@MOLECULE (2s,3z)-5-{[(2r,3r,5s,6s)-2,5-dimethyl-6-{(2e,4e)-3-methyl-5-[(3s,4r,5r,7r,8r)-4,7,8-trihydroxy-7-methyl-1,6-dioxaspiro[2.5]oct-5-yl]-2,4-pentadien-1-yl}tetrahydro-2h-pyran-3-yl]amino}-5-oxo-3-penten-2-yl acetate 78 80 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 6.4979 0.7552 -1.2556 C.3 1 UNL1 0.0418 2 C 6.4268 -0.7530 -1.3663 C.3 1 UNL1 0.0672 3 C 6.5910 1.3037 0.1570 C.3 1 UNL1 0.0816 4 C 5.6045 -1.4043 -0.2162 C.3 1 UNL1 0.4758 5 C 5.5206 0.6512 1.0544 C.3 1 UNL1 0.0673 6 C -1.4514 0.3655 2.0657 C.3 1 UNL1 0.1123 7 C -3.4274 -1.6093 1.2215 C.3 1 UNL1 0.0392 8 C -2.9291 0.6513 2.4079 C.3 1 UNL1 -0.1355 9 C -1.9070 -1.6395 0.8970 C.3 1 UNL1 0.1011 10 C -7.1398 -0.0011 -0.6947 C.3 1 UNL1 0.1449 11 C -0.6175 1.6370 1.8260 C.3 1 UNL1 -0.2997 12 C 5.9794 -2.8482 0.0877 C.3 1 UNL1 -0.4969 13 C 1.3203 0.8254 -0.3429 C.3 1 UNL1 -0.4593 14 C -3.5416 1.6491 1.4271 C.3 1 UNL1 -0.4470 15 C -1.5915 -2.2368 -0.4699 C.3 1 UNL1 -0.4643 16 C -8.5594 -0.4560 -0.3784 C.3 1 UNL1 -0.4658 17 C -6.4937 3.5406 -1.4688 C.3 1 UNL1 -0.5118 18 H 8.3096 -0.7862 -0.7555 H 1 UNL1 0.3276 19 H 7.8558 0.1522 1.1635 H 1 UNL1 0.3306 20 H 3.6334 -1.4273 0.0604 H 1 UNL1 0.3478 21 H -4.1428 -0.2307 -0.2439 H 1 UNL1 0.3424 22 O -5.0242 -3.2856 -0.2804 O.2 1 UNL1 -0.5495 23 O -5.0589 1.6444 -1.0361 O.2 1 UNL1 -0.5431 24 C 7.0523 1.5408 -2.3956 C.3 1 UNL1 -0.1316 25 C -3.6955 -0.6842 2.4292 C.3 1 UNL1 -0.3131 26 O 7.7288 -1.2877 -1.3715 O.3 1 UNL1 -0.5339 27 O 7.8786 0.9947 0.6531 O.3 1 UNL1 -0.5508 28 O 4.2812 -1.3166 -0.6677 O.3 1 UNL1 -0.5941 29 C 1.6915 0.9775 1.0923 C.2 1 UNL1 0.0289 30 C -4.9542 -2.1225 -0.6371 C.2 1 UNL1 0.5755 31 C -6.1589 2.1223 -1.1642 C.2 1 UNL1 0.6458 32 O -7.2917 1.3950 -1.0231 O.3 1 UNL1 -0.4426 33 C 4.1234 1.0086 0.6642 C.2 1 UNL1 -0.2029 34 C 3.0859 0.6988 1.4504 C.2 1 UNL1 -0.1503 35 C 0.8271 1.3434 2.0533 C.2 1 UNL1 -0.1970 36 C -5.6352 -1.6331 -1.8657 C.2 1 UNL1 -0.2347 37 C -6.5966 -0.7120 -1.8982 C.2 1 UNL1 -0.1535 38 O 5.6467 1.4909 -2.1328 O.3 1 UNL1 -0.3123 39 O 5.7364 -0.7491 1.0286 O.3 1 UNL1 -0.4754 40 O -1.3868 -0.3241 0.8267 O.3 1 UNL1 -0.4113 41 N -4.2246 -1.1939 0.0666 N.am 1 UNL1 -0.5929 42 H 6.0002 -1.0812 -2.3488 H 1 UNL1 0.1845 43 H 6.5449 2.4157 0.1833 H 1 UNL1 0.1645 44 H 7.5247 2.5061 -2.2329 H 1 UNL1 0.1555 45 H 7.3728 1.0423 -3.3083 H 1 UNL1 0.1599 46 H 5.7254 0.8796 2.1323 H 1 UNL1 0.1603 47 H 3.9998 1.4952 -0.3045 H 1 UNL1 0.1798 48 H 5.5990 -3.1660 1.0663 H 1 UNL1 0.1652 49 H 5.5600 -3.5171 -0.6761 H 1 UNL1 0.1750 50 H 7.0686 -2.9907 0.0894 H 1 UNL1 0.1764 51 H 3.2317 0.2098 2.4169 H 1 UNL1 0.1514 52 H -0.9889 -0.2654 2.8583 H 1 UNL1 0.1157 53 H -3.7394 -2.6585 1.5006 H 1 UNL1 0.1689 54 H 1.1480 1.4390 3.0892 H 1 UNL1 0.1400 55 H -2.9757 1.0919 3.4337 H 1 UNL1 0.1318 56 H -1.3772 -2.1929 1.7066 H 1 UNL1 0.1155 57 H -0.8018 2.0032 0.7924 H 1 UNL1 0.1708 58 H -0.9621 2.4495 2.4940 H 1 UNL1 0.1459 59 H -4.7828 -0.4864 2.5010 H 1 UNL1 0.1515 60 H -3.4353 -1.2360 3.3536 H 1 UNL1 0.1407 61 H 2.0420 0.2177 -0.9080 H 1 UNL1 0.1620 62 H 0.3373 0.3354 -0.4577 H 1 UNL1 0.1835 63 H 1.2569 1.8014 -0.8440 H 1 UNL1 0.1583 64 H -3.2274 1.4366 0.3928 H 1 UNL1 0.1720 65 H -4.6353 1.6263 1.4476 H 1 UNL1 0.1417 66 H -3.2311 2.6760 1.6438 H 1 UNL1 0.1389 67 H -0.5195 -2.4398 -0.5735 H 1 UNL1 0.1545 68 H -2.1425 -3.1714 -0.6328 H 1 UNL1 0.1645 69 H -1.8676 -1.5412 -1.2743 H 1 UNL1 0.1640 70 H -5.2886 -2.1457 -2.7677 H 1 UNL1 0.1817 71 H -7.0668 -0.4117 -2.8381 H 1 UNL1 0.1643 72 H -6.4788 -0.0665 0.2002 H 1 UNL1 0.1496 73 H -8.5893 -1.5377 -0.1894 H 1 UNL1 0.1695 74 H -8.9535 0.0544 0.5094 H 1 UNL1 0.1598 75 H -9.2471 -0.2399 -1.2062 H 1 UNL1 0.1623 76 H -6.4682 4.1488 -0.5497 H 1 UNL1 0.1869 77 H -5.7595 3.9739 -2.1675 H 1 UNL1 0.1887 78 H -7.4962 3.6550 -1.9087 H 1 UNL1 0.1838 @BOND 1 45 24 1 2 71 37 1 3 70 36 1 4 24 44 1 5 24 38 1 6 24 1 1 7 42 2 1 8 77 17 1 9 38 1 1 10 78 17 1 11 37 36 2 12 37 10 1 13 36 30 1 14 17 31 1 15 17 76 1 16 26 2 1 17 26 18 1 18 2 1 1 19 2 4 1 20 69 15 1 21 1 3 1 22 75 16 1 23 31 23 2 24 31 32 1 25 32 10 1 26 61 13 1 27 63 13 1 28 10 16 1 29 10 72 1 30 49 12 1 31 28 4 1 32 28 20 1 33 30 22 2 34 30 41 am 35 68 15 1 36 67 15 1 37 15 9 1 38 62 13 1 39 16 73 1 40 16 74 1 41 13 29 1 42 47 33 1 43 21 41 1 44 4 12 1 45 4 39 1 46 41 7 1 47 12 50 1 48 12 48 1 49 3 43 1 50 3 27 1 51 3 5 1 52 64 14 1 53 27 19 1 54 33 5 1 55 33 34 2 56 57 11 1 57 40 9 1 58 40 6 1 59 9 7 1 60 9 56 1 61 39 5 1 62 5 46 1 63 29 34 1 64 29 35 2 65 7 53 1 66 7 25 1 67 14 65 1 68 14 66 1 69 14 8 1 70 34 51 1 71 11 35 1 72 11 6 1 73 11 58 1 74 35 54 1 75 6 8 1 76 6 52 1 77 8 25 1 78 8 55 1 79 25 59 1 80 25 60 1