@MOLECULE 4-aminophenyl beta-d-glucopyranoside 36 37 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.4995 0.4943 -0.1511 O.3 1 UNL1111111111 -0.4616 2 O 4.0654 -1.3129 -0.6631 O.3 1 UNL1111111111 -0.5579 3 O 3.9757 1.4992 0.1623 O.3 1 UNL1111111111 -0.5427 4 O -0.5003 -1.4857 -0.4921 O.3 1 UNL1111111111 -0.3436 5 O 1.8527 -2.7043 0.7208 O.3 1 UNL1111111111 -0.5456 6 O 0.2674 3.2647 0.7438 O.3 1 UNL1111111111 -0.5404 7 N -5.5434 0.6947 0.1775 N.pl3 1 UNL1111111111 -0.6269 8 C 3.0611 -0.7264 0.1408 C.3 1 UNL1111111111 0.0418 9 C 2.8664 0.7462 -0.2562 C.3 1 UNL1111111111 0.0390 10 C 1.8088 -1.5819 -0.1357 C.3 1 UNL1111111111 0.0654 11 C 1.5596 1.2751 0.3588 C.3 1 UNL1111111111 0.0180 12 C 0.5055 -0.8623 0.2756 C.3 1 UNL1111111111 0.2891 13 C 1.2285 2.6979 -0.1152 C.3 1 UNL1111111111 -0.0120 14 C -1.7447 -0.9118 -0.3008 C.ar 1 UNL1111111111 0.1065 15 C -2.6198 -1.5150 0.6010 C.ar 1 UNL1111111111 -0.1214 16 C -2.1126 0.1871 -1.0766 C.ar 1 UNL1111111111 -0.1049 17 C -3.9030 -1.0024 0.7356 C.ar 1 UNL1111111111 -0.2727 18 C -3.3938 0.7030 -0.9428 C.ar 1 UNL1111111111 -0.2822 19 C -4.2905 0.1160 -0.0273 C.ar 1 UNL1111111111 0.2444 20 H 3.3820 -0.8284 1.2035 H 1 UNL1111111111 0.1420 21 H 2.8873 0.8725 -1.3649 H 1 UNL1111111111 0.1758 22 H 1.7717 -1.9155 -1.1987 H 1 UNL1111111111 0.1678 23 H 1.5669 1.2245 1.4702 H 1 UNL1111111111 0.1406 24 H 0.2773 -0.9150 1.3589 H 1 UNL1111111111 0.1361 25 H 0.8512 2.7062 -1.1542 H 1 UNL1111111111 0.1357 26 H 2.1013 3.3726 -0.0229 H 1 UNL1111111111 0.1575 27 H 4.8332 -0.7040 -0.7401 H 1 UNL1111111111 0.3351 28 H 4.0239 1.5685 1.1382 H 1 UNL1111111111 0.3187 29 H 2.5703 -3.3120 0.4381 H 1 UNL1111111111 0.3340 30 H -0.5624 2.7391 0.7124 H 1 UNL1111111111 0.3269 31 H -2.2935 -2.3769 1.1808 H 1 UNL1111111111 0.1674 32 H -1.3938 0.6246 -1.7697 H 1 UNL1111111111 0.1717 33 H -4.6002 -1.4561 1.4337 H 1 UNL1111111111 0.1600 34 H -3.7012 1.5602 -1.5329 H 1 UNL1111111111 0.1600 35 H -5.8949 1.3251 -0.5120 H 1 UNL1111111111 0.2897 36 H -6.2408 0.1653 0.6560 H 1 UNL1111111111 0.2887 @BOND 1 1 11 1 2 1 12 1 3 2 8 1 4 2 27 1 5 3 9 1 6 3 28 1 7 4 12 1 8 4 14 1 9 5 10 1 10 5 29 1 11 6 13 1 12 6 30 1 13 7 19 1 14 7 35 1 15 7 36 1 16 8 9 1 17 8 10 1 18 8 20 1 19 9 11 1 20 9 21 1 21 10 12 1 22 10 22 1 23 11 13 1 24 11 23 1 25 12 24 1 26 13 25 1 27 13 26 1 28 14 15 ar 29 14 16 ar 30 15 17 ar 31 15 31 1 32 16 18 ar 33 16 32 1 34 17 19 ar 35 17 33 1 36 18 19 ar 37 18 34 1