REMARK  Name = BDB031314
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.919  -0.256  -0.216  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        1.665   0.695   0.508  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1        3.040   0.630   0.432  0.00  0.00    +0.069 A 
ATOM      4  C   LIG    1        3.700  -0.329  -0.326  0.00  0.00    +0.067 A 
ATOM      5  N   LIG    1        5.067  -0.121  -0.190  0.00  0.00    -0.306 N 
ATOM      6  H   LIG    1        5.811  -0.650  -0.615  0.00  0.00    +0.170 HD
ATOM      7  C   LIG    1        5.273   0.976   0.657  0.00  0.00    +0.325 A 
ATOM      8  O   LIG    1        6.344   1.443   1.000  0.00  0.00    -0.247 OA
ATOM      9  C   LIG    1        3.019  -1.274  -1.046  0.00  0.00    +0.029 A 
ATOM     10  N   LIG    1        4.002   1.433   1.037  0.00  0.00    -0.306 N 
ATOM     11  H   LIG    1        3.853   2.218   1.649  0.00  0.00    +0.170 HD
ATOM     12  C   LIG    1        1.617  -1.228  -0.984  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  15
ATOM     13  O   LIG    1       -1.163  -2.049  -1.569  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1       -1.377  -1.105  -0.832  0.00  0.00    +0.251 C 
ATOM     15  N   LIG    1       -0.504  -0.232  -0.171  0.00  0.00    -0.263 N 
ATOM     16  C   LIG    1       -1.240   0.756   0.610  0.00  0.00    +0.150 C 
ATOM     17  C   LIG    1       -2.667   0.406   0.366  0.00  0.00    -0.017 A 
ATOM     18  C   LIG    1       -3.822   1.000   0.849  0.00  0.00    +0.021 A 
ATOM     19  C   LIG    1       -5.050   0.460   0.453  0.00  0.00    +0.018 A 
ATOM     20 BR   LIG    1       -6.653   1.239   1.088  0.00  0.00    -0.050 Br
ATOM     21  C   LIG    1       -5.118  -0.651  -0.408  0.00  0.00    +0.016 A 
ATOM     22  C   LIG    1       -3.947  -1.241  -0.888  0.00  0.00    +0.014 A 
ATOM     23  C   LIG    1       -2.743  -0.691  -0.485  0.00  0.00    +0.042 A 
ENDBRANCH   1  15
TORSDOF 1