REMARK  Name = BDB002112
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.091  -2.143  -0.322  0.00  0.00    -0.172 NA
ATOM      2  C   LIG    1        1.185  -1.447  -0.252  0.00  0.00    +0.176 A 
ATOM      3  C   LIG    1        2.496  -2.024   0.253  0.00  0.00    +0.217 A 
ATOM      4  O   LIG    1        2.734  -3.177   0.523  0.00  0.00    -0.285 OA
ATOM      5  C   LIG    1        3.419  -0.882   0.328  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        2.815   0.282  -0.158  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1        3.497   1.485  -0.207  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        4.815   1.500   0.259  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        5.422   0.328   0.751  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        4.724  -0.883   0.787  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        1.443   0.011  -0.616  0.00  0.00    +0.217 A 
ATOM     12  O   LIG    1        0.736   0.760  -1.249  0.00  0.00    -0.285 OA
ENDROOT
BRANCH   1  15
ATOM     13  O   LIG    1       -0.832  -0.076   1.290  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -1.498  -0.478   0.337  0.00  0.00    +0.263 C 
ATOM     15  N   LIG    1       -1.069  -1.452  -0.569  0.00  0.00    -0.202 N 
ATOM     16  H   LIG    1       -1.803  -2.023  -0.979  0.00  0.00    +0.178 HD
BRANCH  14  17
ATOM     17  C   LIG    1       -2.877   0.037   0.117  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1       -3.607   0.491   1.222  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1       -4.904   0.977   1.052  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -5.471   1.018  -0.222  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -4.742   0.584  -1.329  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -3.443   0.096  -1.163  0.00  0.00    +0.013 A 
ENDBRANCH  14  17
ENDBRANCH   1  15
TORSDOF 2