@MOLECULE 2,5-anhydro-1,6-dideoxy-2-[(3e)-8-(4-methoxy-5-methyl-2-oxo-2h-pyran-6-yl)-2-methyl-1,3,5,7-octatetraen-1-yl]-4-c-methylhexitol 59 60 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 3.8547 0.2814 -0.5367 O.3 1 UNL1 -0.4360 2 O 6.0913 2.6234 -0.0979 O.3 1 UNL1 -0.5731 3 O 7.3342 0.3649 0.1724 O.3 1 UNL1 -0.5329 4 O -4.3636 0.9104 -0.2918 O.2 1 UNL1 -0.3953 5 O -8.2171 -0.3179 0.2745 O.3 1 UNL1 -0.2894 6 O -4.9047 2.8175 -1.1879 O.2 1 UNL1 -0.4404 7 C 5.3482 1.7047 0.6853 C.3 1 UNL1 0.2166 8 C 5.9817 0.2909 0.5103 C.3 1 UNL1 0.0405 9 C 5.1127 -0.3810 -0.5946 C.3 1 UNL1 0.2379 10 C 3.9828 1.6156 -0.0447 C.3 1 UNL1 0.1023 11 C 5.3239 2.1587 2.1322 C.3 1 UNL1 -0.4982 12 C 5.6876 -0.1902 -1.9986 C.3 1 UNL1 -0.4837 13 C 2.7495 1.8434 0.8140 C.3 1 UNL1 -0.4650 14 C 4.8918 -1.8319 -0.3080 C.2 1 UNL1 -0.2500 15 C 3.7112 -2.4649 -0.3340 C.2 1 UNL1 0.0401 16 C 3.6100 -3.9284 -0.0436 C.3 1 UNL1 -0.4510 17 C 2.4510 -1.7924 -0.6500 C.2 1 UNL1 -0.0782 18 C 1.3551 -1.8765 0.1215 C.2 1 UNL1 -0.2180 19 C 0.1300 -1.1769 -0.2161 C.2 1 UNL1 -0.0766 20 C -1.0249 -1.3847 0.4443 C.2 1 UNL1 -0.2233 21 C -2.2412 -0.6782 0.0930 C.2 1 UNL1 -0.0228 22 C -3.4399 -0.9961 0.6172 C.2 1 UNL1 -0.2667 23 C -4.6542 -0.2788 0.2611 C.ar 1 UNL1 0.3423 24 C -5.9410 -0.7041 0.4448 C.ar 1 UNL1 -0.2699 25 C -6.9916 0.1890 0.0395 C.ar 1 UNL1 0.3898 26 C -6.2889 -2.0215 1.0368 C.3 1 UNL1 -0.3970 27 C -6.7226 1.4072 -0.5172 C.ar 1 UNL1 -0.5668 28 C -5.3715 1.8177 -0.7163 C.ar 1 UNL1 0.6339 29 C -9.3352 0.4844 -0.0991 C.3 1 UNL1 -0.2057 30 H 5.9882 -0.2943 1.4524 H 1 UNL1 0.1569 31 H 3.9894 2.2814 -0.9406 H 1 UNL1 0.1511 32 H 4.6823 1.5178 2.7504 H 1 UNL1 0.1660 33 H 6.3276 2.1357 2.5768 H 1 UNL1 0.1583 34 H 4.9449 3.1859 2.2196 H 1 UNL1 0.1654 35 H 5.8367 0.8740 -2.2231 H 1 UNL1 0.1623 36 H 4.9910 -0.5822 -2.7508 H 1 UNL1 0.1633 37 H 6.6419 -0.7144 -2.1185 H 1 UNL1 0.1590 38 H 2.6934 1.1263 1.6423 H 1 UNL1 0.1579 39 H 2.7243 2.8579 1.2248 H 1 UNL1 0.1549 40 H 1.8366 1.6985 0.2180 H 1 UNL1 0.1644 41 H 5.8155 -2.3648 -0.0771 H 1 UNL1 0.1645 42 H 6.8970 2.9153 0.3729 H 1 UNL1 0.3263 43 H 7.4623 0.9348 -0.6230 H 1 UNL1 0.3280 44 H 4.5906 -4.4161 0.0320 H 1 UNL1 0.1548 45 H 3.0835 -4.1071 0.9055 H 1 UNL1 0.1589 46 H 3.0468 -4.4518 -0.8299 H 1 UNL1 0.1598 47 H 2.4652 -1.1906 -1.5666 H 1 UNL1 0.1701 48 H 1.3460 -2.4666 1.0381 H 1 UNL1 0.1532 49 H 0.1904 -0.4635 -1.0443 H 1 UNL1 0.1546 50 H -1.0884 -2.0987 1.2658 H 1 UNL1 0.1557 51 H -2.1431 0.1398 -0.6334 H 1 UNL1 0.1709 52 H -3.5633 -1.8036 1.3388 H 1 UNL1 0.1726 53 H -6.5011 -1.9307 2.1134 H 1 UNL1 0.1551 54 H -7.1905 -2.4512 0.5710 H 1 UNL1 0.1609 55 H -5.4919 -2.7674 0.9139 H 1 UNL1 0.1510 56 H -7.4840 2.1103 -0.8320 H 1 UNL1 0.2006 57 H -9.3493 1.4188 0.4716 H 1 UNL1 0.1438 58 H -9.3377 0.6733 -1.1773 H 1 UNL1 0.1438 59 H -10.1820 -0.1549 0.1834 H 1 UNL1 0.1525 @BOND 1 36 12 1 2 35 12 1 3 37 12 1 4 12 9 1 5 47 17 1 6 6 28 2 7 58 29 1 8 49 19 1 9 31 10 1 10 56 27 1 11 46 16 1 12 28 27 ar 13 28 4 ar 14 17 15 1 15 17 18 2 16 51 21 1 17 43 3 1 18 9 1 1 19 9 14 1 20 9 8 1 21 1 10 1 22 27 25 ar 23 15 14 2 24 15 16 1 25 14 41 1 26 4 23 ar 27 19 18 1 28 19 20 2 29 29 59 1 30 29 5 1 31 29 57 1 32 2 42 1 33 2 7 1 34 10 7 1 35 10 13 1 36 16 44 1 37 16 45 1 38 25 5 1 39 25 24 ar 40 21 20 1 41 21 22 2 42 18 48 1 43 3 8 1 44 40 13 1 45 23 24 ar 46 23 22 1 47 20 50 1 48 24 26 1 49 8 7 1 50 8 30 1 51 54 26 1 52 22 52 1 53 7 11 1 54 13 39 1 55 13 38 1 56 55 26 1 57 26 53 1 58 11 34 1 59 11 33 1 60 11 32 1