REMARK  Name = BDB056259
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.522   2.164  -1.840  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1       -1.131   2.477  -0.534  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        0.230   2.674  -0.273  0.00  0.00    +0.139 A 
ATOM      4  C   LIG    1        1.189   2.576  -1.283  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1        0.781   2.310  -2.596  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1       -0.574   2.101  -2.872  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -3.392   2.579  -3.147  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.954   1.973  -2.174  0.00  0.00    +0.247 C 
ATOM      9  N   LIG    1       -3.733   1.148  -1.355  0.00  0.00    -0.297 N 
ATOM     10  C   LIG    1       -5.156   1.092  -1.671  0.00  0.00    +0.109 C 
ATOM     11  C   LIG    1       -5.995   0.642  -0.478  0.00  0.00    +0.038 C 
ATOM     12  C   LIG    1       -5.490  -0.696   0.097  0.00  0.00    +0.060 C 
ATOM     13  C   LIG    1       -3.995  -0.539   0.442  0.00  0.00    +0.038 C 
ATOM     14  C   LIG    1       -3.189  -0.076  -0.767  0.00  0.00    +0.109 C 
BRANCH  12  15
ATOM     15  N   LIG    1       -6.270  -1.104   1.284  0.00  0.00    -0.299 NA
ATOM     16  C   LIG    1       -7.703  -1.279   1.016  0.00  0.00    +0.085 C 
ATOM     17  C   LIG    1       -8.209  -2.031   2.237  0.00  0.00    +0.017 C 
ATOM     18  C   LIG    1       -6.995  -2.766   2.784  0.00  0.00    +0.017 C 
ATOM     19  C   LIG    1       -5.850  -2.389   1.856  0.00  0.00    +0.085 C 
ENDBRANCH  12  15
ENDBRANCH   1   8
BRANCH   4  20
ATOM     20  C   LIG    1        2.605   2.874  -1.011  0.00  0.00    +0.249 C 
ATOM     21  N   LIG    1        3.537   1.851  -1.122  0.00  0.00    -0.297 N 
ATOM     22  C   LIG    1        3.196   0.447  -1.353  0.00  0.00    +0.109 C 
ATOM     23  C   LIG    1        4.367  -0.502  -1.103  0.00  0.00    +0.038 C 
ATOM     24  C   LIG    1        5.037  -0.170   0.240  0.00  0.00    +0.060 C 
ATOM     25  C   LIG    1        5.473   1.313   0.310  0.00  0.00    +0.038 C 
ATOM     26  C   LIG    1        4.939   2.146  -0.853  0.00  0.00    +0.109 C 
ATOM     27  O   LIG    1        2.866   4.030  -0.695  0.00  0.00    -0.270 OA
BRANCH  24  28
ATOM     28  N   LIG    1        6.065  -1.167   0.575  0.00  0.00    -0.299 NA
ATOM     29  C   LIG    1        7.235  -1.222  -0.296  0.00  0.00    +0.085 C 
ATOM     30  C   LIG    1        8.182  -2.136   0.468  0.00  0.00    +0.017 C 
ATOM     31  C   LIG    1        7.768  -2.016   1.930  0.00  0.00    +0.017 C 
ATOM     32  C   LIG    1        6.588  -1.056   1.936  0.00  0.00    +0.085 C 
ENDBRANCH  24  28
ENDBRANCH   4  20
BRANCH   3  33
ATOM     33  N   LIG    1        0.636   2.923   1.094  0.00  0.00    +0.057 N 
ATOM     34  O   LIG    1        1.395   2.090   1.610  0.00  0.00    -0.126 OA
ATOM     35  O   LIG    1        0.129   3.896   1.666  0.00  0.00    -0.126 OA
ENDBRANCH   3  33
TORSDOF 5