@MOLECULE 4-formylphenyl alpha-d-glucopyranoside 36 37 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.0154 0.6271 -1.1829 O.3 1 UNL1111111111 -0.4412 2 O 4.3871 -0.8892 0.5254 O.3 1 UNL1111111111 -0.5625 3 O 3.2163 1.5261 1.5176 O.3 1 UNL1111111111 -0.5427 4 O 0.2180 -1.2205 -0.0309 O.3 1 UNL1111111111 -0.4360 5 O 2.3776 -2.7088 -0.6077 O.3 1 UNL1111111111 -0.5291 6 O -0.0531 3.1771 -0.1782 O.3 1 UNL1111111111 -0.5309 7 O -5.8711 0.4923 -0.2930 O.2 1 UNL1111111111 -0.4362 8 C 3.0012 -0.6287 0.4394 C.3 1 UNL1111111111 0.0460 9 C 2.9051 0.9036 0.2920 C.3 1 UNL1111111111 0.0789 10 C 2.4152 -1.3220 -0.8019 C.3 1 UNL1111111111 0.0320 11 C 1.4437 1.2950 0.0063 C.3 1 UNL1111111111 0.0387 12 C 1.0095 -0.7608 -1.1198 C.3 1 UNL1111111111 0.2734 13 C 1.2900 2.7800 -0.3349 C.3 1 UNL1111111111 -0.0160 14 C -1.0975 -0.8834 0.0189 C.ar 1 UNL1111111111 0.3189 15 C -1.7224 -1.3084 1.2024 C.ar 1 UNL1111111111 -0.2719 16 C -1.7845 -0.1927 -0.9794 C.ar 1 UNL1111111111 -0.3185 17 C -3.0695 -1.0297 1.3744 C.ar 1 UNL1111111111 -0.0373 18 C -3.1385 0.0688 -0.7869 C.ar 1 UNL1111111111 -0.0020 19 C -3.7806 -0.3443 0.3825 C.ar 1 UNL1111111111 -0.2393 20 C -5.2152 -0.0521 0.5642 C.2 1 UNL1111111111 0.3499 21 H 2.5224 -0.9816 1.3801 H 1 UNL1111111111 0.1512 22 H 3.6095 1.2760 -0.4849 H 1 UNL1111111111 0.1480 23 H 3.0892 -1.2073 -1.6861 H 1 UNL1111111111 0.1768 24 H 0.7746 1.0117 0.8516 H 1 UNL1111111111 0.1665 25 H 0.5851 -1.0889 -2.0915 H 1 UNL1111111111 0.1577 26 H 1.6222 3.0081 -1.3636 H 1 UNL1111111111 0.1326 27 H 1.8355 3.4133 0.3962 H 1 UNL1111111111 0.1706 28 H 4.5552 -1.8522 0.4169 H 1 UNL1111111111 0.3390 29 H 4.0791 1.1845 1.8492 H 1 UNL1111111111 0.3390 30 H 1.6706 -2.9579 0.0317 H 1 UNL1111111111 0.3334 31 H -0.6387 2.6127 -0.7265 H 1 UNL1111111111 0.3178 32 H -1.1498 -1.8383 1.9587 H 1 UNL1111111111 0.1756 33 H -1.2873 0.1442 -1.8844 H 1 UNL1111111111 0.1781 34 H -3.5739 -1.3475 2.2887 H 1 UNL1111111111 0.1538 35 H -3.7118 0.6039 -1.5523 H 1 UNL1111111111 0.1754 36 H -5.6804 -0.3474 1.5144 H 1 UNL1111111111 0.1102 @BOND 1 1 11 1 2 1 12 1 3 2 8 1 4 2 28 1 5 3 9 1 6 3 29 1 7 4 12 1 8 4 14 1 9 5 10 1 10 5 30 1 11 6 13 1 12 6 31 1 13 7 20 2 14 8 9 1 15 8 10 1 16 8 21 1 17 9 11 1 18 9 22 1 19 10 12 1 20 10 23 1 21 11 13 1 22 11 24 1 23 12 25 1 24 13 26 1 25 13 27 1 26 14 15 ar 27 14 16 ar 28 15 17 ar 29 15 32 1 30 16 18 ar 31 16 33 1 32 17 19 ar 33 17 34 1 34 18 19 ar 35 18 35 1 36 19 20 1 37 20 36 1