REMARK  Name = BDB016868
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.044   0.820  -0.073  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1        0.197  -0.284  -0.639  0.00  0.00    +0.161 C 
ATOM      3  C   LIG    1       -1.149   0.273  -0.380  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -1.102   1.460   0.278  0.00  0.00    +0.149 A 
ATOM      5  N   LIG    1       -2.336   1.966   0.493  0.00  0.00    -0.227 NA
ATOM      6  C   LIG    1       -3.166   1.084  -0.055  0.00  0.00    +0.116 A 
ATOM      7  N   LIG    1       -2.461   0.014  -0.628  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1        0.264   1.856   0.516  0.00  0.00    +0.272 C 
ATOM      9  O   LIG    1        0.614   2.885   1.072  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  19
ATOM     10  C   LIG    1        5.189  -1.112  -2.069  0.00  0.00    +0.046 C 
ATOM     11  C   LIG    1        4.555  -0.109  -1.151  0.00  0.00    -0.019 A 
ATOM     12  C   LIG    1        5.294   0.820  -0.401  0.00  0.00    +0.116 A 
ATOM     13  N   LIG    1        6.646   1.028  -0.315  0.00  0.00    -0.129 NA
ATOM     14  N   LIG    1        6.858   2.025   0.534  0.00  0.00    -0.065 NA
ATOM     15  N   LIG    1        5.656   2.444   0.970  0.00  0.00    -0.247 N 
ATOM     16  C   LIG    1        5.578   3.528   1.913  0.00  0.00    +0.175 C 
ATOM     17  C   LIG    1        4.633   1.719   0.421  0.00  0.00    +0.091 A 
ATOM     18  C   LIG    1        3.238   1.753   0.560  0.00  0.00    +0.053 A 
ATOM     19  C   LIG    1        2.471   0.834  -0.176  0.00  0.00    +0.040 A 
ATOM     20  C   LIG    1        3.145  -0.071  -1.018  0.00  0.00    +0.029 A 
ENDBRANCH   1  19
BRANCH   2  21
ATOM     21  C   LIG    1        0.436  -1.618   0.052  0.00  0.00    -0.021 A 
ATOM     22  C   LIG    1        0.355  -1.749   1.451  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1        0.579  -2.982   2.069  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        0.889  -4.098   1.296  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1        1.161  -5.617   2.055  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1        0.977  -3.991  -0.089  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        0.752  -2.759  -0.709  0.00  0.00    +0.007 A 
ENDBRANCH   2  21
BRANCH   6  28
ATOM     28  C   LIG    1       -4.668   1.237  -0.083  0.00  0.00    +0.083 C 
ATOM     29  C   LIG    1       -5.355   0.376   0.973  0.00  0.00    +0.171 C 
ATOM     30  O   LIG    1       -5.715   1.214   2.084  0.00  0.00    -0.379 OA
ATOM     31  C   LIG    1       -5.239   2.538   1.813  0.00  0.00    +0.160 C 
ATOM     32  C   LIG    1       -5.123   2.633   0.308  0.00  0.00    +0.041 C 
ENDBRANCH   6  28
BRANCH   7  33
ATOM     33  C   LIG    1       -3.042  -1.101  -1.370  0.00  0.00    +0.083 C 
ATOM     34  C   LIG    1       -2.389  -1.313  -2.737  0.00  0.00    +0.030 C 
ATOM     35  C   LIG    1       -3.076  -2.392  -0.555  0.00  0.00    +0.030 C 
ENDBRANCH   7  33
TORSDOF 4