REMARK  Name = BDB052334
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.210  -1.173  -0.813  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1        0.404  -0.072  -0.519  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1       -0.961  -0.082  -0.840  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -1.545  -1.195  -1.455  0.00  0.00    +0.003 A 
ATOM      5  C   LIG    1       -0.729  -2.289  -1.766  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1        0.634  -2.278  -1.449  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        2.869   0.562   0.903  0.00  0.00    -0.252 OA
ATOM      8  C   LIG    1        3.335  -0.355   0.240  0.00  0.00    +0.308 C 
ATOM      9  N   LIG    1        2.591  -1.234  -0.535  0.00  0.00    -0.269 N 
ATOM     10  H   LIG    1        3.054  -2.091  -0.792  0.00  0.00    +0.156 HD
ATOM     11  N   LIG    1        4.683  -0.674   0.154  0.00  0.00    -0.269 N 
ATOM     12  H   LIG    1        4.944  -1.266  -0.619  0.00  0.00    +0.156 HD
BRANCH  11  13
ATOM     13  C   LIG    1        5.750  -0.101   0.877  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1        5.583   0.768   1.956  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        6.695   1.285   2.629  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        7.983   0.932   2.233  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        8.161   0.059   1.163  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        7.050  -0.457   0.490  0.00  0.00    +0.023 A 
ENDBRANCH  11  13
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -2.973  -1.225  -1.787  0.00  0.00    +0.100 A 
ATOM     20  C   LIG    1       -4.081  -0.678  -1.064  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1       -5.190  -0.992  -1.819  0.00  0.00    +0.114 A 
ATOM     22  N   LIG    1       -4.727  -1.666  -2.904  0.00  0.00    -0.284 N 
ATOM     23  H   LIG    1       -5.261  -2.050  -3.677  0.00  0.00    +0.188 HD
ATOM     24  N   LIG    1       -3.400  -1.842  -2.904  0.00  0.00    -0.173 NA
BRANCH  20  25
ATOM     25  C   LIG    1       -4.162  -0.013   0.217  0.00  0.00    -0.002 A 
ATOM     26  C   LIG    1       -4.742   1.268   0.320  0.00  0.00    +0.026 A 
ATOM     27  C   LIG    1       -4.776   1.837   1.590  0.00  0.00    +0.139 A 
ATOM     28  N   LIG    1       -5.364   3.068   1.490  0.00  0.00    -0.346 N 
ATOM     29  H   LIG    1       -5.503   3.683   2.278  0.00  0.00    +0.167 HD
ATOM     30  C   LIG    1       -5.706   3.317   0.186  0.00  0.00    +0.085 A 
ATOM     31  N   LIG    1       -4.318   1.310   2.740  0.00  0.00    -0.237 NA
ATOM     32  C   LIG    1       -3.765   0.087   2.579  0.00  0.00    +0.114 A 
ATOM     33  C   LIG    1       -5.329   2.221  -0.563  0.00  0.00    +0.029 A 
ATOM     34  C   LIG    1       -3.662  -0.605   1.380  0.00  0.00    +0.029 A 
ENDBRANCH  20  25
ENDBRANCH   4  19
TORSDOF 4