REMARK  Name = BDB017268
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.712  -1.450   1.068  0.00  0.00    +0.168 C 
ATOM      2  O   LIG    1        0.656  -1.556   2.293  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.856  -0.674   0.496  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1        2.442   0.318   1.294  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1        3.517   1.087   0.820  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        4.018   0.848  -0.480  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        5.093   1.617  -0.955  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1        5.668   2.612  -0.156  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1        5.172   2.845   1.128  0.00  0.00    +0.019 A 
ATOM     10  C   LIG    1        3.432  -0.156  -1.267  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        4.103   2.087   1.612  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        2.362  -0.914  -0.784  0.00  0.00    +0.012 A 
BRANCH   8  13
ATOM     13  C   LIG    1        6.765   3.389  -0.656  0.00  0.00    +0.099 C 
ATOM     14  N   LIG    1        7.651   4.016  -1.065  0.00  0.00    -0.191 NA
ENDBRANCH   8  13
ENDBRANCH   1   3
BRANCH   1  17
ATOM     15  C   LIG    1       -0.735  -4.391   1.157  0.00  0.00    +0.008 C 
ATOM     16  C   LIG    1       -1.312  -2.996   0.908  0.00  0.00    -0.001 C 
ATOM     17  C   LIG    1       -0.311  -2.103   0.127  0.00  0.00    +0.077 C 
ATOM     18  C   LIG    1       -1.037  -1.042  -0.738  0.00  0.00    +0.096 C 
ATOM     19  N   LIG    1       -2.290  -0.597  -0.122  0.00  0.00    -0.299 NA
ATOM     20  C   LIG    1       -3.266  -1.697  -0.028  0.00  0.00    +0.085 C 
ATOM     21  C   LIG    1       -2.632  -3.084   0.141  0.00  0.00    +0.019 C 
BRANCH  19  22
ATOM     22  C   LIG    1       -2.865   0.599  -0.754  0.00  0.00    +0.057 C 
ATOM     23  C   LIG    1       -4.140   1.111  -0.068  0.00  0.00    +0.019 C 
ATOM     24  C   LIG    1       -4.316   2.520  -0.621  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1       -2.908   3.020  -0.932  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1       -1.971   1.844  -0.670  0.00  0.00    +0.019 C 
ENDBRANCH  19  22
ENDBRANCH   1  17
TORSDOF 4