REMARK  Name = BDB021687
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.456  -0.215  -0.292  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        2.354  -1.295  -0.218  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        3.554  -1.000   0.392  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        3.794  -0.024   0.423  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        2.071  -2.400  -0.675  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        4.585  -1.898   0.738  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1        4.444  -3.288   0.733  0.00  0.00    +0.044 A 
ATOM      8  C   LIG    1        5.512  -4.115   1.105  0.00  0.00    +0.061 A 
ATOM      9 CL   LIG    1        5.258  -5.825   1.074  0.00  0.00    -0.082 Cl
ATOM     10  C   LIG    1        6.732  -3.552   1.492  0.00  0.00    +0.059 A 
ATOM     11 CL   LIG    1        8.092  -4.507   1.965  0.00  0.00    -0.082 Cl
ATOM     12  C   LIG    1        6.876  -2.164   1.509  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1        5.807  -1.343   1.138  0.00  0.00    +0.025 A 
ENDBRANCH   3   6
BRANCH   1  14
ATOM     14  C   LIG    1        0.165  -0.481  -0.973  0.00  0.00    +0.080 C 
ATOM     15  C   LIG    1       -0.453   0.723  -1.693  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1       -1.916   0.428  -2.017  0.00  0.00    +0.086 C 
ATOM     17  N   LIG    1       -2.728   0.348  -0.797  0.00  0.00    -0.300 NA
ATOM     18  C   LIG    1       -2.021  -0.278   0.336  0.00  0.00    +0.086 C 
ATOM     19  C   LIG    1       -0.849  -1.181  -0.051  0.00  0.00    +0.038 C 
BRANCH  17  20
ATOM     20  C   LIG    1       -4.109  -0.163  -0.981  0.00  0.00    +0.054 C 
ATOM     21  C   LIG    1       -4.736   0.226  -2.334  0.00  0.00    +0.024 C 
BRANCH  20  22
ATOM     22  C   LIG    1       -5.003   0.375   0.172  0.00  0.00    +0.018 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -6.401  -0.255   0.217  0.00  0.00    -0.002 C 
ATOM     24  C   LIG    1       -7.167   0.185   1.457  0.00  0.00    +0.004 C 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH   1  14
BRANCH   1  25
ATOM     25  C   LIG    1        1.569   0.983   0.553  0.00  0.00    +0.109 C 
BRANCH  25  26
ATOM     26  C   LIG    1        2.295   2.129  -0.158  0.00  0.00    +0.019 C 
BRANCH  26  28
ATOM     27  C   LIG    1        3.120   4.502   0.048  0.00  0.00    +0.004 C 
ATOM     28  C   LIG    1        2.402   3.357   0.746  0.00  0.00    -0.002 C 
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 8