REMARK  Name = BDB017159
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.295   0.418  -1.291  0.00  0.00    +0.167 C 
ATOM      2  O   LIG    1        0.115   0.476  -2.507  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1        6.710  -0.556  -0.482  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        5.668  -0.572   0.447  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        4.340  -0.333   0.045  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        4.059  -0.074  -1.315  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        2.734   0.164  -1.714  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        1.681   0.153  -0.786  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1        1.964  -0.108   0.557  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        5.113  -0.061  -2.239  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        3.281  -0.347   0.966  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        6.424  -0.300  -1.823  0.00  0.00    +0.046 A 
BRANCH   3  14
ATOM     13  C   LIG    1        8.383  -1.041   1.139  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        8.033  -0.772  -0.213  0.00  0.00    -0.495 OA
ENDBRANCH   3  14
ENDBRANCH   1   8
BRANCH   1  15
ATOM     15  C   LIG    1       -0.848   0.626  -0.299  0.00  0.00    +0.074 C 
ATOM     16  C   LIG    1       -2.204   0.494  -1.012  0.00  0.00    +0.095 C 
ATOM     17  N   LIG    1       -3.364   0.632  -0.109  0.00  0.00    -0.301 NA
ATOM     18  C   LIG    1       -3.125   1.554   1.012  0.00  0.00    +0.084 C 
ATOM     19  C   LIG    1       -2.091   2.627   0.678  0.00  0.00    +0.016 C 
ATOM     20  C   LIG    1       -0.729   2.000   0.380  0.00  0.00    +0.014 C 
BRANCH  17  21
ATOM     21  C   LIG    1       -3.877  -0.675   0.333  0.00  0.00    +0.088 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -5.247  -0.559   1.015  0.00  0.00    +0.003 C 
ATOM     23  C   LIG    1       -5.988  -1.905   1.230  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -6.766  -1.627  -0.070  0.00  0.00    +0.001 C 
ATOM     25  C   LIG    1       -6.448  -0.134   0.128  0.00  0.00    +0.005 C 
ENDBRANCH  21  22
ENDBRANCH  17  21
ENDBRANCH   1  15
TORSDOF 5