@MOLECULE phenylboronic acid 16 16 0 0 0 SMALL GASTEIGER @ATOM 1 B -1.6831 0.0004 0.0000 B 1 UNL1111111111 0.4870 2 O -2.3437 1.2256 -0.0001 O.3 1 UNL1111111111 -0.5643 3 O -2.3413 -1.2263 -0.0002 O.3 1 UNL1111111111 -0.5645 4 C 1.9595 1.2081 -0.0004 C.ar 1 UNL1111111111 -0.1755 5 C 2.6539 -0.0008 -0.0004 C.ar 1 UNL1111111111 -0.1340 6 C 1.9576 -1.2087 0.0003 C.ar 1 UNL1111111111 -0.1755 7 C 0.5629 -1.2096 -0.0000 C.ar 1 UNL1111111111 -0.1170 8 C -0.1280 0.0011 0.0003 C.ar 1 UNL1111111111 -0.0565 9 C 0.5648 1.2107 0.0006 C.ar 1 UNL1111111111 -0.1171 10 H -3.2948 1.2531 -0.0002 H 1 UNL1111111111 0.3309 11 H -3.2924 -1.2556 -0.0004 H 1 UNL1111111111 0.3309 12 H 2.5042 2.1486 -0.0010 H 1 UNL1111111111 0.1461 13 H 3.7415 -0.0017 -0.0009 H 1 UNL1111111111 0.1426 14 H 2.5012 -2.1498 0.0013 H 1 UNL1111111111 0.1461 15 H 0.0201 -2.1564 -0.0006 H 1 UNL1111111111 0.1605 16 H 0.0240 2.1587 0.0015 H 1 UNL1111111111 0.1604 @BOND 1 1 2 1 2 1 3 1 3 1 8 1 4 2 10 1 5 3 11 1 6 4 5 ar 7 4 9 ar 8 4 12 1 9 5 6 ar 10 5 13 1 11 6 7 ar 12 6 14 1 13 7 8 ar 14 7 15 1 15 8 9 ar 16 9 16 1