@MOLECULE 4-nitrophenyl alpha-l-arabinofuranoside 32 33 0 0 0 SMALL USER_CHARGES @ATOM 1 O -2.2501 3.3179 0.3585 O.3 1 UNL111 -0.5252 2 C -3.1583 2.2978 0.0137 C.3 1 UNL111 -0.0277 3 C -2.5952 0.9362 0.4227 C.3 1 UNL111 0.0407 4 O -1.6268 0.6187 -0.5876 O.3 1 UNL111 -0.4346 5 C -1.5878 -0.7545 -0.8290 C.3 1 UNL111 0.2721 6 C -2.8913 -1.3868 -0.2836 C.3 1 UNL111 0.0359 7 O -3.7043 -1.7887 -1.3555 O.3 1 UNL111 -0.5395 8 C -3.6308 -0.2076 0.3986 C.3 1 UNL111 0.0844 9 O -3.8923 -0.5101 1.7455 O.3 1 UNL111 -0.5347 10 O -0.5712 -1.3629 -0.0340 O.3 1 UNL111 -0.4090 11 C 0.6842 -0.8670 -0.0737 C.ar 1 UNL111 0.3393 12 C 1.5371 -1.4604 0.8766 C.ar 1 UNL111 -0.2726 13 C 2.8627 -1.0685 0.9211 C.ar 1 UNL111 -0.0175 14 C 3.3248 -0.0952 0.0217 C.ar 1 UNL111 -0.1632 15 N 4.7138 0.3087 0.0678 N.pl3 1 UNL111 0.6409 16 O 5.4395 -0.2059 0.9048 O.2 1 UNL111 -0.4110 17 O 5.1009 1.1451 -0.7342 O.2 1 UNL111 -0.4123 18 C 2.4701 0.4940 -0.9166 C.ar 1 UNL111 -0.0079 19 C 1.1369 0.1095 -0.9675 C.ar 1 UNL111 -0.3101 20 H -1.3820 3.1587 -0.0717 H 1 UNL111 0.3210 21 H -4.0653 2.5567 0.5953 H 1 UNL111 0.1575 22 H -3.3738 2.3483 -1.0698 H 1 UNL111 0.1349 23 H -2.0596 0.9833 1.3998 H 1 UNL111 0.1780 24 H -1.3691 -0.8872 -1.9038 H 1 UNL111 0.1540 25 H -2.7019 -2.2279 0.4162 H 1 UNL111 0.1641 26 H -3.4408 -2.6719 -1.6903 H 1 UNL111 0.3277 27 H -4.5726 0.0447 -0.1313 H 1 UNL111 0.1527 28 H -4.6593 -1.1160 1.8253 H 1 UNL111 0.3255 29 H 1.1417 -2.2095 1.5601 H 1 UNL111 0.1836 30 H 3.5514 -1.5083 1.6519 H 1 UNL111 0.1855 31 H 2.8546 1.2555 -1.6055 H 1 UNL111 0.1848 32 H 0.4637 0.5754 -1.6832 H 1 UNL111 0.1826 @BOND 1 24 5 1 2 26 7 1 3 32 19 1 4 31 18 1 5 7 6 1 6 22 2 1 7 19 18 ar 8 19 11 ar 9 18 14 ar 10 5 4 1 11 5 6 1 12 5 10 1 13 17 15 2 14 4 3 1 15 6 8 1 16 6 25 1 17 27 8 1 18 11 10 1 19 11 12 ar 20 20 1 1 21 2 1 1 22 2 3 1 23 2 21 1 24 14 15 1 25 14 13 ar 26 15 16 2 27 8 3 1 28 8 9 1 29 3 23 1 30 12 13 ar 31 12 29 1 32 13 30 1 33 9 28 1