@MOLECULE 4-nitrophenyl 2-acetamido-2-deoxy-beta-d-glucopyranoside 42 43 0 0 0 SMALL USER_CHARGES @ATOM 1 O 0.6925 -1.1767 0.0906 O.3 1 UNL1111111 -0.4647 2 O 4.6557 -0.1085 0.4403 O.3 1 UNL1111111 -0.5399 3 O 0.0547 0.9763 0.0403 O.3 1 UNL1111111 -0.3193 4 O 3.8675 -2.8413 0.0365 O.3 1 UNL1111111 -0.5399 5 O -0.1628 -3.8274 -0.1329 O.3 1 UNL1111111 -0.5307 6 O 2.1009 3.1364 1.0322 O.2 1 UNL1111111 -0.5129 7 O -5.8839 -0.8200 -0.6775 O.2 1 UNL1111111 -0.4123 8 O -6.1011 0.8142 0.7040 O.2 1 UNL1111111 -0.4112 9 N 2.7133 1.8192 -0.6980 N.am 1 UNL1111111 -0.6260 10 N -5.4190 0.0798 0.0056 N.pl3 1 UNL1111111 0.6405 11 C 2.3597 0.6077 0.0232 C.3 1 UNL1111111 -0.0321 12 C 3.4438 -0.4742 -0.1665 C.3 1 UNL1111111 0.0564 13 C 2.9802 -1.8204 0.4305 C.3 1 UNL1111111 0.0462 14 C 1.6209 -2.2157 -0.1744 C.3 1 UNL1111111 0.0537 15 C 0.9979 0.0659 -0.5014 C.3 1 UNL1111111 0.2774 16 C 1.0056 -3.4276 0.5432 C.3 1 UNL1111111 -0.0097 17 C 2.5440 3.0614 -0.0911 C.2 1 UNL1111111 0.6214 18 C -1.2601 0.6535 -0.0267 C.ar 1 UNL1111111 0.3159 19 C 2.9364 4.2416 -0.9299 C.3 1 UNL1111111 -0.5283 20 C -1.8067 -0.3790 -0.7956 C.ar 1 UNL1111111 -0.3109 21 C -2.0618 1.5117 0.7490 C.ar 1 UNL1111111 -0.2644 22 C -3.1832 -0.5611 -0.7847 C.ar 1 UNL1111111 -0.0178 23 C -3.4316 1.3211 0.7553 C.ar 1 UNL1111111 -0.0170 24 C -3.9860 0.2830 -0.0106 C.ar 1 UNL1111111 -0.1578 25 H 2.2335 0.8474 1.1230 H 1 UNL1111111 0.2061 26 H 3.7433 -0.5977 -1.2347 H 1 UNL1111111 0.1619 27 H 2.9519 -1.7854 1.5411 H 1 UNL1111111 0.1446 28 H 1.6887 -2.3937 -1.2696 H 1 UNL1111111 0.1517 29 H 0.9020 0.0130 -1.6019 H 1 UNL1111111 0.1280 30 H 0.7704 -3.2083 1.5998 H 1 UNL1111111 0.1333 31 H 1.6753 -4.3088 0.4729 H 1 UNL1111111 0.1662 32 H 3.1399 1.7216 -1.6023 H 1 UNL1111111 0.3141 33 H 4.5181 0.3027 1.3210 H 1 UNL1111111 0.3284 34 H 4.7976 -2.5480 0.1835 H 1 UNL1111111 0.3386 35 H -0.8404 -3.1174 -0.0789 H 1 UNL1111111 0.3216 36 H 2.7683 5.1760 -0.3662 H 1 UNL1111111 0.1925 37 H 3.9982 4.2190 -1.2085 H 1 UNL1111111 0.1756 38 H 2.3396 4.3098 -1.8498 H 1 UNL1111111 0.1778 39 H -1.1750 -1.0379 -1.3859 H 1 UNL1111111 0.1795 40 H -1.5900 2.3030 1.3329 H 1 UNL1111111 0.1917 41 H -3.6418 -1.3621 -1.3767 H 1 UNL1111111 0.1847 42 H -4.0837 1.9678 1.3546 H 1 UNL1111111 0.1871 @BOND 1 38 19 1 2 32 9 1 3 29 15 1 4 39 20 1 5 41 22 1 6 28 14 1 7 26 12 1 8 37 19 1 9 19 36 1 10 19 17 1 11 20 22 ar 12 20 18 ar 13 22 24 ar 14 9 17 am 15 9 11 1 16 7 10 2 17 15 11 1 18 15 3 1 19 15 1 1 20 14 1 1 21 14 13 1 22 14 16 1 23 12 11 1 24 12 13 1 25 12 2 1 26 5 35 1 27 5 16 1 28 17 6 2 29 18 3 1 30 18 21 ar 31 24 10 1 32 24 23 ar 33 10 8 2 34 11 25 1 35 4 34 1 36 4 13 1 37 13 27 1 38 2 33 1 39 31 16 1 40 16 30 1 41 21 23 ar 42 21 40 1 43 23 42 1