REMARK  Name = BDB021989
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.102   0.658  -0.361  0.00  0.00    -0.296 N 
ATOM      2  H   LIG    1        1.122   0.630  -1.370  0.00  0.00    +0.151 HD
ATOM      3  C   LIG    1        2.239   0.167   0.255  0.00  0.00    +0.304 C 
ATOM      4  N   LIG    1        3.350   0.407  -0.524  0.00  0.00    -0.269 N 
ATOM      5  H   LIG    1        3.213   1.078  -1.265  0.00  0.00    +0.156 HD
ATOM      6  O   LIG    1        2.215  -0.380   1.349  0.00  0.00    -0.253 OA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        4.674  -0.011  -0.284  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1        5.037  -0.906   0.725  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1        6.374  -1.275   0.884  0.00  0.00    +0.043 A 
ATOM     10 CL   LIG    1        6.815  -2.379   2.130  0.00  0.00    -0.083 Cl
ATOM     11  C   LIG    1        7.360  -0.762   0.044  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        7.006   0.125  -0.969  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1        5.669   0.496  -1.133  0.00  0.00    +0.023 A 
ENDBRANCH   4   7
BRANCH   1  17
ATOM     14  N   LIG    1       -3.066  -0.129  -0.021  0.00  0.00    -0.302 NA
ATOM     15  C   LIG    1       -2.608   1.241   0.258  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1       -1.207   1.480  -0.306  0.00  0.00    +0.037 C 
ATOM     17  C   LIG    1       -0.211   0.464   0.248  0.00  0.00    +0.077 C 
ATOM     18  C   LIG    1       -0.729  -0.956   0.017  0.00  0.00    +0.037 C 
ATOM     19  C   LIG    1       -2.143  -1.114   0.571  0.00  0.00    +0.086 C 
BRANCH  14  20
ATOM     20  C   LIG    1       -4.433  -0.367   0.483  0.00  0.00    +0.084 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -6.904   0.012   0.153  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -5.504   0.398  -0.303  0.00  0.00    +0.012 C 
ENDBRANCH  20  22
ENDBRANCH  14  20
ENDBRANCH   1  17
TORSDOF 4