@MOLECULE methyl 5-o-[(2e)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-alpha-l-arabinofuranoside 44 45 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.0010 0.3698 -0.8576 O.3 1 UNL1111111111 -0.4348 2 O 4.9583 0.6529 2.2370 O.3 1 UNL1111111111 -0.5358 3 O 5.9662 1.5605 -0.6325 O.3 1 UNL1111111111 -0.4584 4 O 5.8861 -1.9106 0.0078 O.3 1 UNL1111111111 -0.5273 5 O 1.2038 -0.4986 0.4106 O.3 1 UNL1111111111 -0.4293 6 O 0.2303 -2.1144 -0.8132 O.2 1 UNL1111111111 -0.5137 7 O -7.1546 -0.6212 -0.1316 O.3 1 UNL1111111111 -0.3427 8 O -7.0780 2.0042 0.4543 O.3 1 UNL1111111111 -0.4460 9 C 4.6676 -0.3726 1.3271 C.3 1 UNL1111111111 0.0965 10 C 3.4759 0.0291 0.4288 C.3 1 UNL1111111111 0.0398 11 C 5.8520 -0.5469 0.3431 C.3 1 UNL1111111111 0.0265 12 C 5.4043 0.2895 -0.8801 C.3 1 UNL1111111111 0.2638 13 C 2.4802 -1.1068 0.1920 C.3 1 UNL1111111111 -0.0481 14 C 5.5065 2.5755 -1.5068 C.3 1 UNL1111111111 -0.1694 15 C 0.1314 -1.0981 -0.1705 C.2 1 UNL1111111111 0.6125 16 C -1.0827 -0.3278 0.1223 C.2 1 UNL1111111111 -0.2940 17 C -2.2501 -0.6829 -0.4357 C.2 1 UNL1111111111 -0.0271 18 C -3.5073 0.0206 -0.2064 C.ar 1 UNL1111111111 -0.0555 19 C -4.7061 -0.7102 -0.2854 C.ar 1 UNL1111111111 -0.2085 20 C -3.5361 1.3870 0.0757 C.ar 1 UNL1111111111 -0.1158 21 C -5.9103 -0.0646 -0.0654 C.ar 1 UNL1111111111 0.0975 22 C -5.9310 1.3193 0.2283 C.ar 1 UNL1111111111 0.2167 23 C -4.7468 2.0447 0.2929 C.ar 1 UNL1111111111 -0.2127 24 C -7.2138 -2.0407 -0.1609 C.3 1 UNL1111111111 -0.1855 25 H 4.4930 -1.2605 1.9674 H 1 UNL1111111111 0.1754 26 H 2.9649 0.9470 0.8018 H 1 UNL1111111111 0.1709 27 H 6.8175 -0.2182 0.7745 H 1 UNL1111111111 0.1551 28 H 5.6684 -0.0836 -1.8834 H 1 UNL1111111111 0.1394 29 H 2.5704 -1.9405 0.9081 H 1 UNL1111111111 0.1455 30 H 2.5516 -1.5049 -0.8410 H 1 UNL1111111111 0.1720 31 H 5.2319 1.4698 1.7556 H 1 UNL1111111111 0.3310 32 H 6.7213 -2.1357 -0.4522 H 1 UNL1111111111 0.3213 33 H 4.4184 2.6873 -1.4353 H 1 UNL1111111111 0.1406 34 H 6.0148 3.4735 -1.1346 H 1 UNL1111111111 0.1428 35 H 5.8073 2.3573 -2.5361 H 1 UNL1111111111 0.1233 36 H -0.9667 0.5146 0.8028 H 1 UNL1111111111 0.1860 37 H -2.3064 -1.5539 -1.1046 H 1 UNL1111111111 0.1706 38 H -4.6740 -1.7726 -0.5148 H 1 UNL1111111111 0.1677 39 H -2.6065 1.9557 0.1209 H 1 UNL1111111111 0.1638 40 H -4.7798 3.1107 0.5125 H 1 UNL1111111111 0.1797 41 H -7.8699 1.4067 0.4050 H 1 UNL1111111111 0.3395 42 H -6.8062 -2.4220 -1.1029 H 1 UNL1111111111 0.1365 43 H -6.7042 -2.4761 0.7044 H 1 UNL1111111111 0.1372 44 H -8.2954 -2.2275 -0.1067 H 1 UNL1111111111 0.1529 @BOND 1 1 10 1 2 1 12 1 3 2 9 1 4 2 31 1 5 3 12 1 6 3 14 1 7 4 11 1 8 4 32 1 9 5 13 1 10 5 15 1 11 6 15 2 12 7 21 1 13 7 24 1 14 8 22 1 15 8 41 1 16 9 10 1 17 9 11 1 18 9 25 1 19 10 13 1 20 10 26 1 21 11 12 1 22 11 27 1 23 12 28 1 24 13 29 1 25 13 30 1 26 14 33 1 27 14 34 1 28 14 35 1 29 15 16 1 30 16 17 2 31 16 36 1 32 17 18 1 33 17 37 1 34 18 19 ar 35 18 20 ar 36 19 21 ar 37 19 38 1 38 20 23 ar 39 20 39 1 40 21 22 ar 41 22 23 ar 42 23 40 1 43 24 42 1 44 24 43 1 45 24 44 1