REMARK  Name = BDB003691
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.086  -0.100   0.003  0.00  0.00    -0.149 N 
ATOM      2  N   LIG    1        0.975   0.631  -0.712  0.00  0.00    -0.147 NA
ATOM      3  C   LIG    1        2.154   0.093  -0.370  0.00  0.00    +0.115 A 
ATOM      4  C   LIG    1        1.910  -0.990   0.576  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1        2.951  -1.765   1.112  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        4.237  -1.397   0.664  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1        4.493  -0.308  -0.220  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1        3.448   0.438  -0.802  0.00  0.00    +0.054 A 
ATOM      9  N   LIG    1        0.591  -1.078   0.791  0.00  0.00    -0.147 NA
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1       -5.553   0.930  -0.309  0.00  0.00    +0.045 C 
ATOM     11  C   LIG    1       -4.081   0.643  -0.212  0.00  0.00    -0.032 A 
ATOM     12  C   LIG    1       -3.577  -0.376   0.612  0.00  0.00    +0.046 A 
ATOM     13 CL   LIG    1       -4.626  -1.363   1.567  0.00  0.00    -0.083 Cl
ATOM     14  C   LIG    1       -2.203  -0.624   0.685  0.00  0.00    +0.049 A 
ATOM     15  C   LIG    1       -1.311   0.149  -0.069  0.00  0.00    +0.088 A 
ATOM     16  C   LIG    1       -1.803   1.168  -0.894  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1       -3.177   1.411  -0.963  0.00  0.00    +0.007 A 
ENDBRANCH   1  15
BRANCH   7  18
ATOM     18  N   LIG    1        5.807  -0.112  -0.683  0.00  0.00    -0.358 N 
ATOM     19  H   LIG    1        6.528  -0.418  -0.036  0.00  0.00    +0.142 HD
ATOM     20  H   LIG    1        5.985   0.821  -1.045  0.00  0.00    +0.142 HD
ENDBRANCH   7  18
TORSDOF 2