REMARK  Name = BDB062917
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.264  -1.507   1.087  0.00  0.00    -0.287 OA
ATOM      2  C   LIG    1       -3.272  -1.025   0.584  0.00  0.00    +0.194 C 
ATOM      3  C   LIG    1       -2.139  -1.762  -0.011  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -1.983  -3.133  -0.132  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1       -0.814  -3.594  -0.735  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.161  -2.684  -1.181  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1       -0.024  -1.298  -1.026  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1       -1.193  -0.820  -0.454  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -1.700   0.515  -0.181  0.00  0.00    -0.006 A 
ATOM     10  C   LIG    1       -1.189   1.775  -0.444  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1       -1.933   2.898  -0.052  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.177   2.762   0.591  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -3.705   1.498   0.849  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -2.952   0.410   0.452  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   7  15
ATOM     15  C   LIG    1        1.046  -0.402  -1.488  0.00  0.00    +0.247 C 
ATOM     16  N   LIG    1        1.952   0.040  -0.548  0.00  0.00    -0.298 N 
ATOM     17  C   LIG    1        1.997  -0.302   0.868  0.00  0.00    +0.108 C 
ATOM     18  C   LIG    1        3.349   0.216   1.336  0.00  0.00    +0.020 C 
ATOM     19  C   LIG    1        3.592   1.411   0.422  0.00  0.00    +0.020 C 
ATOM     20  C   LIG    1        3.033   0.938  -0.911  0.00  0.00    +0.108 C 
ATOM     21  O   LIG    1        1.083  -0.099  -2.676  0.00  0.00    -0.270 OA
ENDBRANCH   7  15
TORSDOF 1