@MOLECULE 2-(beta-d-glucopyranosyloxy)benzoic acid 37 38 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.6241 0.5851 0.0831 O.3 1 UNL1111111111 -0.4257 2 O 0.5974 -1.2331 -0.3981 O.3 1 UNL1111111111 -0.3027 3 O -4.0080 -1.6329 0.3384 O.3 1 UNL1111111111 -0.5202 4 O -4.1949 1.2661 0.2265 O.3 1 UNL1111111111 -0.5401 5 O -1.7295 -2.6862 -1.0705 O.3 1 UNL1111111111 -0.4967 6 O -0.5007 3.3791 0.1477 O.3 1 UNL1111111111 -0.5355 7 O 3.5882 -0.8293 2.3202 O.3 1 UNL1111111111 -0.5738 8 O 1.3649 -0.7855 2.2737 O.2 1 UNL1111111111 -0.4652 9 C -3.0811 -0.7967 -0.3141 C.3 1 UNL1111111111 0.0280 10 C -2.9940 0.5617 0.4098 C.3 1 UNL1111111111 0.0421 11 C -1.7359 -1.5495 -0.2543 C.3 1 UNL1111111111 0.0783 12 C -1.7889 1.3687 -0.1075 C.3 1 UNL1111111111 0.0052 13 C -0.6195 -0.5860 -0.7270 C.3 1 UNL1111111111 0.2395 14 C -1.5350 2.6256 0.7383 C.3 1 UNL1111111111 -0.0112 15 C 1.7084 -0.4840 -0.7166 C.ar 1 UNL1111111111 0.2856 16 C 2.6464 -0.2384 0.2872 C.ar 1 UNL1111111111 -0.2155 17 C 1.9414 -0.0802 -2.0369 C.ar 1 UNL1111111111 -0.2766 18 C 3.8415 0.4127 -0.0435 C.ar 1 UNL1111111111 -0.0312 19 C 3.1231 0.5776 -2.3481 C.ar 1 UNL1111111111 -0.0555 20 C 4.0719 0.8276 -1.3517 C.ar 1 UNL1111111111 -0.2198 21 C 2.3954 -0.6401 1.6755 C.2 1 UNL1111111111 0.6548 22 H -3.4330 -0.6770 -1.3647 H 1 UNL1111111111 0.1204 23 H -2.9562 0.4230 1.5181 H 1 UNL1111111111 0.1830 24 H -1.5232 -1.9630 0.7640 H 1 UNL1111111111 0.2035 25 H -1.8915 1.6368 -1.1802 H 1 UNL1111111111 0.1328 26 H -0.6722 -0.3129 -1.7979 H 1 UNL1111111111 0.1148 27 H -1.2630 2.3772 1.7808 H 1 UNL1111111111 0.1413 28 H -2.4096 3.3048 0.7201 H 1 UNL1111111111 0.1553 29 H -4.7994 -1.1117 0.6097 H 1 UNL1111111111 0.3272 30 H -4.3337 1.5246 -0.7072 H 1 UNL1111111111 0.3159 31 H -2.2502 -2.5585 -1.8901 H 1 UNL1111111111 0.3051 32 H 0.3290 2.8474 0.1682 H 1 UNL1111111111 0.3259 33 H 1.2121 -0.2995 -2.8118 H 1 UNL1111111111 0.1669 34 H 4.5912 0.5954 0.7322 H 1 UNL1111111111 0.1763 35 H 3.3154 0.8981 -3.3725 H 1 UNL1111111111 0.1524 36 H 4.9965 1.3426 -1.6024 H 1 UNL1111111111 0.1616 37 H 3.4801 -1.1068 3.2609 H 1 UNL1111111111 0.3538 @BOND 1 1 12 1 2 1 13 1 3 2 13 1 4 2 15 1 5 3 9 1 6 3 29 1 7 4 10 1 8 4 30 1 9 5 11 1 10 5 31 1 11 6 14 1 12 6 32 1 13 7 21 1 14 7 37 1 15 8 21 2 16 9 10 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 14 1 24 12 25 1 25 13 26 1 26 14 27 1 27 14 28 1 28 15 16 ar 29 15 17 ar 30 16 18 ar 31 16 21 1 32 17 19 ar 33 17 33 1 34 18 20 ar 35 18 34 1 36 19 20 ar 37 19 35 1 38 20 36 1