REMARK  Name = BDB020864
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.401   0.100   0.213  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1        0.705   1.316  -0.039  0.00  0.00    +0.172 A 
ATOM      3  N   LIG    1       -0.628   1.226  -0.358  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -1.051   2.514  -0.517  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.044   3.340  -0.345  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.318   0.011  -0.465  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.674  -1.103  -0.236  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.067   2.584  -0.041  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.665  -1.028   0.091  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1        7.233   1.806  -0.527  0.00  0.00    +0.109 C 
ATOM     11  C   LIG    1        6.984   0.713   0.481  0.00  0.00    +0.212 C 
ATOM     12  N   LIG    1        5.981  -0.208   0.191  0.00  0.00    -0.301 N 
ATOM     13  C   LIG    1        4.977  -0.017  -0.854  0.00  0.00    +0.112 C 
ATOM     14  C   LIG    1        3.761   0.784  -0.374  0.00  0.00    +0.054 C 
ATOM     15  C   LIG    1        2.828   0.037   0.564  0.00  0.00    -0.038 C 
ATOM     16  C   LIG    1        3.228  -0.595   1.688  0.00  0.00    -0.021 C 
ATOM     17  C   LIG    1        4.633  -0.717   2.217  0.00  0.00    +0.046 C 
ATOM     18  C   LIG    1        5.667  -1.211   1.203  0.00  0.00    +0.112 C 
ATOM     19  O   LIG    1        7.665   0.651   1.506  0.00  0.00    -0.276 OA
ENDBRANCH   1  15
BRANCH   6  20
ATOM     20  N   LIG    1       -2.655   0.028  -0.803  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -2.999   0.827  -1.323  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.356  -1.202  -1.135  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.830  -0.929  -1.206  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -5.599  -0.697  -0.070  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -5.197  -0.617   1.356  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -6.581  -0.641   2.005  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -7.561  -0.190   1.041  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -6.955  -0.413  -0.167  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -7.608  -0.345  -1.381  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -6.861  -0.581  -2.534  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -5.492  -0.867  -2.440  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1       -4.802  -1.067  -3.572  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 4