@MOLECULE 3-nitrophenylboronic acid 18 18 0 0 0 SMALL GASTEIGER @ATOM 1 B 2.5345 0.5075 -0.0001 B 1 UNL1111 0.5077 2 O 3.6818 -0.2770 -0.0047 O.3 1 UNL1111 -0.5724 3 O 2.5330 1.8938 0.0025 O.3 1 UNL1111 -0.5576 4 C 1.1594 -0.2242 0.0018 C.ar 1 UNL1111 -0.0792 5 C -0.0191 0.5167 0.0014 C.ar 1 UNL1111 -0.0553 6 C -1.2384 -0.1683 0.0005 C.ar 1 UNL1111 -0.1046 7 N -2.4811 0.5845 -0.0007 N.pl3 1 UNL1111 0.6251 8 O -3.5328 -0.0378 -0.0021 O.2 1 UNL1111 -0.4118 9 O -2.4230 1.8037 -0.0004 O.2 1 UNL1111 -0.3995 10 C -1.2911 -1.5666 0.0003 C.ar 1 UNL1111 -0.0743 11 C -0.1021 -2.2877 0.0013 C.ar 1 UNL1111 -0.1927 12 C 1.1235 -1.6178 0.0019 C.ar 1 UNL1111 -0.0660 13 H 4.5448 0.1235 -0.0068 H 1 UNL1111 0.3381 14 H 3.3508 2.3815 0.0013 H 1 UNL1111 0.3372 15 H -0.0007 1.6149 0.0019 H 1 UNL1111 0.1963 16 H -2.2569 -2.0809 -0.0008 H 1 UNL1111 0.1808 17 H -0.1260 -3.3761 0.0015 H 1 UNL1111 0.1606 18 H 2.0539 -2.1936 0.0026 H 1 UNL1111 0.1674 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 2 13 1 5 3 14 1 6 4 5 ar 7 4 12 ar 8 5 6 ar 9 5 15 1 10 6 7 1 11 6 10 ar 12 7 8 2 13 7 9 2 14 10 11 ar 15 10 16 1 16 11 12 ar 17 11 17 1 18 12 18 1