REMARK  Name = BDB010747
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.514   0.616  -0.075  0.00  0.00    +0.404 C 
ATOM      2  N   LIG    1       -1.194   0.234   0.108  0.00  0.00    -0.261 N 
ATOM      3  C   LIG    1       -0.206   1.298   0.171  0.00  0.00    +0.164 C 
ATOM      4  C   LIG    1        1.222   0.803   0.002  0.00  0.00    +0.039 A 
ATOM      5  N   LIG    1        2.198   1.781  -0.108  0.00  0.00    -0.356 N 
ATOM      6  H   LIG    1        1.901   2.743  -0.227  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1        3.536   1.462  -0.360  0.00  0.00    +0.050 A 
ATOM      8  C   LIG    1        3.932   0.122  -0.413  0.00  0.00    +0.038 A 
ATOM      9  C   LIG    1        5.256  -0.231  -0.618  0.00  0.00    +0.052 A 
ATOM     10  C   LIG    1        5.599  -1.658  -0.667  0.00  0.00    +0.273 A 
ATOM     11  N   LIG    1        4.554  -2.538  -0.500  0.00  0.00    -0.242 N 
ATOM     12  H   LIG    1        4.770  -3.530  -0.533  0.00  0.00    +0.192 HD
ATOM     13  N   LIG    1        3.244  -2.208  -0.301  0.00  0.00    -0.171 NA
ATOM     14  O   LIG    1        6.754  -2.029  -0.845  0.00  0.00    -0.266 OA
ATOM     15  C   LIG    1        6.227   0.762  -0.767  0.00  0.00    +0.014 A 
ATOM     16  C   LIG    1        5.851   2.106  -0.702  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1        2.930  -0.946  -0.256  0.00  0.00    +0.099 A 
ATOM     18  C   LIG    1        4.512   2.454  -0.493  0.00  0.00    +0.026 A 
ATOM     19  C   LIG    1        1.510  -0.515  -0.047  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1        0.469  -1.586   0.093  0.00  0.00    +0.058 C 
ATOM     21  C   LIG    1       -0.826  -1.050   0.695  0.00  0.00    +0.116 C 
ATOM     22  O   LIG    1       -2.850   1.765  -0.334  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  23
ATOM     23  O   LIG    1       -3.377  -0.421   0.067  0.00  0.00    -0.445 OA
BRANCH  23  25
ATOM     24  C   LIG    1       -5.405  -1.633   0.141  0.00  0.00    +0.055 C 
ATOM     25  C   LIG    1       -4.807  -0.238  -0.094  0.00  0.00    +0.107 C 
ATOM     26  C   LIG    1       -5.156   0.210  -1.517  0.00  0.00    +0.055 C 
ATOM     27  C   LIG    1       -5.369   0.719   0.964  0.00  0.00    +0.055 C 
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 2