REMARK  Name = BDB023886
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.650   4.211  -2.695  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -4.591   3.969  -1.857  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1       -4.305   5.316  -1.864  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1       -3.554   3.731  -1.036  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1       -3.208   2.381  -0.589  0.00  0.00    -0.281 N 
ATOM      6  C   LIG    1       -2.123   2.297   0.379  0.00  0.00    +0.150 C 
ATOM      7  C   LIG    1       -1.627   0.934   0.552  0.00  0.00    +0.035 A 
ATOM      8  C   LIG    1       -0.410   0.437   0.937  0.00  0.00    +0.165 A 
ATOM      9  N   LIG    1       -0.520  -0.895   0.889  0.00  0.00    -0.152 NA
ATOM     10  N   LIG    1       -1.724  -1.295   0.499  0.00  0.00    -0.263 N 
ATOM     11  C   LIG    1       -2.426  -0.191   0.287  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1       -3.812   0.046  -0.139  0.00  0.00    +0.074 C 
ATOM     13  C   LIG    1       -3.929   1.255  -1.058  0.00  0.00    +0.116 C 
ATOM     14  O   LIG    1       -2.725   4.595  -0.520  0.00  0.00    -0.253 OA
ENDROOT
BRANCH   8  15
ATOM     15  N   LIG    1        0.814   1.076   1.291  0.00  0.00    -0.295 N 
ATOM     16  C   LIG    1        2.017   0.629   0.792  0.00  0.00    +0.074 A 
ATOM     17  C   LIG    1        3.013   1.445   1.261  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        4.316   1.186   0.916  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1        4.691   0.107   0.099  0.00  0.00    +0.075 A 
ATOM     20  N   LIG    1        3.667  -0.649  -0.319  0.00  0.00    -0.253 NA
ATOM     21  C   LIG    1        2.389   2.381   2.049  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1        2.381  -0.421  -0.004  0.00  0.00    +0.138 A 
ATOM     23  C   LIG    1        1.003   2.141   2.066  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1        0.030   2.947   2.870  0.00  0.00    +0.064 C 
BRANCH  19  25
ATOM     25  C   LIG    1        6.075  -0.177  -0.170  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1        6.593  -1.427  -0.539  0.00  0.00    +0.118 A 
ATOM     27  N   LIG    1        7.942  -1.311  -0.616  0.00  0.00    -0.274 N 
ATOM     28  C   LIG    1        8.880  -2.409  -0.950  0.00  0.00    +0.172 C 
ATOM     29  N   LIG    1        8.247  -0.070  -0.319  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1        7.145   0.658  -0.039  0.00  0.00    +0.144 A 
ENDBRANCH  19  25
ENDBRANCH   8  15
BRANCH  10  31
ATOM     31  C   LIG    1       -2.053  -2.676   0.339  0.00  0.00    +0.112 C 
ATOM     32  C   LIG    1       -3.293  -3.169   0.997  0.00  0.00    +0.055 C 
ATOM     33  C   LIG    1       -3.183  -4.704   0.922  0.00  0.00    +0.162 C 
ATOM     34  O   LIG    1       -3.359  -5.026  -0.437  0.00  0.00    -0.380 OA
ATOM     35  C   LIG    1       -2.245  -4.586  -1.159  0.00  0.00    +0.162 C 
ATOM     36  C   LIG    1       -2.139  -3.075  -1.129  0.00  0.00    +0.055 C 
ENDBRANCH  10  31
TORSDOF 3