REMARK  Name = BDB007851
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.481   0.270   0.126  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1        1.623  -0.438  -0.635  0.00  0.00    -0.233 NA
ATOM      3  C   LIG    1        0.330  -0.009  -0.702  0.00  0.00    +0.082 A 
ATOM      4  C   LIG    1       -0.611  -0.782  -1.567  0.00  0.00    +0.167 C 
ATOM      5  N   LIG    1       -1.993  -0.693  -1.125  0.00  0.00    -0.276 N 
ATOM      6  C   LIG    1       -2.490   0.536  -0.683  0.00  0.00    +0.314 C 
ATOM      7  N   LIG    1       -1.537   1.466  -0.213  0.00  0.00    -0.222 N 
ATOM      8  O   LIG    1       -3.698   0.778  -0.712  0.00  0.00    -0.252 OA
ATOM      9  C   LIG    1       -0.156   1.126  -0.071  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1        0.756   1.820   0.730  0.00  0.00    +0.029 A 
ATOM     11  C   LIG    1        2.085   1.395   0.826  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -1.965   2.771   0.202  0.00  0.00    +0.044 A 
ATOM     13  C   LIG    1       -3.095   2.936   1.015  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1       -3.509   4.213   1.397  0.00  0.00    +0.043 A 
ATOM     15 CL   LIG    1       -4.884   4.396   2.417  0.00  0.00    -0.083 Cl
ATOM     16  C   LIG    1       -2.817   5.343   0.968  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -1.704   5.197   0.143  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1       -1.285   3.921  -0.240  0.00  0.00    +0.024 A 
ENDBRANCH   7  12
BRANCH   1  20
ATOM     19  C   LIG    1        4.886   0.223   0.785  0.00  0.00    +0.235 C 
ATOM     20  N   LIG    1        3.770  -0.255   0.134  0.00  0.00    -0.269 N 
ATOM     21  H   LIG    1        3.849  -1.086  -0.434  0.00  0.00    +0.156 HD
ATOM     22  O   LIG    1        4.929   1.235   1.481  0.00  0.00    -0.274 OA
BRANCH  19  23
ATOM     23  C   LIG    1        6.144  -0.653   0.588  0.00  0.00    +0.137 C 
ATOM     24  C   LIG    1        6.529  -0.744  -0.887  0.00  0.00    +0.034 C 
BRANCH  23  26
ATOM     25  C   LIG    1        5.877  -2.016   2.585  0.00  0.00    +0.101 C 
ATOM     26  N   LIG    1        5.943  -2.017   1.127  0.00  0.00    -0.309 NA
ATOM     27  H   LIG    1        5.093  -2.433   0.754  0.00  0.00    +0.122 HD
ENDBRANCH  23  26
ENDBRANCH  19  23
ENDBRANCH   1  20
BRANCH   5  28
ATOM     28  C   LIG    1       -2.895  -1.781  -1.572  0.00  0.00    +0.077 C 
ATOM     29  C   LIG    1       -3.946  -1.340  -2.598  0.00  0.00    +0.028 C 
BRANCH  28  30
ATOM     30  C   LIG    1       -3.437  -2.623  -0.380  0.00  0.00    +0.003 C 
ATOM     31  C   LIG    1       -4.064  -3.935  -0.870  0.00  0.00    +0.009 C 
ATOM     32  C   LIG    1       -4.431  -1.901   0.531  0.00  0.00    +0.009 C 
ENDBRANCH  28  30
ENDBRANCH   5  28
TORSDOF 6