@MOLECULE 2-(hydroxymethyl)phenyl 6-o-benzoylhexopyranoside 50 52 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.0959 0.2367 -0.2128 O.3 1 UNL1111111111 -0.4638 2 O 3.5066 2.8890 0.0897 O.3 1 UNL1111111111 -0.5601 3 O 1.1921 -1.8616 -1.0695 O.3 1 UNL1111111111 -0.3693 4 O 5.1957 0.5877 -0.4359 O.3 1 UNL1111111111 -0.5473 5 O 3.4834 -1.3686 0.2614 O.3 1 UNL1111111111 -0.5849 6 O -0.5652 2.2506 0.6175 O.3 1 UNL1111111111 -0.4102 7 O -0.9589 0.3650 1.7882 O.2 1 UNL1111111111 -0.5162 8 O 1.3173 -1.5945 1.8271 O.3 1 UNL1111111111 -0.5801 9 C 3.0958 1.5411 0.1779 C.3 1 UNL1111111111 0.0510 10 C 3.8584 0.6878 -0.8538 C.3 1 UNL1111111111 0.0468 11 C 1.5904 1.5650 -0.1533 C.3 1 UNL1111111111 0.0638 12 C 3.2194 -0.7175 -0.9449 C.3 1 UNL1111111111 0.0531 13 C 1.7076 -0.5578 -1.2189 C.3 1 UNL1111111111 0.2602 14 C 0.8061 2.2145 0.9915 C.3 1 UNL1111111111 -0.0406 15 C -0.1504 -1.9312 -0.7752 C.ar 1 UNL1111111111 0.2419 16 C -0.4914 -2.4650 0.4719 C.ar 1 UNL1111111111 -0.1256 17 C -1.1026 -1.6045 -1.7388 C.ar 1 UNL1111111111 -0.2395 18 C -1.3355 1.1979 1.0018 C.2 1 UNL1111111111 0.6226 19 C -1.8401 -2.6987 0.7351 C.ar 1 UNL1111111111 -0.1020 20 C 0.5673 -2.7525 1.4908 C.3 1 UNL1111111111 0.0272 21 C -2.4429 -1.8486 -1.4507 C.ar 1 UNL1111111111 -0.1069 22 C -2.6683 1.2772 0.3799 C.ar 1 UNL1111111111 -0.1429 23 C -2.8087 -2.3974 -0.2221 C.ar 1 UNL1111111111 -0.1868 24 C -3.7266 0.6163 1.0070 C.ar 1 UNL1111111111 -0.0742 25 C -2.8614 1.9564 -0.8233 C.ar 1 UNL1111111111 -0.0748 26 C -4.9900 0.6379 0.4220 C.ar 1 UNL1111111111 -0.1754 27 C -4.1270 1.9695 -1.4051 C.ar 1 UNL1111111111 -0.1792 28 C -5.1878 1.3120 -0.7827 C.ar 1 UNL1111111111 -0.1024 29 H 3.2923 1.1799 1.2126 H 1 UNL1111111111 0.1517 30 H 3.9275 1.1932 -1.8411 H 1 UNL1111111111 0.1529 31 H 1.3875 2.0745 -1.1212 H 1 UNL1111111111 0.1488 32 H 3.7140 -1.3472 -1.7191 H 1 UNL1111111111 0.1627 33 H 1.4448 -0.1565 -2.2172 H 1 UNL1111111111 0.1224 34 H 1.0726 3.2861 1.1004 H 1 UNL1111111111 0.1722 35 H 0.9457 1.6903 1.9552 H 1 UNL1111111111 0.1595 36 H 4.4904 2.9278 0.0554 H 1 UNL1111111111 0.3413 37 H 5.2764 -0.1307 0.2423 H 1 UNL1111111111 0.3469 38 H 2.6628 -1.4360 0.8422 H 1 UNL1111111111 0.3829 39 H -0.8020 -1.1821 -2.6919 H 1 UNL1111111111 0.1639 40 H -2.1413 -3.1094 1.6991 H 1 UNL1111111111 0.1587 41 H 1.3296 -3.4646 1.1100 H 1 UNL1111111111 0.1520 42 H 0.1509 -3.1283 2.4463 H 1 UNL1111111111 0.1332 43 H -3.2072 -1.6087 -2.1881 H 1 UNL1111111111 0.1507 44 H -3.8581 -2.5849 -0.0060 H 1 UNL1111111111 0.1538 45 H -3.5541 0.0814 1.9442 H 1 UNL1111111111 0.1719 46 H -2.0264 2.4696 -1.3036 H 1 UNL1111111111 0.1682 47 H 0.7871 -0.7748 1.6556 H 1 UNL1111111111 0.3633 48 H -5.8210 0.1275 0.9045 H 1 UNL1111111111 0.1554 49 H -4.2871 2.4939 -2.3448 H 1 UNL1111111111 0.1548 50 H -6.1761 1.3250 -1.2403 H 1 UNL1111111111 0.1482 @BOND 1 1 11 1 2 1 13 1 3 2 9 1 4 2 36 1 5 3 13 1 6 3 15 1 7 4 10 1 8 4 37 1 9 5 12 1 10 5 38 1 11 6 14 1 12 6 18 1 13 7 18 2 14 8 20 1 15 8 47 1 16 9 10 1 17 9 11 1 18 9 29 1 19 10 12 1 20 10 30 1 21 11 14 1 22 11 31 1 23 12 13 1 24 12 32 1 25 13 33 1 26 14 34 1 27 14 35 1 28 15 16 ar 29 15 17 ar 30 16 19 ar 31 16 20 1 32 17 21 ar 33 17 39 1 34 18 22 1 35 19 23 ar 36 19 40 1 37 20 41 1 38 20 42 1 39 21 23 ar 40 21 43 1 41 22 24 ar 42 22 25 ar 43 23 44 1 44 24 26 ar 45 24 45 1 46 25 27 ar 47 25 46 1 48 26 28 ar 49 26 48 1 50 27 28 ar 51 27 49 1 52 28 50 1