@MOLECULE 4-aminophenyl 2-acetamido-2-deoxy-beta-d-glucopyranoside 42 43 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.3219 1.2912 -0.2283 O.3 1 UNL1111111111 -0.4582 2 O 4.0856 -0.3985 -0.1281 O.3 1 UNL1111111111 -0.5489 3 O -0.6346 -0.7275 -0.3552 O.3 1 UNL1111111111 -0.3203 4 O 3.7002 2.4046 0.2300 O.3 1 UNL1111111111 -0.5459 5 O -0.1042 4.0469 -0.0205 O.3 1 UNL1111111111 -0.5387 6 O 1.4102 -3.2385 -1.1825 O.2 1 UNL1111111111 -0.5183 7 N 1.7281 -2.0103 0.6908 N.am 1 UNL1111111111 -0.6226 8 N -6.0522 0.1726 0.2904 N.pl3 1 UNL1111111111 -0.6260 9 C 1.6636 -0.7492 -0.0321 C.3 1 UNL1111111111 -0.0336 10 C 2.8716 0.1379 0.3348 C.3 1 UNL1111111111 0.0583 11 C 2.7066 1.5439 -0.2786 C.3 1 UNL1111111111 0.0501 12 C 1.3685 2.1497 0.1840 C.3 1 UNL1111111111 0.0475 13 C 0.3459 -0.0049 0.3415 C.3 1 UNL1111111111 0.2774 14 C 1.0651 3.4654 -0.5502 C.3 1 UNL1111111111 -0.0085 15 C 1.5579 -3.2158 0.0184 C.2 1 UNL1111111111 0.6242 16 C -1.9475 -0.3949 -0.1358 C.ar 1 UNL1111111111 0.1603 17 C 1.5872 -4.4392 0.8882 C.3 1 UNL1111111111 -0.5301 18 C -2.4006 0.6990 0.5933 C.ar 1 UNL1111111111 -0.1965 19 C -2.8272 -1.2910 -0.7563 C.ar 1 UNL1111111111 -0.1536 20 C -3.7721 0.9028 0.7132 C.ar 1 UNL1111111111 -0.2343 21 C -4.1903 -1.0824 -0.6428 C.ar 1 UNL1111111111 -0.2228 22 C -4.6709 0.0157 0.0999 C.ar 1 UNL1111111111 0.1978 23 H 1.6446 -0.9499 -1.1461 H 1 UNL1111111111 0.2071 24 H 3.0367 0.2033 1.4357 H 1 UNL1111111111 0.1573 25 H 2.7948 1.5205 -1.3860 H 1 UNL1111111111 0.1443 26 H 1.3354 2.2922 1.2852 H 1 UNL1111111111 0.1473 27 H 0.1361 0.0452 1.4254 H 1 UNL1111111111 0.1207 28 H 0.9390 3.3100 -1.6369 H 1 UNL1111111111 0.1322 29 H 1.8550 4.2177 -0.3571 H 1 UNL1111111111 0.1616 30 H 1.8925 -1.9729 1.6818 H 1 UNL1111111111 0.3114 31 H 3.9700 -0.8947 -0.9663 H 1 UNL1111111111 0.3314 32 H 4.5754 1.9524 0.1972 H 1 UNL1111111111 0.3382 33 H -0.8614 3.4341 -0.1418 H 1 UNL1111111111 0.3241 34 H 1.5299 -5.3465 0.2633 H 1 UNL1111111111 0.1897 35 H 2.5077 -4.5113 1.4816 H 1 UNL1111111111 0.1722 36 H 0.7304 -4.4680 1.5752 H 1 UNL1111111111 0.1783 37 H -1.7084 1.4002 1.0541 H 1 UNL1111111111 0.1667 38 H -2.4255 -2.1318 -1.3231 H 1 UNL1111111111 0.1753 39 H -4.1447 1.7479 1.2849 H 1 UNL1111111111 0.1584 40 H -4.8887 -1.7672 -1.1161 H 1 UNL1111111111 0.1597 41 H -6.3726 1.0708 0.5984 H 1 UNL1111111111 0.2833 42 H -6.6609 -0.2705 -0.3675 H 1 UNL1111111111 0.2835 @BOND 1 1 12 1 2 1 13 1 3 2 10 1 4 2 31 1 5 3 13 1 6 3 16 1 7 4 11 1 8 4 32 1 9 5 14 1 10 5 33 1 11 6 15 2 12 7 9 1 13 7 15 am 14 7 30 1 15 8 22 1 16 8 41 1 17 8 42 1 18 9 10 1 19 9 13 1 20 9 23 1 21 10 11 1 22 10 24 1 23 11 12 1 24 11 25 1 25 12 14 1 26 12 26 1 27 13 27 1 28 14 28 1 29 14 29 1 30 15 17 1 31 16 18 ar 32 16 19 ar 33 17 34 1 34 17 35 1 35 17 36 1 36 18 20 ar 37 18 37 1 38 19 21 ar 39 19 38 1 40 20 22 ar 41 20 39 1 42 21 22 ar 43 21 40 1