REMARK  Name = BDB044019
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.446   1.861  -1.337  0.00  0.00    +0.149 C 
ATOM      2  N   LIG    1       -0.626   0.855  -0.310  0.00  0.00    -0.338 N 
ATOM      3  C   LIG    1       -1.772   0.123  -0.066  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1       -1.427  -0.840   0.858  0.00  0.00    +0.068 A 
ATOM      5  N   LIG    1       -2.321  -1.798   1.265  0.00  0.00    -0.320 N 
ATOM      6  H   LIG    1       -2.048  -2.502   1.936  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -3.601  -1.869   0.755  0.00  0.00    +0.257 A 
ATOM      8  C   LIG    1       -4.031  -0.811  -0.217  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1       -5.349  -0.833  -0.692  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -5.794   0.169  -1.550  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -4.929   1.196  -1.920  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.610   1.220  -1.450  0.00  0.00    +0.011 A 
ATOM     13  O   LIG    1       -4.368  -2.765   1.099  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1       -0.102  -0.639   1.265  0.00  0.00    +0.058 A 
ATOM     15  C   LIG    1       -3.131   0.206  -0.614  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        0.398   0.429   0.534  0.00  0.00    +0.107 A 
ENDROOT
BRANCH  16  17
ATOM     17  C   LIG    1        1.702   1.068   0.633  0.00  0.00    +0.263 C 
ATOM     18  N   LIG    1        2.827   0.247   0.703  0.00  0.00    -0.294 N 
ATOM     19  C   LIG    1        2.845  -1.153   0.262  0.00  0.00    +0.123 C 
ATOM     20  C   LIG    1        4.254  -1.629  -0.154  0.00  0.00    +0.100 C 
ATOM     21  N   LIG    1        4.960  -0.667  -1.016  0.00  0.00    -0.313 NA
ATOM     22  H   LIG    1        4.456  -0.599  -1.901  0.00  0.00    +0.122 HD
ATOM     23  C   LIG    1        4.991   0.684  -0.409  0.00  0.00    +0.100 C 
ATOM     24  C   LIG    1        4.144   0.861   0.865  0.00  0.00    +0.123 C 
ATOM     25  O   LIG    1        1.804   2.293   0.640  0.00  0.00    -0.268 OA
ENDBRANCH  16  17
TORSDOF 1