REMARK  Name = BDB051669
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.369   0.714   3.776  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        2.016   0.211   2.717  0.00  0.00    +0.244 C 
ATOM      3  C   LIG    1        2.983  -0.096   1.625  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        2.519  -0.496   0.357  0.00  0.00    -0.010 A 
ATOM      5  C   LIG    1        3.445  -0.904  -0.617  0.00  0.00    -0.040 A 
ATOM      6  C   LIG    1        2.941  -1.435  -1.931  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1        1.582  -2.107  -1.728  0.00  0.00    +0.114 C 
ATOM      8  N   LIG    1        0.616  -1.172  -1.151  0.00  0.00    -0.277 N 
ATOM      9  C   LIG    1       -0.671  -1.171  -1.661  0.00  0.00    +0.303 C 
ATOM     10  N   LIG    1       -1.490  -0.193  -1.162  0.00  0.00    -0.295 N 
ATOM     11  H   LIG    1       -1.045   0.699  -1.015  0.00  0.00    +0.151 HD
ATOM     12  O   LIG    1       -1.065  -1.987  -2.489  0.00  0.00    -0.253 OA
ATOM     13  C   LIG    1        4.817  -0.823  -0.350  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        5.269  -0.379   0.894  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        1.025  -0.445   0.065  0.00  0.00    +0.126 C 
ATOM     16  C   LIG    1        0.291  -0.910   1.340  0.00  0.00    +0.131 C 
ATOM     17  C   LIG    1        4.354  -0.028   1.887  0.00  0.00    +0.013 A 
ATOM     18  N   LIG    1        0.700  -0.117   2.487  0.00  0.00    -0.309 N 
ATOM     19  H   LIG    1        0.090  -0.026   3.290  0.00  0.00    +0.149 HD
ENDROOT
BRANCH  10  20
ATOM     20  C   LIG    1       -2.853  -0.103  -1.637  0.00  0.00    +0.141 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.603   0.955  -0.874  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1       -4.084   0.689   0.417  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -4.754   1.676   1.140  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.945   2.939   0.584  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.465   3.218  -0.694  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.794   2.232  -1.420  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
ENDBRANCH  10  20
TORSDOF 2