REMARK  Name = BDB006807
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.916  -0.213  -0.095  0.00  0.00    -0.311 N 
ATOM      2  H   LIG    1       -2.047   0.267   0.785  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -3.021  -0.802  -0.678  0.00  0.00    +0.244 C 
ATOM      4  O   LIG    1       -2.951  -1.687  -1.523  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -4.349  -0.335  -0.195  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1       -5.431  -1.220  -0.268  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1       -6.687  -0.812   0.174  0.00  0.00    +0.042 A 
ATOM      8 CL   LIG    1       -8.016  -1.902   0.098  0.00  0.00    -0.084 Cl
ATOM      9  C   LIG    1       -6.878   0.473   0.681  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1       -5.805   1.364   0.739  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -4.541   0.963   0.299  0.00  0.00    +0.013 A 
ENDBRANCH   3   5
BRANCH   1  12
ATOM     12  C   LIG    1       -0.586  -0.700  -0.405  0.00  0.00    +0.106 C 
BRANCH  12  13
ATOM     13  C   LIG    1        0.490   0.248   0.113  0.00  0.00    +0.034 C 
BRANCH  13  14
ATOM     14  C   LIG    1        1.888  -0.264  -0.243  0.00  0.00    +0.083 C 
BRANCH  14  15
ATOM     15  N   LIG    1        2.889   0.667   0.276  0.00  0.00    -0.311 NA
ATOM     16  H   LIG    1        2.763   0.775   1.282  0.00  0.00    +0.122 HD
BRANCH  15  18
ATOM     17  C   LIG    1        4.718  -0.977   0.696  0.00  0.00    +0.027 C 
ATOM     18  C   LIG    1        4.298   0.327  -0.002  0.00  0.00    +0.011 C 
ATOM     19  C   LIG    1        5.138   1.482   0.576  0.00  0.00    +0.027 C 
ATOM     20  C   LIG    1        4.583   0.230  -1.510  0.00  0.00    +0.027 C 
ENDBRANCH  15  18
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   1  12
TORSDOF 6