REMARK  Name = BDB063490
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.170  -2.964   1.655  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -2.430  -2.317   0.922  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -2.333  -0.852   1.022  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -1.478  -0.151   0.167  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1       -1.458   1.248   0.263  0.00  0.00    +0.126 A 
ATOM      6  C   LIG    1       -2.247   1.916   1.210  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -3.076   1.198   2.067  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1       -0.658  -0.979  -0.768  0.00  0.00    +0.077 A 
ATOM      9  N   LIG    1       -0.775  -2.275  -0.851  0.00  0.00    -0.175 NA
ATOM     10  C   LIG    1       -3.126  -0.187   1.971  0.00  0.00    +0.014 A 
ATOM     11  N   LIG    1       -1.659  -2.908  -0.043  0.00  0.00    -0.242 N 
ATOM     12  H   LIG    1       -1.708  -3.918  -0.126  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   5  13
ATOM     13  O   LIG    1       -0.698   2.012  -0.574  0.00  0.00    -0.506 OA
ATOM     14  H   LIG    1       -0.667   2.927  -0.246  0.00  0.00    +0.292 HD
ENDBRANCH   5  13
BRANCH   8  15
ATOM     15  C   LIG    1        0.404  -0.357  -1.668  0.00  0.00    +0.093 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.686   0.003  -0.947  0.00  0.00    -0.042 A 
ATOM     17  C   LIG    1        2.326   1.221  -1.218  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        3.524   1.554  -0.582  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        4.103   0.667   0.322  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        3.490  -0.556   0.584  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        2.293  -0.890  -0.052  0.00  0.00    +0.004 A 
ENDBRANCH  15  16
ENDBRANCH   8  15
TORSDOF 3