REMARK  Name = BDB061297
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.744   1.885  -0.945  0.00  0.00    -0.311 N 
ATOM      2  H   LIG    1       -1.349   2.367  -1.597  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -1.342   1.225   0.113  0.00  0.00    +0.246 C 
ATOM      4  O   LIG    1       -0.777   0.379   0.798  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -2.770   1.577   0.378  0.00  0.00    +0.059 A 
ATOM      6  C   LIG    1       -3.704   0.557   0.738  0.00  0.00    +0.061 A 
ATOM      7  N   LIG    1       -3.268  -0.762   0.670  0.00  0.00    -0.339 N 
ATOM      8  H   LIG    1       -2.261  -0.853   0.864  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -4.028  -1.967   0.926  0.00  0.00    +0.076 C 
ATOM     10  C   LIG    1       -4.876  -1.847   2.169  0.00  0.00    +0.118 C 
ATOM     11  C   LIG    1       -6.141  -1.094   1.914  0.00  0.00    +0.219 C 
ATOM     12  N   LIG    1       -6.107   0.156   1.388  0.00  0.00    -0.284 N 
ATOM     13  H   LIG    1       -7.031   0.570   1.386  0.00  0.00    +0.155 HD
ATOM     14  O   LIG    1       -7.235  -1.571   2.229  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1       -4.771  -2.412  -0.333  0.00  0.00    +0.028 C 
ATOM     16  C   LIG    1       -5.034   0.971   0.977  0.00  0.00    +0.055 A 
ATOM     17  C   LIG    1       -5.389   2.329   0.826  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1       -4.453   3.302   0.490  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1       -3.137   2.929   0.279  0.00  0.00    +0.015 A 
ENDBRANCH   3   5
BRANCH   1  20
ATOM     20  C   LIG    1        0.587   1.528  -1.407  0.00  0.00    +0.106 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.679   1.982  -0.444  0.00  0.00    +0.037 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.079   1.982  -1.062  0.00  0.00    +0.106 C 
BRANCH  22  26
ATOM     23  C   LIG    1        4.383  -1.255   1.550  0.00  0.00    +0.122 A 
ATOM     24  C   LIG    1        3.995  -0.210   0.702  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1        3.933  -0.359  -0.698  0.00  0.00    +0.036 A 
ATOM     26  N   LIG    1        3.529   0.672  -1.547  0.00  0.00    -0.330 N 
ATOM     27  C   LIG    1        3.330   0.373  -2.968  0.00  0.00    +0.105 C 
ATOM     28  C   LIG    1        4.408  -0.561  -3.484  0.00  0.00    +0.024 C 
ATOM     29  C   LIG    1        4.339  -1.864  -2.709  0.00  0.00    +0.038 C 
ATOM     30  C   LIG    1        4.338  -1.609  -1.223  0.00  0.00    -0.026 A 
ATOM     31  C   LIG    1        4.729  -2.658  -0.374  0.00  0.00    +0.009 A 
ATOM     32  C   LIG    1        4.754  -2.478   1.003  0.00  0.00    +0.046 A 
BRANCH  23  34
ATOM     33  C   LIG    1        3.850  -0.068   3.538  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1        4.452  -1.197   2.917  0.00  0.00    -0.495 OA
ENDBRANCH  23  34
ENDBRANCH  22  26
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6