REMARK  Name = BDB031370
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.620   0.052   1.310  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1       -1.570  -0.767   0.649  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.191  -0.072   0.718  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.156   1.244   0.032  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -1.455   1.949   0.167  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1       -2.314   1.498   1.369  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -6.460  -1.257   0.323  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1       -6.097  -0.032  -0.133  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1       -4.848   0.376   0.196  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1       -4.492   1.571  -0.305  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1       -3.919  -0.358   0.960  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1       -4.360  -1.618   1.394  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -5.638  -2.077   1.080  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1       -9.929  -1.027  -1.162  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1       -8.548  -0.825  -0.819  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1       -8.101   0.072  -0.995  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       -7.843  -1.712  -0.034  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1       -8.284  -2.785   0.361  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1        0.958   2.074   0.521  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.317   1.507   0.179  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        3.248   1.234   1.187  0.00  0.00    +0.153 A 
ATOM     22  F   LIG    1        2.931   1.462   2.471  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1        4.507   0.721   0.880  0.00  0.00    +0.104 A 
ATOM     24  N   LIG    1        5.434   0.446   1.904  0.00  0.00    -0.317 N 
ATOM     25  H   LIG    1        5.181   0.624   2.869  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1        6.696  -0.063   1.679  0.00  0.00    +0.275 A 
ATOM     27  C   LIG    1        7.015  -0.300   0.301  0.00  0.00    +0.132 A 
ATOM     28  N   LIG    1        6.120  -0.035  -0.698  0.00  0.00    -0.225 N 
ATOM     29  N   LIG    1        6.597  -0.322  -1.927  0.00  0.00    -0.171 NA
ATOM     30  C   LIG    1        7.835  -0.783  -1.696  0.00  0.00    +0.061 A 
ATOM     31  C   LIG    1        8.694  -1.210  -2.827  0.00  0.00    +0.067 C 
ATOM     32  C   LIG    1        8.144  -0.789  -0.317  0.00  0.00    +0.058 A 
ATOM     33  O   LIG    1        7.459  -0.282   2.614  0.00  0.00    -0.266 OA
ATOM     34  C   LIG    1        4.838   0.483  -0.456  0.00  0.00    +0.092 A 
ATOM     35  C   LIG    1        3.934   0.749  -1.484  0.00  0.00    +0.030 A 
ATOM     36  C   LIG    1        2.675   1.264  -1.161  0.00  0.00    +0.010 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4