REMARK  Name = BDB022997
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.969  -2.993  -0.052  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -0.650  -2.249  -0.241  0.00  0.00    +0.078 C 
ATOM      3  N   LIG    1       -0.620  -1.232  -1.309  0.00  0.00    -0.290 N 
ATOM      4  C   LIG    1       -1.627  -0.315  -1.593  0.00  0.00    +0.220 C 
ATOM      5  O   LIG    1       -1.772   0.135  -2.733  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1        0.773  -0.925  -1.726  0.00  0.00    +0.122 C 
ATOM      7  C   LIG    1        0.953   0.042  -2.901  0.00  0.00    +0.035 C 
ATOM      8  C   LIG    1        1.599  -0.508  -0.496  0.00  0.00    +0.070 A 
ATOM      9  C   LIG    1        1.214  -0.915   0.779  0.00  0.00    -0.004 A 
ATOM     10  C   LIG    1        2.041  -0.513   1.804  0.00  0.00    +0.120 A 
ATOM     11  N   LIG    1        3.163   0.203   1.621  0.00  0.00    -0.223 NA
ATOM     12  C   LIG    1        3.469   0.542   0.364  0.00  0.00    +0.216 A 
ATOM     13  N   LIG    1        2.735   0.197  -0.702  0.00  0.00    -0.217 NA
ATOM     14  C   LIG    1       -0.046  -1.693   1.055  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   4  15
ATOM     15  C   LIG    1       -2.460   0.260  -0.448  0.00  0.00    +0.085 C 
ATOM     16  C   LIG    1       -3.902   0.608  -0.910  0.00  0.00    +0.045 C 
ATOM     17  C   LIG    1       -4.477   1.827  -0.139  0.00  0.00    +0.093 C 
ATOM     18  N   LIG    1       -3.943   1.902   1.228  0.00  0.00    -0.305 NA
ATOM     19  C   LIG    1       -4.655   2.897   2.027  0.00  0.00    +0.104 C 
ATOM     20  C   LIG    1       -2.497   2.159   1.235  0.00  0.00    +0.085 C 
ATOM     21  C   LIG    1       -1.759   1.533   0.048  0.00  0.00    +0.029 C 
BRANCH  16  22
ATOM     22  C   LIG    1       -4.785  -0.635  -0.851  0.00  0.00    -0.042 A 
ATOM     23  C   LIG    1       -5.401  -1.057   0.337  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -6.182  -2.214   0.362  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.352  -2.968  -0.796  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.740  -2.567  -1.981  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.960  -1.410  -2.008  0.00  0.00    +0.004 A 
ENDBRANCH  16  22
ENDBRANCH   4  15
BRANCH  12  28
ATOM     28  N   LIG    1        4.603   1.284   0.085  0.00  0.00    -0.310 N 
ATOM     29  H   LIG    1        4.775   1.186  -0.909  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1        5.752   1.104   0.967  0.00  0.00    +0.077 C 
ATOM     31  C   LIG    1        6.758   2.237   0.711  0.00  0.00    +0.050 C 
ATOM     32  C   LIG    1        7.857   1.781  -0.234  0.00  0.00    +0.161 C 
ATOM     33  O   LIG    1        8.604   0.679   0.282  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1        7.869  -0.223   1.108  0.00  0.00    +0.161 C 
ATOM     35  C   LIG    1        6.393  -0.274   0.754  0.00  0.00    +0.050 C 
ENDBRANCH  28  30
ENDBRANCH  12  28
TORSDOF 4