REMARK  Name = BDB020509
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.172   1.719  -0.116  0.00  0.00    +0.011 A 
ATOM      2  C   LIG    1        1.109   1.103  -0.091  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        2.240   1.884   0.224  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1        3.507   1.282   0.267  0.00  0.00    +0.036 A 
ATOM      5  C   LIG    1        3.639  -0.080   0.007  0.00  0.00    +0.067 A 
ATOM      6  N   LIG    1        2.576  -0.848  -0.309  0.00  0.00    -0.255 NA
ATOM      7  C   LIG    1        2.085   3.255   0.490  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1        0.828   3.856   0.448  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        1.358  -0.252  -0.355  0.00  0.00    +0.120 A 
ATOM     10  C   LIG    1       -0.295   3.092   0.145  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -4.468  -1.857   0.875  0.00  0.00    +0.041 C 
ATOM     12  C   LIG    1       -4.576  -0.480   0.228  0.00  0.00    +0.171 C 
ATOM     13  N   LIG    1       -3.298  -0.033  -0.292  0.00  0.00    -0.318 N 
ATOM     14  C   LIG    1       -2.444   0.762   0.424  0.00  0.00    +0.064 A 
ATOM     15  C   LIG    1       -1.369   0.958  -0.416  0.00  0.00    +0.094 A 
ATOM     16  N   LIG    1       -1.560   0.300  -1.607  0.00  0.00    -0.232 NA
ATOM     17  C   LIG    1       -2.791   1.171   1.795  0.00  0.00    +0.163 C 
ATOM     18  N   LIG    1       -4.232   1.383   1.869  0.00  0.00    -0.297 N 
ATOM     19  C   LIG    1       -4.713   2.230   2.946  0.00  0.00    +0.132 C 
ATOM     20  C   LIG    1       -2.739  -0.277  -1.512  0.00  0.00    +0.114 A 
ATOM     21  C   LIG    1       -5.133   0.518   1.248  0.00  0.00    +0.238 C 
ATOM     22  O   LIG    1       -6.337   0.514   1.517  0.00  0.00    -0.273 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.373  -1.115  -2.659  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -2.469  -1.762  -3.676  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -3.179  -2.608  -2.662  0.00  0.00    +0.012 C 
ENDBRANCH  20  23
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  C   LIG    1        4.942  -0.777   0.033  0.00  0.00    -0.022 C 
ATOM     27  C   LIG    1        5.071  -2.007  -0.835  0.00  0.00    +0.065 C 
ATOM     28  C   LIG    1        6.536  -2.389  -1.034  0.00  0.00    +0.165 C 
ATOM     29  O   LIG    1        7.207  -2.434   0.225  0.00  0.00    -0.375 OA
ATOM     30  C   LIG    1        7.290  -1.142   0.829  0.00  0.00    +0.187 C 
ATOM     31  C   LIG    1        5.987  -0.395   0.794  0.00  0.00    +0.006 C 
ENDBRANCH   5  26
TORSDOF 3