REMARK  Name = BDB020817
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.036  -0.040  -0.427  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1        0.801  -0.884  -1.220  0.00  0.00    +0.172 A 
ATOM      3  N   LIG    1        2.161  -0.728  -1.093  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        2.716  -1.617  -1.968  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.770  -2.301  -2.569  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        2.757   0.190  -0.220  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        1.991   0.959   0.507  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.561  -1.843  -2.094  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.623   0.822   0.383  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -4.414   0.066  -0.394  0.00  0.00    +0.077 C 
ATOM     11  C   LIG    1       -3.679  -0.432   0.852  0.00  0.00    +0.027 C 
ATOM     12  C   LIG    1       -2.238   0.087   0.874  0.00  0.00    +0.037 C 
ATOM     13  C   LIG    1       -1.509  -0.087  -0.445  0.00  0.00    -0.039 C 
ATOM     14  C   LIG    1       -2.196  -0.326  -1.580  0.00  0.00    -0.021 C 
ATOM     15  C   LIG    1       -3.692  -0.411  -1.664  0.00  0.00    +0.049 C 
BRANCH  10  18
ATOM     16  C   LIG    1       -8.116  -0.376   0.325  0.00  0.00    +0.109 C 
ATOM     17  C   LIG    1       -6.765   0.287   0.346  0.00  0.00    +0.210 C 
ATOM     18  N   LIG    1       -5.806  -0.371  -0.392  0.00  0.00    -0.312 N 
ATOM     19  H   LIG    1       -6.003  -1.319  -0.689  0.00  0.00    +0.149 HD
ATOM     20  O   LIG    1       -6.553   1.314   0.980  0.00  0.00    -0.276 OA
ENDBRANCH  10  18
ENDBRANCH   1  13
BRANCH   6  21
ATOM     21  N   LIG    1        4.130   0.257  -0.153  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1        4.671  -0.559  -0.421  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1        4.797   1.020   0.890  0.00  0.00    +0.178 C 
BRANCH  23  24
ATOM     24  C   LIG    1        6.283   0.936   0.813  0.00  0.00    +0.122 A 
ATOM     25  O   LIG    1        6.812  -0.309   0.615  0.00  0.00    -0.466 OA
ATOM     26  C   LIG    1        8.162  -0.164   0.576  0.00  0.00    +0.195 A 
ATOM     27  C   LIG    1        8.509   1.156   0.741  0.00  0.00    +0.041 A 
ATOM     28  C   LIG    1        7.295   1.869   0.894  0.00  0.00    +0.046 A 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 5