REMARK  Name = BDB020597
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.350  -1.538   1.032  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1       -1.048  -1.073   1.023  0.00  0.00    -0.016 A 
ATOM      3  C   LIG    1       -1.356   0.147   1.856  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1       -1.974  -1.798   0.329  0.00  0.00    +0.056 A 
ATOM      5  N   LIG    1       -1.548  -3.011  -0.278  0.00  0.00    -0.317 N 
ATOM      6  C   LIG    1       -0.239  -3.484  -0.222  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -0.159  -4.686  -0.891  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1       -1.450  -4.981  -1.374  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -2.279  -3.952  -0.985  0.00  0.00    +0.091 A 
ATOM     10  C   LIG    1        0.726  -2.695   0.455  0.00  0.00    +0.039 A 
ENDROOT
BRANCH   1  13
ATOM     11  N   LIG    1        1.633   0.481   1.069  0.00  0.00    -0.307 N 
ATOM     12  H   LIG    1        1.064   0.742   0.271  0.00  0.00    +0.149 HD
ATOM     13  C   LIG    1        1.474  -0.758   1.632  0.00  0.00    +0.245 C 
ATOM     14  O   LIG    1        2.200  -1.227   2.501  0.00  0.00    -0.270 OA
BRANCH  11  15
ATOM     15  C   LIG    1        2.738   1.352   1.394  0.00  0.00    +0.145 C 
BRANCH  15  22
ATOM     16  C   LIG    1        6.566   1.231  -2.982  0.00  0.00    +0.063 C 
ATOM     17  C   LIG    1        5.643   1.198  -1.804  0.00  0.00    +0.016 A 
ATOM     18  N   LIG    1        4.439   1.843  -1.933  0.00  0.00    -0.326 N 
ATOM     19  H   LIG    1        4.202   2.308  -2.801  0.00  0.00    +0.169 HD
ATOM     20  C   LIG    1        3.478   1.895  -0.957  0.00  0.00    +0.254 A 
ATOM     21  O   LIG    1        2.405   2.462  -1.147  0.00  0.00    -0.268 OA
ATOM     22  C   LIG    1        3.799   1.215   0.343  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1        4.988   0.583   0.463  0.00  0.00    -0.039 A 
ATOM     24  C   LIG    1        5.465  -0.159   1.681  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1        5.928   0.576  -0.651  0.00  0.00    +0.024 A 
ENDBRANCH  15  22
ENDBRANCH  11  15
ENDBRANCH   1  13
BRANCH   4  26
ATOM     26  C   LIG    1       -3.435  -1.397   0.139  0.00  0.00    +0.163 C 
ATOM     27  C   LIG    1       -4.314  -1.965   1.253  0.00  0.00    +0.044 C 
BRANCH  26  28
ATOM     28  O   LIG    1       -3.547   0.030   0.100  0.00  0.00    -0.366 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -4.633   0.502  -0.692  0.00  0.00    +0.196 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -4.625   2.008  -0.683  0.00  0.00    -0.019 A 
ATOM     31  C   LIG    1       -5.809   2.730  -0.506  0.00  0.00    +0.025 A 
ATOM     32  C   LIG    1       -5.754   4.116  -0.536  0.00  0.00    +0.111 A 
ATOM     33  N   LIG    1       -4.620   4.821  -0.735  0.00  0.00    -0.263 NA
ATOM     34  C   LIG    1       -3.488   4.106  -0.909  0.00  0.00    +0.111 A 
ATOM     35  C   LIG    1       -3.441   2.721  -0.897  0.00  0.00    +0.025 A 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH   4  26
TORSDOF 7