REMARK  Name = BDB053571
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.550  -0.058  -0.615  0.00  0.00    -0.047 A 
ATOM      2  C   LIG    1       -0.114  -1.271  -0.796  0.00  0.00    +0.005 A 
ATOM      3  C   LIG    1       -1.514  -1.337  -0.733  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1       -2.299  -0.200  -0.482  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -1.610   1.010  -0.297  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -0.211   1.082  -0.360  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -3.727  -0.271  -0.418  0.00  0.00    -0.202 N 
ATOM      8  C   LIG    1       -4.566   0.801  -0.173  0.00  0.00    +0.258 C 
ATOM      9  O   LIG    1       -4.348   1.981   0.040  0.00  0.00    -0.269 OA
ATOM     10  C   LIG    1       -5.934   0.297  -0.196  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -5.879  -1.054  -0.450  0.00  0.00    +0.050 A 
ATOM     12  C   LIG    1       -7.021  -1.829  -0.534  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1       -8.249  -1.187  -0.351  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -8.306   0.197  -0.091  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -7.135   0.957  -0.011  0.00  0.00    +0.014 A 
ATOM     16  C   LIG    1       -4.474  -1.422  -0.591  0.00  0.00    +0.258 C 
ATOM     17  O   LIG    1       -4.161  -2.577  -0.818  0.00  0.00    -0.269 OA
ENDBRANCH   4   7
BRANCH   1  18
ATOM     18  C   LIG    1        2.055   0.012  -0.661  0.00  0.00    +0.040 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.673  -0.228   0.719  0.00  0.00    +0.040 C 
BRANCH  19  23
ATOM     20  C   LIG    1        6.975  -0.004   0.561  0.00  0.00    +0.059 A 
ATOM     21  C   LIG    1        6.332  -1.222   0.329  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1        4.939  -1.295   0.391  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        4.181  -0.151   0.677  0.00  0.00    -0.047 A 
ATOM     24  C   LIG    1        4.834   1.073   0.882  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        6.227   1.150   0.823  0.00  0.00    +0.015 A 
BRANCH  20  27
ATOM     26  O   LIG    1        9.100  -0.558  -0.350  0.00  0.00    -0.245 OA
ATOM     27  C   LIG    1        8.453   0.040   0.491  0.00  0.00    +0.337 C 
BRANCH  27  28
ATOM     28  O   LIG    1        9.003   0.773   1.482  0.00  0.00    -0.477 OA
ATOM     29  H   LIG    1        8.374   1.045   2.176  0.00  0.00    +0.295 HD
ENDBRANCH  27  28
ENDBRANCH  20  27
ENDBRANCH  19  23
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 6