@MOLECULE (2z)-n-[(2s)-2-(beta-d-glucopyranosyloxy)-2-(4-methoxyphenyl)ethyl]-3-phenylacrylamide 62 64 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -0.8969 -0.8691 0.7763 C.3 1 UNL1 0.1111 2 C 0.0232 1.2787 0.2916 C.3 1 UNL1 0.2750 3 C -0.9432 3.3745 0.8284 C.3 1 UNL1 0.0451 4 C -0.0772 4.1164 -0.2117 C.3 1 UNL1 0.0713 5 C 1.2242 3.3368 -0.4970 C.3 1 UNL1 0.0673 6 C 0.9140 1.8690 -0.8254 C.3 1 UNL1 0.0316 7 C -4.0973 -1.1089 -1.2492 C.ar 1 UNL1 -0.3093 8 C -2.8364 -0.7077 -0.8101 C.ar 1 UNL1 -0.0501 9 C -2.9367 -2.3040 1.0058 C.ar 1 UNL1 -0.0913 10 C -4.1902 -2.7192 0.5866 C.ar 1 UNL1 -0.2469 11 C 3.8886 -2.7078 -0.5532 C.ar 1 UNL1 -0.1379 12 C 3.6853 -2.8520 -1.9231 C.ar 1 UNL1 -0.1473 13 C 3.8586 -1.7615 -2.7734 C.ar 1 UNL1 -0.1433 14 C 4.2429 -0.5260 -2.2538 C.ar 1 UNL1 -0.1709 15 C 4.4470 -0.3765 -0.8841 C.ar 1 UNL1 -0.1444 16 C 0.1183 -2.0391 0.7892 C.3 1 UNL1 -0.1013 17 C -2.3590 3.9661 0.9122 C.3 1 UNL1 -0.0106 18 C -6.6506 -2.0710 -1.9803 C.3 1 UNL1 -0.2022 19 H 1.7625 -0.7135 0.6659 H 1 UNL1 0.3250 20 H -3.0845 2.3655 1.8006 H 1 UNL1 0.3259 21 H 0.8699 5.8450 -0.1678 H 1 UNL1 0.3365 22 H 2.5655 3.4889 -1.9398 H 1 UNL1 0.3350 23 H 2.1407 0.4049 -1.3691 H 1 UNL1 0.3422 24 C -4.7581 -2.1162 -0.5488 C.ar 1 UNL1 0.2576 25 C -2.2511 -1.3058 0.3033 C.ar 1 UNL1 -0.1372 26 C 4.2609 -1.4669 -0.0289 C.ar 1 UNL1 -0.0409 27 O 1.8366 -3.2281 2.5996 O.2 1 UNL1 -0.5324 28 O -3.0734 3.3372 1.9518 O.3 1 UNL1 -0.5361 29 O 0.2409 5.3464 0.4015 O.3 1 UNL1 -0.5494 30 O 1.7728 3.9786 -1.6303 O.3 1 UNL1 -0.5635 31 O 2.1521 1.1925 -0.7761 O.3 1 UNL1 -0.5750 32 C 2.2280 -2.2093 2.0630 C.2 1 UNL1 0.5867 33 O -5.9810 -2.6237 -0.8563 O.3 1 UNL1 -0.3196 34 O -0.3642 0.0326 -0.1998 O.3 1 UNL1 -0.4181 35 C 3.5580 -1.6098 2.3445 C.2 1 UNL1 -0.2568 36 C 4.4620 -1.2965 1.4121 C.2 1 UNL1 -0.1031 37 O -1.1687 2.0464 0.3876 O.3 1 UNL1 -0.4603 38 N 1.4249 -1.5114 1.1870 N.am 1 UNL1 -0.6003 39 H 0.5199 1.2174 1.2815 H 1 UNL1 0.1294 40 H -4.5399 -0.6363 -2.1180 H 1 UNL1 0.1615 41 H -2.3088 0.0885 -1.3426 H 1 UNL1 0.1706 42 H -2.4868 -2.7591 1.8892 H 1 UNL1 0.1578 43 H -4.7383 -3.4952 1.1146 H 1 UNL1 0.1726 44 H -6.0786 -2.2372 -2.8980 H 1 UNL1 0.1340 45 H -7.5848 -2.6492 -2.0004 H 1 UNL1 0.1533 46 H -6.8614 -1.0084 -1.8254 H 1 UNL1 0.1354 47 H -0.9649 -0.3817 1.7759 H 1 UNL1 0.1473 48 H -0.2084 -2.8415 1.4924 H 1 UNL1 0.1812 49 H 0.1803 -2.4983 -0.2238 H 1 UNL1 0.1512 50 H 3.7508 -1.4826 3.4122 H 1 UNL1 0.1825 51 H -0.4569 3.3658 1.8292 H 1 UNL1 0.1525 52 H -0.6290 4.3168 -1.1568 H 1 UNL1 0.1482 53 H 1.9538 3.4239 0.3402 H 1 UNL1 0.1521 54 H 0.4453 1.7563 -1.8261 H 1 UNL1 0.1579 55 H -2.3289 5.0325 1.2093 H 1 UNL1 0.1600 56 H -2.9141 3.8455 -0.0349 H 1 UNL1 0.1290 57 H 5.4357 -0.8773 1.6895 H 1 UNL1 0.1646 58 H 3.7531 -3.5612 0.1137 H 1 UNL1 0.1691 59 H 3.3903 -3.8190 -2.3287 H 1 UNL1 0.1586 60 H 3.7009 -1.8763 -3.8444 H 1 UNL1 0.1535 61 H 4.3945 0.3213 -2.9202 H 1 UNL1 0.1528 62 H 4.7383 0.5922 -0.4780 H 1 UNL1 0.1625 @BOND 1 60 13 1 2 61 14 1 3 44 18 1 4 13 14 ar 5 13 12 ar 6 59 12 1 7 14 15 ar 8 40 7 1 9 45 18 1 10 18 46 1 11 18 33 1 12 22 30 1 13 12 11 ar 14 54 6 1 15 30 5 1 16 23 31 1 17 41 8 1 18 7 8 ar 19 7 24 ar 20 52 4 1 21 15 62 1 22 15 26 ar 23 33 24 1 24 6 31 1 25 6 5 1 26 6 2 1 27 8 25 ar 28 11 26 ar 29 11 58 1 30 24 10 ar 31 5 4 1 32 5 53 1 33 49 16 1 34 4 29 1 35 4 3 1 36 34 2 1 37 34 1 1 38 21 29 1 39 56 17 1 40 26 36 1 41 2 37 1 42 2 39 1 43 25 1 1 44 25 9 ar 45 37 3 1 46 10 9 ar 47 10 43 1 48 19 38 1 49 1 16 1 50 1 47 1 51 16 38 1 52 16 48 1 53 3 17 1 54 3 51 1 55 17 55 1 56 17 28 1 57 9 42 1 58 38 32 am 59 36 57 1 60 36 35 2 61 20 28 1 62 32 35 1 63 32 27 2 64 35 50 1