REMARK  Name = BDB047375
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.665  -2.929  -0.334  0.00  0.00    +0.113 C 
ATOM      2  C   LIG    1        2.914  -1.509   0.081  0.00  0.00    +0.229 C 
ATOM      3  N   LIG    1        1.787  -0.654   0.037  0.00  0.00    -0.287 N 
ATOM      4  C   LIG    1        1.767   0.710   0.357  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1        0.461   1.183   0.164  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        0.186   2.546   0.417  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        1.205   3.399   0.849  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        2.491   2.915   1.036  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -0.331   0.081  -0.258  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        2.792   1.572   0.795  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1        0.498  -1.016  -0.328  0.00  0.00    +0.103 A 
ATOM     12  O   LIG    1        4.007  -1.091   0.442  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1       -1.715   0.065  -0.566  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1       -2.411   1.062  -1.437  0.00  0.00    +0.273 A 
ATOM     15  O   LIG    1       -1.895   1.934  -2.115  0.00  0.00    -0.266 OA
ATOM     16  N   LIG    1       -3.770   0.786  -1.367  0.00  0.00    -0.265 N 
ATOM     17  H   LIG    1       -4.348   1.038  -2.162  0.00  0.00    +0.190 HD
ATOM     18  N   LIG    1       -3.935  -0.451  -0.746  0.00  0.00    -0.301 N 
ATOM     19  H   LIG    1       -4.690  -0.478  -0.055  0.00  0.00    +0.186 HD
ATOM     20  C   LIG    1       -2.698  -0.782  -0.198  0.00  0.00    +0.042 A 
ATOM     21  C   LIG    1       -2.606  -1.941   0.740  0.00  0.00    +0.065 C 
ENDBRANCH   9  13
TORSDOF 1