@MOLECULE (2z,4r,5r,6z,8z,11z)-13-(5,6-dimethoxy-3-methyl-4-oxo-1,4-dihydro-2-pyridinyl)-1-hydroxy-3,5,7,11-tetramethyl-2,6,8,11-tridecatetraen-4-yl beta-d-glucopyranoside 47 50 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 8.0648 0.0772 0.5528 O.2 1 UNL1 -0.1589 2 O 3.6899 0.2120 1.0411 O.2 1 UNL1 -0.4179 3 O 9.5032 2.5603 -1.7326 O.2 1 UNL1 -0.2644 4 O 9.2708 3.3859 1.0850 O.2 1 UNL1 -0.3681 5 O 6.7199 1.8142 -2.2413 O.2 1 UNL1 -0.3099 6 O 8.1632 1.0396 3.7655 O.2 1 UNL1 -0.1426 7 O 5.4577 -4.5416 -0.4362 O.2 1 UNL1 -0.1549 8 O -11.4431 2.4466 0.0560 O.2 1 UNL1 -0.5399 9 O -9.5055 2.5553 -1.0848 O.3 1 UNL1 -0.3603 10 O -6.9928 1.5237 -1.5990 O.2 1 UNL1 -0.3600 11 N -9.4012 -0.2505 1.2475 N.2 1 UNL1 -0.3152 12 C 8.6922 2.2147 -0.9293 C.2 1 UNL1 0.2702 13 C 8.8521 2.3799 0.5790 C.2 1 UNL1 0.4003 14 C 7.3997 1.4946 -1.3088 C.2 1 UNL1 0.3421 15 C 8.3807 1.2091 1.2931 C.2 1 UNL1 -0.3333 16 C 7.0808 0.3732 -0.3906 C.2 1 UNL1 -0.0145 17 C 3.6740 -0.6605 0.2147 C.2 1 UNL1 0.5234 18 C 8.2367 1.1236 2.6217 C.1 1 UNL1 0.5453 19 C 2.4984 -1.4248 -0.2040 C.2 1 UNL1 -0.6483 20 C 4.9276 -1.1007 -0.5033 C.2 1 UNL1 -0.0919 21 C 2.6687 -2.4889 -1.0128 C.2 1 UNL1 0.4753 22 C 1.2152 -0.9817 0.2747 C.2 1 UNL1 0.1417 23 C 6.0149 -0.3823 -0.4461 C.1 1 UNL1 0.0570 24 C 4.7623 -2.3162 -1.2950 C.2 1 UNL1 -0.5407 25 C 0.0161 -1.4358 -0.1464 C.2 1 UNL1 -0.3600 26 C 5.1643 -3.5067 -0.8403 C.1 1 UNL1 0.5722 27 C -1.2358 -0.8797 0.3758 C.3 1 UNL1 0.2563 28 C -0.2990 -2.4541 -1.1594 C.3 1 UNL1 -0.1215 29 C -1.6401 -2.5418 -1.3207 C.2 1 UNL1 -0.1491 30 C -2.3003 -1.5836 -0.4245 C.2 1 UNL1 -0.2909 31 C -3.5645 -1.2898 -0.3011 C.3 1 UNL1 0.3310 32 C -7.4204 -2.8094 2.4163 C.1 1 UNL1 -0.1068 33 C -7.7696 -1.8405 1.7787 C.1 1 UNL1 -0.1067 34 C -8.1932 -0.7082 1.0394 C.2 1 UNL1 0.2848 35 C -4.7945 -0.9486 -0.1680 C.1 1 UNL1 -0.3038 36 C -7.2395 -0.1223 0.0872 C.3 1 UNL1 -0.3482 37 C -7.6769 1.0183 -0.7468 C.2 1 UNL1 0.4530 38 C -9.8196 0.8578 0.5262 C.2 1 UNL1 -0.2301 39 C -9.0458 1.4721 -0.4093 C.3 1 UNL1 0.0595 40 C -5.9952 -0.5621 -0.0417 C.1 1 UNL1 0.3437 41 C -11.2075 1.3911 0.8139 C.2 1 UNL1 0.5076 42 C -10.7075 3.0678 -0.8659 C.3 1 UNL1 0.5442 43 H 1.2495 -0.1855 1.0436 H 1 UNL1 0.1830 44 H 4.5988 -2.1623 -2.3755 H 1 UNL1 0.2498 45 H 0.4511 -3.0223 -1.6793 H 1 UNL1 0.1480 46 H -2.1889 -3.1830 -1.9838 H 1 UNL1 0.1594 47 H -7.1204 -3.6335 2.9574 H 1 UNL1 0.1902 @BOND 1 44 24 1 2 5 14 2 3 46 29 1 4 3 12 2 5 45 28 1 6 10 37 2 7 29 28 1 8 29 30 2 9 14 12 1 10 14 16 1 11 24 26 2 12 24 20 1 13 28 25 1 14 9 42 1 15 9 39 1 16 21 19 2 17 12 13 1 18 42 8 1 19 26 7 2 20 37 39 1 21 37 36 1 22 20 23 2 23 20 17 1 24 23 16 2 25 30 31 1 26 30 27 1 27 39 38 1 28 16 1 1 29 31 35 1 30 19 17 1 31 19 22 1 32 35 40 3 33 25 22 2 34 25 27 1 35 40 36 1 36 8 41 1 37 36 34 1 38 17 2 2 39 22 43 1 40 38 41 2 41 38 11 1 42 1 15 1 43 13 4 2 44 13 15 1 45 34 11 2 46 34 33 1 47 15 18 2 48 33 32 3 49 32 47 1 50 18 6 2