REMARK  Name = BDB000913
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.576  -1.950   1.134  0.00  0.00    +0.082 A 
ATOM      2  C   LIG    1       -0.843  -2.147   1.098  0.00  0.00    +0.149 A 
ATOM      3  N   LIG    1       -1.188  -3.316   1.658  0.00  0.00    -0.169 NA
ATOM      4  N   LIG    1       -0.035  -3.825   2.101  0.00  0.00    -0.282 N 
ATOM      5  H   LIG    1       -0.058  -4.718   2.582  0.00  0.00    +0.188 HD
ATOM      6  C   LIG    1        1.044  -3.044   1.826  0.00  0.00    +0.129 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -1.962  -1.190   0.522  0.00  0.00    +0.161 A 
ATOM      8  N   LIG    1       -1.766   0.093   0.081  0.00  0.00    -0.337 N 
ATOM      9  H   LIG    1       -0.905   0.609   0.122  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1       -2.965   0.607  -0.340  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1       -3.870  -0.421  -0.109  0.00  0.00    +0.090 A 
ATOM     12  C   LIG    1       -5.221  -0.229  -0.427  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -5.614   1.001  -0.970  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -4.681   2.018  -1.188  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -3.328   1.845  -0.874  0.00  0.00    +0.028 A 
ATOM     16  N   LIG    1       -3.240  -1.511   0.431  0.00  0.00    -0.226 NA
ENDBRANCH   2   7
BRANCH   1  19
ATOM     17  O   LIG    1        3.488  -1.636   1.209  0.00  0.00    -0.270 OA
ATOM     18  C   LIG    1        2.727  -0.847   0.664  0.00  0.00    +0.248 C 
ATOM     19  N   LIG    1        1.346  -0.928   0.591  0.00  0.00    -0.278 N 
ATOM     20  H   LIG    1        0.882  -0.290  -0.033  0.00  0.00    +0.155 HD
BRANCH  18  21
ATOM     21  C   LIG    1        3.309   0.327  -0.039  0.00  0.00    +0.037 A 
ATOM     22  C   LIG    1        4.489   0.153  -0.770  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1        5.055   1.233  -1.449  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        4.450   2.489  -1.388  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        3.284   2.671  -0.642  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        2.713   1.593   0.037  0.00  0.00    +0.013 A 
ENDBRANCH  18  21
ENDBRANCH   1  19
TORSDOF 3