REMARK  Name = BDB051696
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.295   4.125   0.622  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1        1.504   3.224   0.435  0.00  0.00    +0.257 A 
ATOM      3  C   LIG    1        1.806   1.777   0.418  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1        0.616   1.120   0.170  0.00  0.00    +0.022 A 
ATOM      5  C   LIG    1        0.447  -0.260   0.081  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1        1.670  -0.946   0.275  0.00  0.00    +0.175 A 
ATOM      7  O   LIG    1        1.846  -2.299   0.248  0.00  0.00    -0.452 OA
ATOM      8  C   LIG    1        3.259  -2.418   0.503  0.00  0.00    +0.466 C 
ATOM      9  O   LIG    1        3.919  -1.151   0.676  0.00  0.00    -0.453 OA
ATOM     10  C   LIG    1        2.877  -0.287   0.523  0.00  0.00    +0.168 A 
ATOM     11  C   LIG    1       -0.900  -0.711  -0.179  0.00  0.00    -0.003 A 
ATOM     12  C   LIG    1       -1.958   0.254  -0.344  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1       -3.260  -0.224  -0.612  0.00  0.00    +0.125 A 
ATOM     14  C   LIG    1       -3.551  -1.583  -0.674  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1       -2.535  -2.512  -0.505  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -1.676   1.641  -0.218  0.00  0.00    +0.038 A 
ATOM     17  C   LIG    1       -1.229  -2.080  -0.270  0.00  0.00    +0.009 A 
ATOM     18  C   LIG    1       -0.384   2.036   0.034  0.00  0.00    +0.051 A 
ATOM     19  C   LIG    1        2.986   1.091   0.604  0.00  0.00    +0.063 A 
ATOM     20  N   LIG    1        0.142   3.314   0.194  0.00  0.00    -0.322 N 
ATOM     21  H   LIG    1       -0.361   4.187   0.152  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  13  22
ATOM     22  O   LIG    1       -4.324   0.610  -0.839  0.00  0.00    -0.506 OA
ATOM     23  H   LIG    1       -3.996   1.401  -1.297  0.00  0.00    +0.292 HD
ENDBRANCH  13  22
TORSDOF 1