REMARK  Name = BDB020526
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.380  -0.279  -0.371  0.00  0.00    +0.154 A 
ATOM      2  N   LIG    1        2.460   0.206   0.498  0.00  0.00    -0.236 NA
ATOM      3  C   LIG    1        1.168   0.257   0.093  0.00  0.00    +0.122 A 
ATOM      4  C   LIG    1        0.697  -0.171  -1.157  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        1.674  -0.674  -2.042  0.00  0.00    -0.012 A 
ATOM      6  C   LIG    1        1.290  -1.125  -3.316  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -0.043  -1.081  -3.721  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -1.015  -0.592  -2.853  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -0.663  -0.141  -1.572  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        3.021  -0.723  -1.643  0.00  0.00    +0.056 A 
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -1.711   0.353  -0.699  0.00  0.00    +0.094 A 
ATOM     12  C   LIG    1       -2.811  -0.356  -0.266  0.00  0.00    +0.064 A 
ATOM     13  C   LIG    1       -3.309  -1.727  -0.461  0.00  0.00    +0.163 C 
ATOM     14  N   LIG    1       -3.984  -2.167   0.755  0.00  0.00    -0.297 N 
ATOM     15  C   LIG    1       -4.809  -1.317   1.489  0.00  0.00    +0.238 C 
ATOM     16  C   LIG    1       -4.745   0.182   1.183  0.00  0.00    +0.171 C 
ATOM     17  C   LIG    1       -5.955   0.580   0.344  0.00  0.00    +0.041 C 
ATOM     18  O   LIG    1       -5.599  -1.736   2.339  0.00  0.00    -0.273 OA
ATOM     19  C   LIG    1       -4.117  -3.600   0.943  0.00  0.00    +0.132 C 
ATOM     20  N   LIG    1       -3.502   0.526   0.519  0.00  0.00    -0.318 N 
ATOM     21  C   LIG    1       -2.801   1.696   0.571  0.00  0.00    +0.114 A 
ATOM     22  N   LIG    1       -1.713   1.619  -0.166  0.00  0.00    -0.232 NA
BRANCH  21  23
ATOM     23  C   LIG    1       -3.188   2.959   1.391  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -4.150   3.951   0.792  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -2.699   4.307   0.928  0.00  0.00    +0.012 C 
ENDBRANCH  21  23
ENDBRANCH   9  11
BRANCH   1  31
ATOM     26  C   LIG    1        8.368  -0.972  -0.169  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1        6.961  -0.636   0.147  0.00  0.00    -0.010 A 
ATOM     28  C   LIG    1        6.445  -0.100   1.351  0.00  0.00    +0.063 A 
ATOM     29  C   LIG    1        7.189   0.256   2.585  0.00  0.00    +0.068 C 
ATOM     30  N   LIG    1        5.124   0.082   1.292  0.00  0.00    -0.170 NA
ATOM     31  N   LIG    1        4.753  -0.330   0.051  0.00  0.00    -0.221 N 
ATOM     32  C   LIG    1        5.853  -0.772  -0.662  0.00  0.00    +0.119 A 
ENDBRANCH   1  31
TORSDOF 3