@MOLECULE phenyl beta-d-glucopyranoside 34 35 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.2617 -0.1508 1.1860 O.3 1 UNL1111111111 -0.4129 2 O -3.4261 1.3726 -0.9442 O.3 1 UNL1111111111 -0.5701 3 O -2.7593 -1.3964 -1.1585 O.3 1 UNL1111111111 -0.5826 4 O 0.7875 1.2691 -0.3119 O.3 1 UNL1111111111 -0.4271 5 O -2.1995 2.0958 1.3101 O.3 1 UNL1111111111 -0.5416 6 O -1.3335 -3.3646 0.0212 O.3 1 UNL1111111111 -0.5506 7 C -2.1284 0.8331 -0.7807 C.3 1 UNL1111111111 0.0743 8 C -2.2183 -0.5681 -0.1540 C.3 1 UNL1111111111 0.0613 9 C -1.4122 1.8044 0.1771 C.3 1 UNL1111111111 0.0646 10 C -0.8004 -1.0396 0.2205 C.3 1 UNL1111111111 0.0072 11 C -0.1285 1.1726 0.7697 C.3 1 UNL1111111111 0.2971 12 C -0.8281 -2.4039 0.9300 C.3 1 UNL1111111111 -0.0235 13 C 2.0132 0.6866 -0.1904 C.ar 1 UNL1111111111 0.2761 14 C 2.5656 0.2234 1.0022 C.ar 1 UNL1111111111 -0.2749 15 C 2.7023 0.6107 -1.4090 C.ar 1 UNL1111111111 -0.2477 16 C 3.8457 -0.3269 0.9676 C.ar 1 UNL1111111111 -0.0868 17 C 3.9779 0.0614 -1.4146 C.ar 1 UNL1111111111 -0.0912 18 C 4.5507 -0.4093 -0.2309 C.ar 1 UNL1111111111 -0.2181 19 H -1.6394 0.8023 -1.7809 H 1 UNL1111111111 0.1532 20 H -2.9073 -0.5801 0.7195 H 1 UNL1111111111 0.1513 21 H -1.1832 2.7707 -0.3311 H 1 UNL1111111111 0.1588 22 H -0.1362 -1.0639 -0.6723 H 1 UNL1111111111 0.1484 23 H 0.2452 1.6887 1.6811 H 1 UNL1111111111 0.1640 24 H -1.5497 -2.4310 1.7687 H 1 UNL1111111111 0.1610 25 H 0.1691 -2.6968 1.2994 H 1 UNL1111111111 0.1368 26 H -4.0095 0.6972 -1.3612 H 1 UNL1111111111 0.3475 27 H -2.5719 -2.3421 -0.9373 H 1 UNL1111111111 0.3552 28 H -3.1490 2.1447 1.0396 H 1 UNL1111111111 0.3471 29 H -0.6481 -3.6246 -0.6303 H 1 UNL1111111111 0.3239 30 H 2.0188 0.2757 1.9393 H 1 UNL1111111111 0.1743 31 H 2.2387 0.9830 -2.3185 H 1 UNL1111111111 0.1727 32 H 4.2969 -0.6953 1.8884 H 1 UNL1111111111 0.1488 33 H 4.5353 -0.0025 -2.3486 H 1 UNL1111111111 0.1495 34 H 5.5488 -0.8390 -0.2461 H 1 UNL1111111111 0.1539 @BOND 1 1 10 1 2 1 11 1 3 2 7 1 4 2 26 1 5 3 8 1 6 3 27 1 7 4 11 1 8 4 13 1 9 5 9 1 10 5 28 1 11 6 12 1 12 6 29 1 13 7 8 1 14 7 9 1 15 7 19 1 16 8 10 1 17 8 20 1 18 9 11 1 19 9 21 1 20 10 12 1 21 10 22 1 22 11 23 1 23 12 24 1 24 12 25 1 25 13 14 ar 26 13 15 ar 27 14 16 ar 28 14 30 1 29 15 17 ar 30 15 31 1 31 16 18 ar 32 16 32 1 33 17 18 ar 34 17 33 1 35 18 34 1