REMARK  Name = BDB049961
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.427   0.039  -0.681  0.00  0.00    +0.267 C 
ATOM      2  N   LIG    1        0.255   0.032   0.064  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -1.033   0.215  -0.586  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -2.026   0.430   0.564  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -1.387  -0.356   1.706  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.102  -0.112   1.502  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        1.377   0.088  -1.913  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        4.958  -0.121   0.324  0.00  0.00    +0.039 A 
ATOM      9  N   LIG    1        4.262  -0.006   1.494  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1        4.634   0.037   2.437  0.00  0.00    +0.189 HD
ATOM     11  N   LIG    1        2.932   0.059   1.335  0.00  0.00    -0.169 NA
ATOM     12  C   LIG    1        2.740  -0.015   0.003  0.00  0.00    +0.147 A 
ATOM     13  C   LIG    1        3.996  -0.125  -0.662  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1        7.045   0.980  -0.479  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1        6.451  -0.206   0.281  0.00  0.00    +0.031 C 
ATOM     16  C   LIG    1        6.906  -1.528  -0.339  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1       -3.375  -0.013   0.269  0.00  0.00    -0.311 N 
ATOM     18  H   LIG    1       -3.631  -0.972   0.463  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1       -4.205   0.730  -0.550  0.00  0.00    +0.216 C 
ATOM     20  O   LIG    1       -3.867   1.834  -0.978  0.00  0.00    -0.276 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -5.551   0.030  -0.869  0.00  0.00    +0.075 C 
ATOM     22  C   LIG    1       -6.750   0.929  -1.280  0.00  0.00    +0.013 C 
ATOM     23  C   LIG    1       -7.664  -0.054  -0.527  0.00  0.00    +0.001 C 
ATOM     24  C   LIG    1       -6.437  -0.431   0.323  0.00  0.00    +0.013 C 
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 4