REMARK  Name = BDB000647
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.681  -2.995  -0.984  0.00  0.00    -0.282 OA
ATOM      2  C   LIG    1        2.882  -2.170  -0.604  0.00  0.00    +0.250 C 
ATOM      3  C   LIG    1        3.126  -0.743  -0.403  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1        1.932  -0.174   0.039  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1        1.883   1.176   0.336  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1        3.050   1.933   0.167  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        4.244   1.340  -0.286  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1        0.916  -1.142   0.120  0.00  0.00    -0.251 N 
ATOM      9  C   LIG    1        4.292  -0.023  -0.577  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        1.402  -2.398  -0.214  0.00  0.00    +0.292 C 
ATOM     11  O   LIG    1        0.856  -3.481  -0.193  0.00  0.00    -0.266 OA
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1       -0.439  -0.920   0.547  0.00  0.00    +0.201 C 
BRANCH  12  13
ATOM     13  N   LIG    1       -1.318  -0.853  -0.620  0.00  0.00    -0.287 NA
ATOM     14  C   LIG    1       -1.285   0.423  -1.343  0.00  0.00    +0.086 C 
ATOM     15  C   LIG    1       -1.990   1.572  -0.616  0.00  0.00    +0.015 C 
ATOM     16  C   LIG    1       -3.416   1.195  -0.230  0.00  0.00    +0.002 C 
ATOM     17  C   LIG    1       -3.445  -0.140   0.506  0.00  0.00    +0.015 C 
ATOM     18  C   LIG    1       -2.701  -1.220  -0.284  0.00  0.00    +0.086 C 
ENDBRANCH  12  13
ENDBRANCH   8  12
TORSDOF 2