REMARK  Name = BDB039627
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.663   0.890  -0.285  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        2.178   1.862  -1.282  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        1.029   2.725  -0.707  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.138   1.980  -0.185  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.252   0.618   0.250  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.706   0.504   0.766  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.594  -0.540  -0.440  0.00  0.00    +0.160 A 
ATOM      8  C   LIG    1        5.873  -0.667   0.737  0.00  0.00    +0.156 A 
ATOM      9  F   LIG    1        6.397  -1.224   1.840  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        4.561  -0.193   0.794  0.00  0.00    +0.065 A 
ATOM     11  C   LIG    1        3.959   0.410  -0.316  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1        4.778   0.483  -1.451  0.00  0.00    +0.134 A 
ATOM     13  N   LIG    1        6.057   0.036  -1.546  0.00  0.00    -0.246 NA
BRANCH   7  17
ATOM     14  C   LIG    1        9.960  -2.087   0.489  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.582  -1.666   0.512  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        8.081  -1.706   1.392  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        8.012  -1.025  -0.578  0.00  0.00    +0.265 C 
ATOM     18  O   LIG    1        8.639  -0.852  -1.621  0.00  0.00    -0.268 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.233   1.937  -1.169  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.527   1.407  -0.595  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -3.160   0.299  -1.170  0.00  0.00    +0.153 A 
ATOM     22  F   LIG    1       -2.609  -0.309  -2.233  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1       -4.358  -0.190  -0.654  0.00  0.00    +0.104 A 
ATOM     24  N   LIG    1       -4.983  -1.308  -1.239  0.00  0.00    -0.317 N 
ATOM     25  H   LIG    1       -4.556  -1.756  -2.042  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1       -6.166  -1.850  -0.786  0.00  0.00    +0.275 A 
ATOM     27  C   LIG    1       -6.743  -1.188   0.351  0.00  0.00    +0.135 A 
ATOM     28  N   LIG    1       -6.138  -0.100   0.923  0.00  0.00    -0.225 N 
ATOM     29  N   LIG    1       -6.818   0.390   1.980  0.00  0.00    -0.174 NA
ATOM     30  C   LIG    1       -7.881  -0.413   2.071  0.00  0.00    +0.139 A 
ATOM     31  C   LIG    1       -7.894  -1.423   1.082  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -8.908  -2.484   0.877  0.00  0.00    +0.048 C 
ATOM     33  O   LIG    1       -6.657  -2.827  -1.343  0.00  0.00    -0.266 OA
ATOM     34  C   LIG    1       -4.932   0.441   0.451  0.00  0.00    +0.092 A 
ATOM     35  C   LIG    1       -4.329   1.550   1.044  0.00  0.00    +0.030 A 
ATOM     36  C   LIG    1       -3.127   2.030   0.516  0.00  0.00    +0.010 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4