REMARK  Name = BDB056887
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.810   4.917   1.082  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -2.247   3.518   0.733  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -1.260   2.614   0.360  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.733   1.280  -0.064  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -0.605   0.308  -0.094  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -0.596  -1.085  -0.359  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1        0.661  -1.559  -0.365  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1        1.440  -0.506  -0.043  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1        0.721   0.644   0.094  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        1.185   2.020   0.396  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1        0.100   3.018  -0.058  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -3.438   3.212   0.796  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1       -1.723  -1.952  -0.660  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -2.732  -2.160   0.309  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -3.816  -2.976  -0.031  0.00  0.00    +0.047 A 
ATOM     16  N   LIG    1       -4.657  -3.015   1.059  0.00  0.00    -0.361 N 
ATOM     17  H   LIG    1       -5.526  -3.530   1.093  0.00  0.00    +0.165 HD
ATOM     18  C   LIG    1       -4.141  -2.272   2.085  0.00  0.00    +0.083 A 
ATOM     19  C   LIG    1       -3.934  -3.601  -1.279  0.00  0.00    +0.026 A 
ATOM     20  C   LIG    1       -2.912  -3.399  -2.210  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1       -2.949  -1.737   1.655  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1       -1.819  -2.589  -1.908  0.00  0.00    +0.011 A 
ENDBRANCH   6  13
BRANCH   8  23
ATOM     23  C   LIG    1        2.875  -0.738   0.062  0.00  0.00    +0.112 C 
ATOM     24  C   LIG    1        3.643  -0.192  -1.144  0.00  0.00    +0.055 C 
ATOM     25  C   LIG    1        5.130  -0.466  -0.977  0.00  0.00    +0.162 C 
ATOM     26  O   LIG    1        5.601   0.071   0.259  0.00  0.00    -0.380 OA
ATOM     27  C   LIG    1        4.979  -0.542   1.389  0.00  0.00    +0.162 C 
ATOM     28  C   LIG    1        3.485  -0.259   1.382  0.00  0.00    +0.055 C 
ENDBRANCH   8  23
TORSDOF 2