@MOLECULE (2e,6e,8e,12e)-13-(5,6-dimethoxy-3-methyl-4-oxo-1,4-dihydro-2-pyridinyl)-11-hydroxy-3,5,7,11-tetramethyl-2,6,8,12-tridecatetraen-4-yl beta-d-glucopyranoside 48 49 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 7.6150 0.3851 0.3623 O.2 1 UNL1 -0.1707 2 O 6.0722 1.1441 -1.0002 O.2 1 UNL1 -0.3099 3 O 5.5948 -2.7850 1.6957 O.2 1 UNL1 -0.3018 4 O 8.4080 -2.9293 1.4737 O.2 1 UNL1 -0.3761 5 O 4.4660 -1.3606 -0.4114 O.2 1 UNL1 -0.1306 6 O 10.8109 -0.5364 0.1486 O.2 1 UNL1 -0.1493 7 O -2.0223 -2.9946 -2.1375 O.2 1 UNL1 -0.4472 8 O -7.3703 3.5095 1.2039 O.2 2 UNL2 -0.4505 9 O -11.3567 0.1928 0.6719 O.2 1 UNL1 -0.2480 10 O -10.2707 -1.8431 -1.0739 O.2 1 UNL1 -0.5067 11 N -7.5426 0.5912 0.8550 N.2 1 UNL1 -0.4110 12 C 6.2352 -2.0099 1.0468 C.2 1 UNL1 0.3818 13 C 7.7678 -1.9836 1.0966 C.2 1 UNL1 0.3897 14 C 5.6802 -1.0051 0.1286 C.2 1 UNL1 -0.1706 15 C 8.3718 -0.7618 0.5873 C.2 1 UNL1 -0.3153 16 C 6.3888 0.0963 -0.1943 C.2 1 UNL1 0.3517 17 C 4.8265 1.7334 -0.8718 C.2 1 UNL1 0.3533 18 C 9.6797 -0.6346 0.3322 C.1 1 UNL1 0.5390 19 C 3.6977 1.0644 -0.5906 C.2 1 UNL1 -0.2162 20 C 4.9871 3.1383 -1.1865 C.2 1 UNL1 -0.5095 21 C 3.5309 -0.3860 -0.3225 C.2 1 UNL1 0.0598 22 C 2.3428 1.6324 -0.5281 C.2 1 UNL1 -0.1597 23 C 5.4614 3.6061 -2.3393 C.2 1 UNL1 0.5133 24 C 4.6960 4.1055 -0.1369 C.2 1 UNL1 -0.6225 25 C 1.4262 0.6215 -0.2352 C.2 1 UNL1 -0.0257 26 C 3.4889 4.4276 0.2793 C.2 1 UNL1 0.4402 27 C 0.0122 0.7564 -0.0756 C.2 1 UNL1 -0.0983 28 C 2.2063 -0.5645 -0.1230 C.2 1 UNL1 0.0193 29 C -2.1682 -0.1629 0.3869 C.1 1 UNL1 -0.0531 30 C -3.3750 -0.0465 0.5091 C.1 1 UNL1 -0.1019 31 C -0.7847 -0.2943 0.2417 C.2 1 UNL1 -0.1329 32 C -1.0180 -2.9360 -1.6017 C.2 1 UNL1 0.4467 33 C -4.7586 0.1065 0.6615 C.2 1 UNL1 -0.0043 34 C -5.6565 -0.5484 -0.1060 C.2 1 UNL1 -0.2288 35 C -7.0968 -0.3772 0.0599 C.2 1 UNL1 0.3326 36 C -8.0037 -1.2797 -0.6551 C.2 1 UNL1 -0.7473 37 C -9.4871 -1.1288 -0.4872 C.2 1 UNL1 0.5499 38 C -8.8816 0.6485 0.9670 C.2 1 UNL1 0.1626 39 C -9.8284 -0.0643 0.4167 C.2 1 UNL1 -0.2850 40 C -7.6065 -2.2551 -1.4763 C.2 1 UNL1 0.6252 41 C -6.5413 2.8626 1.6467 C.2 2 UNL2 0.4455 42 C -12.4185 -0.0436 0.2952 C.3 1 UNL1 0.4662 43 H 2.1237 2.6663 -0.6891 H 1 UNL1 0.1575 44 H 5.5716 4.5385 0.3632 H 1 UNL1 0.2203 45 H -0.4051 1.7566 -0.2236 H 1 UNL1 0.1622 46 H -0.3639 -1.2987 0.3973 H 1 UNL1 0.1865 47 H -5.0838 0.8110 1.4534 H 1 UNL1 0.2070 48 H -5.3304 -1.2361 -0.8876 H 1 UNL1 0.1625 @BOND 1 23 20 2 2 7 32 2 3 40 36 2 4 20 17 1 5 20 24 1 6 10 37 2 7 2 17 1 8 2 16 1 9 48 34 1 10 17 19 2 11 43 22 1 12 36 37 1 13 36 35 1 14 19 22 1 15 19 21 1 16 22 25 2 17 37 39 1 18 5 21 1 19 5 14 1 20 21 28 2 21 25 28 1 22 25 27 1 23 45 27 1 24 16 14 2 25 16 1 1 26 24 26 2 27 24 44 1 28 34 35 1 29 34 33 2 30 27 31 2 31 35 11 2 32 14 12 1 33 6 18 2 34 31 29 1 35 31 46 1 36 42 9 1 37 18 15 2 38 1 15 1 39 29 30 3 40 39 9 1 41 39 38 2 42 30 33 1 43 15 13 1 44 33 47 1 45 11 38 1 46 12 13 1 47 12 3 2 48 13 4 2 49 8 41 2