@MOLECULE (2e)-2-cyano-4-(alpha-l-talopyranosyloxy)-2-buten-1-yl (2e)-3-(4-hydroxy-3-methoxyphenyl)acrylate 57 58 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.1601 -0.9831 0.7912 O.3 1 UNL11 -0.4407 2 O -7.3735 -0.5236 -1.1077 O.3 1 UNL11 -0.5428 3 O -7.3886 2.2266 -0.6020 O.3 1 UNL11 -0.5230 4 O -4.1524 0.9203 1.6743 O.3 1 UNL11 -0.4547 5 O -7.6650 0.3803 1.4082 O.3 1 UNL11 -0.5565 6 O -3.7851 -2.3342 -1.8440 O.3 1 UNL11 -0.5532 7 O 1.0919 0.2470 -0.3649 O.3 1 UNL11 -0.4210 8 O 9.3231 1.0479 0.2772 O.3 1 UNL11 -0.2587 9 O 2.0836 1.4116 -2.0080 O.2 1 UNL11 -0.5063 10 O 9.4436 -1.3234 1.2549 O.3 1 UNL11 -0.4279 11 N -1.1627 -2.4872 0.1535 N.1 1 UNL11 -0.2549 12 C -6.1698 0.1971 -1.0951 C.3 1 UNL11 0.0533 13 C -6.2963 1.4497 -0.2031 C.3 1 UNL11 0.0791 14 C -5.0140 -0.6861 -0.5954 C.3 1 UNL11 0.0175 15 C -6.4328 1.0608 1.2835 C.3 1 UNL11 0.0351 16 C -5.2927 0.0880 1.6667 C.3 1 UNL11 0.2670 17 C -5.0387 -2.0732 -1.2600 C.3 1 UNL11 -0.0101 18 C -2.9192 0.2462 1.8865 C.3 1 UNL11 -0.0447 19 C -1.9709 0.8295 0.8852 C.2 1 UNL11 -0.0858 20 C -1.1539 0.0917 0.1210 C.2 1 UNL11 -0.0708 21 C -0.1771 0.6982 -0.8457 C.3 1 UNL11 -0.0141 22 C -1.1466 -1.3293 0.1577 C.1 1 UNL11 0.1351 23 C 2.1871 0.6808 -1.0544 C.2 1 UNL11 0.6090 24 C 5.8498 -0.0691 -0.3600 C.ar 1 UNL11 -0.0518 25 C 3.3951 0.1311 -0.4379 C.2 1 UNL11 -0.3034 26 C 4.6043 0.4280 -0.9374 C.2 1 UNL11 -0.0105 27 C 6.9733 0.7790 -0.3631 C.ar 1 UNL11 -0.2357 28 C 8.1651 0.3434 0.1908 C.ar 1 UNL11 0.1475 29 C 5.9347 -1.3478 0.1808 C.ar 1 UNL11 -0.1136 30 C 8.2416 -0.9650 0.7404 C.ar 1 UNL11 0.2080 31 C 7.1369 -1.8030 0.7318 C.ar 1 UNL11 -0.2670 32 C 9.3136 2.3524 -0.2903 C.3 1 UNL11 -0.2193 33 H -6.0362 0.4782 -2.1666 H 1 UNL11 0.1672 34 H -5.4248 2.1357 -0.3349 H 1 UNL11 0.1627 35 H -4.0325 -0.1832 -0.7436 H 1 UNL11 0.1490 36 H -6.4471 1.9620 1.9335 H 1 UNL11 0.1514 37 H -5.4260 -0.4165 2.6477 H 1 UNL11 0.1358 38 H -5.7363 -2.1096 -2.1217 H 1 UNL11 0.1687 39 H -5.3135 -2.8645 -0.5391 H 1 UNL11 0.1390 40 H -7.6635 -0.7045 -0.1808 H 1 UNL11 0.3428 41 H -8.2017 1.6644 -0.6423 H 1 UNL11 0.3393 42 H -7.8538 0.1517 2.3403 H 1 UNL11 0.3279 43 H -2.6077 0.4971 2.9231 H 1 UNL11 0.1490 44 H -3.0316 -0.8527 1.8083 H 1 UNL11 0.1553 45 H -3.1375 -2.6546 -1.1831 H 1 UNL11 0.3258 46 H -2.0015 1.9216 0.8187 H 1 UNL11 0.1782 47 H -0.1908 1.8045 -0.8537 H 1 UNL11 0.1526 48 H -0.3217 0.3309 -1.8829 H 1 UNL11 0.1606 49 H 6.8883 1.7729 -0.7948 H 1 UNL11 0.1688 50 H 4.7090 1.0833 -1.8135 H 1 UNL11 0.1706 51 H 3.2442 -0.5054 0.4350 H 1 UNL11 0.1894 52 H 5.0682 -2.0091 0.1708 H 1 UNL11 0.1645 53 H 7.1985 -2.8050 1.1478 H 1 UNL11 0.1652 54 H 9.4238 -2.2471 1.6141 H 1 UNL11 0.3210 55 H 10.3412 2.6898 -0.0922 H 1 UNL11 0.1581 56 H 8.5959 3.0012 0.2207 H 1 UNL11 0.1356 57 H 9.1277 2.3128 -1.3678 H 1 UNL11 0.1364 @BOND 1 1 14 1 2 1 16 1 3 2 12 1 4 2 40 1 5 3 13 1 6 3 41 1 7 4 16 1 8 4 18 1 9 5 15 1 10 5 42 1 11 6 17 1 12 6 45 1 13 7 21 1 14 7 23 1 15 8 28 1 16 8 32 1 17 9 23 2 18 10 30 1 19 10 54 1 20 11 22 3 21 12 13 1 22 12 33 1 23 13 15 1 24 13 34 1 25 14 12 1 26 14 17 1 27 14 35 1 28 15 16 1 29 15 36 1 30 16 37 1 31 17 38 1 32 17 39 1 33 18 19 1 34 18 43 1 35 18 44 1 36 19 20 2 37 19 46 1 38 20 21 1 39 20 22 1 40 21 47 1 41 21 48 1 42 23 25 1 43 24 26 1 44 24 27 ar 45 24 29 ar 46 25 26 2 47 25 51 1 48 26 50 1 49 27 28 ar 50 27 49 1 51 28 30 ar 52 29 31 ar 53 29 52 1 54 30 31 ar 55 31 53 1 56 32 55 1 57 32 56 1 58 32 57 1