@MOLECULE 4-[(1e)-3-hydroxy-1-propen-1-yl]-2-methoxyphenyl 6-o-[(2e)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-beta-d-glucopyranoside 64 66 0 0 0 SMALL USER_CHARGES @ATOM 1 O 3.0385 -0.2424 -0.0182 O.3 1 UNL111 -0.4160 2 O 5.9498 -2.2046 -0.7568 O.3 1 UNL111 -0.5561 3 O 7.0475 0.2962 0.2046 O.3 1 UNL111 -0.5641 4 O 2.6480 1.9879 0.0783 O.3 1 UNL111 -0.3478 5 O 5.3547 2.4672 -0.7478 O.3 1 UNL111 -0.5598 6 O 1.8208 -2.6341 -0.3776 O.3 1 UNL111 -0.4108 7 O 1.1009 1.3352 2.0810 O.3 1 UNL111 -0.2576 8 O 0.9992 -2.2523 1.6901 O.2 1 UNL111 -0.5188 9 O -6.0472 1.9620 1.0264 O.3 1 UNL111 -0.5487 10 O -6.3174 -1.1491 1.1229 O.3 1 UNL111 -0.4415 11 O -6.7040 -0.8494 -1.4444 O.3 1 UNL111 -0.4245 12 C 5.2612 -1.1797 -0.0742 C.3 1 UNL111 0.0732 13 C 5.8245 0.1918 -0.4961 C.3 1 UNL111 0.0716 14 C 3.7919 -1.3272 -0.5287 C.3 1 UNL111 0.0551 15 C 4.8773 1.3251 -0.0698 C.3 1 UNL111 0.0358 16 C 3.4446 1.0067 -0.5511 C.3 1 UNL111 0.2487 17 C 3.1559 -2.5673 0.1133 C.3 1 UNL111 -0.0376 18 C 1.3007 1.8650 -0.1720 C.ar 1 UNL111 0.1089 19 C 0.4534 1.5542 0.9125 C.ar 1 UNL111 0.2026 20 C 0.7744 2.1517 -1.4235 C.ar 1 UNL111 -0.1636 21 C 0.8278 -2.3200 0.4971 C.2 1 UNL111 0.6224 22 C -0.9281 1.5557 0.7289 C.ar 1 UNL111 -0.2872 23 C -0.6081 2.1556 -1.5980 C.ar 1 UNL111 -0.2124 24 C -1.4624 1.8803 -0.5241 C.ar 1 UNL111 0.0602 25 C -0.4412 -2.1376 -0.2206 C.2 1 UNL111 -0.2831 26 C -2.9043 1.9720 -0.7477 C.2 1 UNL111 -0.1917 27 C -1.5393 -1.8311 0.4862 C.2 1 UNL111 -0.0367 28 C 0.3604 0.6754 3.1021 C.3 1 UNL111 -0.2207 29 C -2.8637 -1.5988 -0.0746 C.ar 1 UNL111 -0.0289 30 C -3.8112 2.1623 0.2179 C.2 1 UNL111 -0.1622 31 C -3.9489 -1.5220 0.8176 C.ar 1 UNL111 -0.2267 32 C -3.0781 -1.4328 -1.4424 C.ar 1 UNL111 -0.0995 33 C -5.2637 2.3675 -0.0783 C.3 1 UNL111 -0.0127 34 C -5.2205 -1.2763 0.3284 C.ar 1 UNL111 0.1680 35 C -4.3607 -1.1918 -1.9409 C.ar 1 UNL111 -0.2690 36 C -5.4315 -1.1098 -1.0596 C.ar 1 UNL111 0.2049 37 H 5.3829 -1.3329 1.0222 H 1 UNL111 0.1539 38 H 6.0471 0.2344 -1.5869 H 1 UNL111 0.1510 39 H 3.7068 -1.3621 -1.6375 H 1 UNL111 0.1491 40 H 4.9053 1.5047 1.0289 H 1 UNL111 0.1656 41 H 3.3083 1.0256 -1.6499 H 1 UNL111 0.1273 42 H 3.6338 -3.4971 -0.2506 H 1 UNL111 0.1599 43 H 3.1864 -2.5280 1.2190 H 1 UNL111 0.1662 44 H 6.9174 -2.1086 -0.6039 H 1 UNL111 0.3390 45 H 7.4123 1.2036 0.1034 H 1 UNL111 0.3391 46 H 4.7933 3.2447 -0.5295 H 1 UNL111 0.3389 47 H 1.4363 2.3828 -2.2554 H 1 UNL111 0.1620 48 H -1.5933 1.3144 1.5525 H 1 UNL111 0.1706 49 H -1.0220 2.3900 -2.5753 H 1 UNL111 0.1553 50 H -0.4103 -2.2471 -1.3016 H 1 UNL111 0.1826 51 H -3.2101 1.9099 -1.7950 H 1 UNL111 0.1498 52 H -1.4730 -1.7415 1.5822 H 1 UNL111 0.1692 53 H -0.4603 1.3003 3.4622 H 1 UNL111 0.1303 54 H 0.0147 -0.3072 2.7600 H 1 UNL111 0.1497 55 H 1.1236 0.5452 3.8825 H 1 UNL111 0.1581 56 H -3.5588 2.2168 1.2766 H 1 UNL111 0.1666 57 H -3.7871 -1.6500 1.8862 H 1 UNL111 0.1681 58 H -2.2388 -1.4793 -2.1376 H 1 UNL111 0.1637 59 H -5.6049 1.8520 -0.9938 H 1 UNL111 0.1202 60 H -5.4961 3.4517 -0.1675 H 1 UNL111 0.1523 61 H -4.5143 -1.0672 -3.0090 H 1 UNL111 0.1633 62 H -6.2422 1.0014 0.9691 H 1 UNL111 0.3281 63 H -6.1118 -1.3852 2.0641 H 1 UNL111 0.3256 64 H -6.7859 -0.8111 -2.4317 H 1 UNL111 0.3209 @BOND 1 61 35 1 2 49 23 1 3 64 11 1 4 47 20 1 5 58 32 1 6 35 32 ar 7 35 36 ar 8 51 26 1 9 41 16 1 10 39 14 1 11 23 20 ar 12 23 24 ar 13 38 13 1 14 11 36 1 15 32 29 ar 16 20 18 ar 17 50 25 1 18 36 34 ar 19 59 33 1 20 2 44 1 21 2 12 1 22 5 46 1 23 5 15 1 24 26 24 1 25 26 30 2 26 16 15 1 27 16 1 1 28 16 4 1 29 14 12 1 30 14 1 1 31 14 17 1 32 24 22 ar 33 13 12 1 34 13 15 1 35 13 3 1 36 6 17 1 37 6 21 1 38 42 17 1 39 25 27 2 40 25 21 1 41 18 4 1 42 18 19 ar 43 60 33 1 44 33 30 1 45 33 9 1 46 29 27 1 47 29 31 ar 48 12 37 1 49 15 40 1 50 45 3 1 51 17 43 1 52 30 56 1 53 34 31 ar 54 34 10 1 55 27 52 1 56 21 8 2 57 22 19 ar 58 22 48 1 59 31 57 1 60 19 7 1 61 62 9 1 62 10 63 1 63 7 28 1 64 54 28 1 65 28 53 1 66 28 55 1