REMARK  Name = BDB025629
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.585   0.627   0.775  0.00  0.00    +0.241 C 
ATOM      2  N   LIG    1       -0.646   0.180  -0.147  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        0.753   0.210   0.030  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        1.392  -0.331  -1.085  0.00  0.00    -0.024 A 
ATOM      5  C   LIG    1        2.778  -0.413  -1.160  0.00  0.00    +0.017 A 
ATOM      6  C   LIG    1        3.554   0.067  -0.093  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1        2.894   0.611   1.029  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        0.405  -0.828  -2.090  0.00  0.00    +0.056 C 
ATOM      9  C   LIG    1        1.495   0.682   1.097  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -0.917  -0.313  -1.511  0.00  0.00    +0.118 C 
ATOM     11  O   LIG    1       -1.292   1.084   1.882  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   1  13
ATOM     12  N   LIG    1       -3.667  -0.838   0.748  0.00  0.00    -0.258 N 
ATOM     13  C   LIG    1       -3.061   0.489   0.362  0.00  0.00    +0.170 C 
ATOM     14  C   LIG    1       -3.953   1.527   1.060  0.00  0.00    +0.034 C 
ATOM     15  C   LIG    1       -5.301   0.840   1.135  0.00  0.00    +0.022 C 
ATOM     16  C   LIG    1       -4.921  -0.582   1.504  0.00  0.00    +0.117 C 
BRANCH  12  18
ATOM     17  N   LIG    1       -2.455  -3.018   0.764  0.00  0.00    -0.174 NA
ATOM     18  C   LIG    1       -3.016  -2.007   0.776  0.00  0.00    +0.170 C 
ENDBRANCH  12  18
ENDBRANCH   1  13
BRANCH   6  19
ATOM     19  C   LIG    1        5.012  -0.007  -0.151  0.00  0.00    +0.167 A 
ATOM     20  O   LIG    1        5.697   0.583   0.875  0.00  0.00    -0.355 OA
ATOM     21  N   LIG    1        7.060   0.433   0.678  0.00  0.00    -0.086 NA
ATOM     22  C   LIG    1        7.176  -0.245  -0.464  0.00  0.00    +0.157 A 
ATOM     23  C   LIG    1        5.925  -0.547  -1.029  0.00  0.00    +0.072 A 
ENDBRANCH   6  19
TORSDOF 3