@MOLECULE 5-o-{2-o-[(2e)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-alpha-l-arabinofuranosyl}-l-arabinose 58 59 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.6923 1.7455 0.9233 O.3 1 UNL11 -0.4616 2 O -2.6095 -0.3622 0.6477 O.3 1 UNL11 -0.4747 3 O 0.4306 0.5508 -0.9182 O.3 1 UNL11 -0.4323 4 O -2.8228 1.2191 -2.0873 O.3 1 UNL11 -0.5371 5 O -1.1027 4.5051 0.8606 O.3 1 UNL11 -0.5354 6 O -4.1568 -2.3846 1.7446 O.3 1 UNL11 -0.5506 7 O -5.2993 0.3107 -0.3503 O.3 1 UNL11 -0.5591 8 O -7.4249 -0.7570 0.9043 O.3 1 UNL11 -0.5499 9 O 0.8145 -1.5107 -0.1115 O.2 1 UNL11 -0.5024 10 O -8.2895 -1.3369 -1.5464 O.2 1 UNL11 -0.4248 11 O 8.4016 -1.7543 -0.2205 O.3 1 UNL11 -0.2566 12 O 9.0026 0.6861 0.3057 O.3 1 UNL11 -0.4266 13 C -1.6208 1.5685 -1.4731 C.3 1 UNL11 0.0970 14 C -0.9642 0.3158 -0.8360 C.3 1 UNL11 0.0139 15 C -1.8526 2.5134 -0.2744 C.3 1 UNL11 0.0135 16 C -1.4219 0.3948 0.6371 C.3 1 UNL11 0.2906 17 C -0.7999 3.6250 -0.1991 C.3 1 UNL11 -0.0326 18 C -3.4982 -0.0560 1.7141 C.3 1 UNL11 -0.0638 19 C -4.6295 -1.0741 1.5371 C.3 1 UNL11 0.0873 20 C -5.2265 -1.0139 0.1086 C.3 1 UNL11 0.0981 21 C 1.2530 -0.4510 -0.4810 C.2 1 UNL11 0.6127 22 C -6.6406 -1.6340 0.1220 C.3 1 UNL11 -0.0333 23 C 2.6411 0.0099 -0.5134 C.2 1 UNL11 -0.3017 24 C -7.1975 -1.7763 -1.2847 C.2 1 UNL11 0.3053 25 C 3.6023 -0.7401 0.0465 C.2 1 UNL11 -0.0117 26 C 5.0018 -0.3307 0.1055 C.ar 1 UNL11 -0.0566 27 C 5.9986 -1.3030 -0.0948 C.ar 1 UNL11 -0.2358 28 C 5.3465 0.9896 0.3742 C.ar 1 UNL11 -0.1191 29 C 7.3327 -0.9375 -0.0367 C.ar 1 UNL11 0.1495 30 C 6.6912 1.3663 0.4516 C.ar 1 UNL11 -0.2658 31 C 7.6764 0.4123 0.2447 C.ar 1 UNL11 0.2089 32 C 8.1111 -3.1100 -0.5394 C.3 1 UNL11 -0.2198 33 H -1.0177 2.0046 -2.2960 H 1 UNL11 0.1699 34 H -1.2348 -0.6328 -1.3395 H 1 UNL11 0.1781 35 H -2.8874 2.9154 -0.2375 H 1 UNL11 0.1668 36 H -0.7273 0.0476 1.4213 H 1 UNL11 0.1482 37 H -0.8204 4.2768 -1.0920 H 1 UNL11 0.1491 38 H 0.2160 3.2149 -0.0492 H 1 UNL11 0.1351 39 H -3.8540 0.9856 1.6148 H 1 UNL11 0.1510 40 H -2.9772 -0.1849 2.6790 H 1 UNL11 0.1354 41 H -3.4655 0.8374 -1.4333 H 1 UNL11 0.3522 42 H -5.4106 -0.9491 2.3241 H 1 UNL11 0.1685 43 H -4.5508 -1.5085 -0.6255 H 1 UNL11 0.1576 44 H -1.2064 3.9956 1.6937 H 1 UNL11 0.3232 45 H -6.6419 -2.6192 0.6524 H 1 UNL11 0.1755 46 H -3.2758 -2.5006 1.3197 H 1 UNL11 0.3345 47 H -6.0065 0.8010 0.1313 H 1 UNL11 0.3423 48 H 2.8267 0.9700 -0.9945 H 1 UNL11 0.1899 49 H -6.5841 -2.2916 -2.0303 H 1 UNL11 0.1274 50 H -8.2858 -0.5717 0.4524 H 1 UNL11 0.3463 51 H 3.3699 -1.7156 0.4969 H 1 UNL11 0.1721 52 H 5.7074 -2.3305 -0.3013 H 1 UNL11 0.1701 53 H 4.5715 1.7376 0.5405 H 1 UNL11 0.1625 54 H 6.9557 2.3961 0.6749 H 1 UNL11 0.1656 55 H 9.1691 1.6427 0.4997 H 1 UNL11 0.3214 56 H 7.5985 -3.6072 0.2894 H 1 UNL11 0.1363 57 H 7.5428 -3.1864 -1.4713 H 1 UNL11 0.1364 58 H 9.1189 -3.5290 -0.6727 H 1 UNL11 0.1591 @BOND 1 1 15 1 2 1 16 1 3 2 16 1 4 2 18 1 5 3 14 1 6 3 21 1 7 4 13 1 8 4 41 1 9 5 17 1 10 5 44 1 11 6 19 1 12 6 46 1 13 7 20 1 14 7 47 1 15 8 22 1 16 8 50 1 17 9 21 2 18 10 24 2 19 11 29 1 20 11 32 1 21 12 31 1 22 12 55 1 23 13 14 1 24 13 33 1 25 14 16 1 26 14 34 1 27 15 13 1 28 15 17 1 29 15 35 1 30 16 36 1 31 17 37 1 32 17 38 1 33 18 19 1 34 18 39 1 35 18 40 1 36 19 20 1 37 19 42 1 38 20 22 1 39 20 43 1 40 21 23 1 41 22 24 1 42 22 45 1 43 23 25 2 44 23 48 1 45 24 49 1 46 25 26 1 47 25 51 1 48 26 27 ar 49 26 28 ar 50 27 29 ar 51 27 52 1 52 28 30 ar 53 28 53 1 54 29 31 ar 55 30 31 ar 56 30 54 1 57 32 56 1 58 32 57 1 59 32 58 1