REMARK  Name = BDB002209
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.005   0.392  -1.672  0.00  0.00    -0.311 N 
ATOM      2  H   LIG    1        1.127  -0.607  -1.512  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        2.088   1.066  -2.203  0.00  0.00    +0.235 C 
ATOM      4  O   LIG    1        1.982   2.138  -2.794  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -0.981   0.501  -3.078  0.00  0.00    +0.028 C 
ATOM      6  C   LIG    1       -0.360   0.905  -1.738  0.00  0.00    +0.076 C 
BRANCH   6   7
ATOM      7  C   LIG    1       -1.182   0.480  -0.475  0.00  0.00    -0.010 C 
ATOM      8  C   LIG    1       -0.433   0.931   0.817  0.00  0.00    +0.012 C 
ATOM      9  C   LIG    1       -1.228   0.563   2.079  0.00  0.00    -0.010 C 
ATOM     10  C   LIG    1       -1.429  -0.960   2.121  0.00  0.00    +0.007 C 
ATOM     11  C   LIG    1       -2.206  -1.421   0.879  0.00  0.00    -0.010 C 
ATOM     12  C   LIG    1       -3.571  -0.717   0.844  0.00  0.00    +0.007 C 
ATOM     13  C   LIG    1       -3.374   0.806   0.794  0.00  0.00    -0.010 C 
ATOM     14  C   LIG    1       -2.596   1.259   2.037  0.00  0.00    +0.007 C 
ATOM     15  C   LIG    1       -1.411  -1.054  -0.388  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1       -2.576   1.171  -0.471  0.00  0.00    +0.012 C 
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   3  17
ATOM     17  C   LIG    1        3.420   0.318  -2.106  0.00  0.00    +0.243 C 
BRANCH  17  18
ATOM     18  N   LIG    1        3.709  -0.117  -0.736  0.00  0.00    -0.219 N 
ATOM     19  C   LIG    1        3.135  -1.284  -0.243  0.00  0.00    +0.288 A 
ATOM     20  O   LIG    1        2.360  -1.969  -0.912  0.00  0.00    -0.265 OA
ATOM     21  C   LIG    1        3.471  -1.644   1.163  0.00  0.00    +0.126 A 
ATOM     22 CL   LIG    1        2.751  -3.082   1.797  0.00  0.00    -0.076 Cl
ATOM     23  C   LIG    1        4.279  -0.860   1.876  0.00  0.00    +0.084 A 
ATOM     24 CL   LIG    1        4.757  -1.121   3.502  0.00  0.00    -0.080 Cl
ATOM     25  C   LIG    1        4.804   0.337   1.208  0.00  0.00    +0.154 A 
ATOM     26  N   LIG    1        4.549   0.695  -0.008  0.00  0.00    -0.175 NA
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 4