UNL1 -0.2586 6 C -2.6029 1.6824 -2.2342 C.3 1 UNL1 -0.5084 7 C -4.3101 -0.0730 -1.7683 C.3 1 UNL1 -0.5114 8 C -3.9177 1.8937 2.8127 C.3 1 UNL1 -0.4890 9 C -4.7302 -0.0535 1.4280 C.3 1 UNL1 -0.4950 10 C 5.5584 2.3532 0.4619 C.3 1 UNL1 -0.4369 11 C 3.6824 2.9186 -1.1249 C.3 1 UNL1 -0.4381 12 C 0.3485 -3.5356 1.9160 C.3 1 UNL1 -0.4634 13 C 2.8565 -3.6418 1.9009 C.3 1 UNL1 -0.4731 14 H 0.2339 2.6145 -0.7041 H 1 UNL1 0.3255 15 H 2.2387 -1.3889 -2.5755 H 1 UNL1 0.3397 16 H -3.2030 -1.3698 -3.6152 H 1 UNL1 0.3200 17 H -2.1095 -0.6437 2.1163 H 1 UNL1 0.3566 18 O -0.8992 -1.1845 0.9991 O.2 1 UNL1 -0.4361 19 O 1.6153 1.5839 2.0141 O.2 1 UNL1 -0.4180 20 O 4.4861 -0.1233 0.0816 O.2 1 UNL1 -0.4465 21 O -0.0227 1.6733 -0.8256 O.3 1 UNL1 -0.5496 22 O 2.5937 -0.6822 -1.9699 O.2 1 UNL1 -0.4175 23 O -2.2961 -1.0174 -3.5391 O.3 1 UNL1 -0.5680 24 O -2.7144 -0.1098 2.6784 O.3 1 UNL1 -0.5949 25 C 3.6691 0.7615 0.0894 C.2 1 UNL1 0.5258 26 C 1.6042 -3.3402 1.1415 C.2 1 UNL1 0.1323 27 C 4.0610 2.2276 0.1873 C.3 1 UNL1 -0.1688 28 C 1.6698 -2.9093 -0.1268 C.2 1 UNL1 -0.3064 29 C -3.5093 0.7420 1.8868 C.3 1 UNL1 0.3253 30 C -0.4199 -0.5354 -2.2850 C.3 1 UNL1 -0.2992 31 C -1.2481 1.6923 1.2257 C.3 1 UNL1 -0.3508 32 C -0.3676 -0.4584 0.2019 C.2 1 UNL1 0.4937 33 C 1.7493 -0.3617 -0.9832 C.2 1 UNL1 0.4476 34 C 1.3232 1.0670 0.9713 C.2 1 UNL1 0.4608 35 C 2.2203 0.4644 -0.0056 C.2 1 UNL1 -0.4820 36 C -2.8362 0.3267 -1.5931 C.3 1 UNL1 0.2903 37 O -2.5184 0.2230 -0.2132 O.3 1 UNL1 -0.4708 38 H -0.2513 0.5385 -2.5130 H 1 UNL1 0.1892 39 H -0.0357 -1.0639 -3.1855 H 1 UNL1 0.1653 40 H -1.1437 1.4107 2.3039 H 1 UNL1 0.2069 41 H -1.1410 2.7926 1.2155 H 1 UNL1 0.1535 42 H -0.4405 -2.9551 -0.5884 H 1 UNL1 0.1727 43 H 0.6126 -2.9360 -1.9947 H 1 UNL1 0.1421 44 H -3.1639 2.1578 0.2170 H 1 UNL1 0.1238 45 H -2.1204 -1.7556 -1.6144 H 1 UNL1 0.1329 46 H 3.4973 2.6923 1.0370 H 1 UNL1 0.1682 47 H 2.6408 -2.8105 -0.6141 H 1 UNL1 0.1582 48 H -1.6963 2.1716 -1.8602 H 1 UNL1 0.1800 49 H -2.4822 1.5725 -3.3225 H 1 UNL1 0.1711 50 H -3.4359 2.3728 -2.0673 H 1 UNL1 0.1470 51 H -4.6121 -0.0397 -2.8205 H 1 UNL1 0.1527 52 H -4.5066 -1.0765 -1.3754 H 1 UNL1 0.1574 53 H -4.9653 0.6181 -1.2243 H 1 UNL1 0.1612 54 H -3.0485 2.4677 3.1521 H 1 UNL1 0.1567 55 H -4.6246 2.5725 2.3319 H 1 UNL1 0.1431 56 H -4.3921 1.4920 3.7194 H 1 UNL1 0.1688 57 H -5.2562 -0.4695 2.2979 H 1 UNL1 0.1612 58 H -5.4357 0.5570 0.8630 H 1 UNL1 0.1394 59 H -4.4230 -0.9080 0.8112 H 1 UNL1 0.1652 60 H 6.1508 1.8608 -0.3203 H 1 UNL1 0.1567 61 H 5.8717 3.3995 0.5177 H 1 UNL1 0.1394 62 H 5.8271 1.8664 1.4087 H 1 UNL1 0.1549 63 H 2.6176 2.7990 -1.3539 H 1 UNL1 0.1423 64 H 3.9002 3.9909 -1.0828 H 1 UNL1 0.1441 65 H 4.2470 2.5047 -1.9702 H 1 UNL1 0.1530 66 H -0.5414 -3.6443 1.2802 H 1 UNL1 0.1611 67 H 0.3939 -4.4173 2.5674 H 1 UNL1 0.1499 68 H 0.1534 -2.6631 2.5644 H 1 UNL1 0.1783 69 H 3.7632 -3.2994 1.3804 H 1 UNL1 0.1649 70 H 2.8550 -3.1456 2.8827 H 1 UNL1 0.1645 71 H 2.9682 -4.7198 2.0761 H 1 UNL1 0.1547 @BOND 1 16 23 1 2 23 4 1 3 49 6 1 4 39 30 1 5 51 7 1 6 15 22 1 7 38 30 1 8 30 4 1 9 30 1 1 10 6 50 1 11 6 48 1 12 6 36 1 13 4 45 1 14 4 36 1 15 43 5 1 16 65 11 1 17 22 33 1 18 7 36 1 19 7 52 1 20 7 53 1 21 36 37 1 22 63 11 1 23 11 64 1 24 11 27 1 25 1 33 1 26 1 5 1 27 1 32 1 28 33 35 2 29 5 42 1 30 5 28 1 31 21 14 1 32 21 2 1 33 47 28 1 34 60 10 1 35 37 3 1 36 28 26 2 37 35 25 1 38 35 34 1 39 20 25 2 40 25 27 1 41 27 10 1 42 27 46 1 43 32 2 1 44 32 18 2 45 44 3 1 46 2 34 1 47 2 31 1 48 10 61 1 49 10 62 1 50 3 31 1 51 3 29 1 52 59 9 1 53 58 9 1 54 34 19 2 55 26 13 1 56 26 12 1 57 41 31 1 58 31 40 1 59 66 12 1 60 69 13 1 61 9 29 1 62 9 57 1 63 29 24 1 64 29 8 1 65 13 71 1 66 13 70 1 67 12 68 1 68 12 67 1 69 17 24 1 70 55 8 1 71 8 54 1 72 8 56 1