REMARK  Name = BDB031108
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.521  -0.407  -1.033  0.00  0.00    +0.094 A 
ATOM      2  N   LIG    1        1.507   0.392  -0.586  0.00  0.00    -0.213 NA
ATOM      3  C   LIG    1        2.719  -0.155  -0.459  0.00  0.00    +0.216 A 
ATOM      4  N   LIG    1        3.002  -1.426  -0.767  0.00  0.00    -0.223 NA
ATOM      5  C   LIG    1        1.993  -2.186  -1.229  0.00  0.00    +0.116 A 
ATOM      6  C   LIG    1        0.712  -1.723  -1.385  0.00  0.00    +0.050 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -4.547  -0.525   0.279  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1       -4.269   0.517  -0.536  0.00  0.00    +0.092 A 
ATOM      9  C   LIG    1       -2.934   0.741  -0.983  0.00  0.00    +0.142 A 
ATOM     10  N   LIG    1       -1.952  -0.158  -0.570  0.00  0.00    -0.298 N 
ATOM     11  C   LIG    1       -0.766   0.251  -1.156  0.00  0.00    +0.092 A 
ATOM     12  C   LIG    1       -1.096   1.416  -1.825  0.00  0.00    +0.141 A 
ATOM     13  C   LIG    1       -2.225  -1.227   0.285  0.00  0.00    +0.097 A 
ATOM     14  N   LIG    1       -2.434   1.694  -1.739  0.00  0.00    -0.235 NA
ATOM     15  C   LIG    1       -3.484  -1.424   0.712  0.00  0.00    +0.064 A 
BRANCH   7  16
ATOM     16  O   LIG    1       -5.765  -0.883   0.797  0.00  0.00    -0.489 OA
BRANCH  16  18
ATOM     17  C   LIG    1       -7.908  -0.330   1.659  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -6.925  -0.090   0.516  0.00  0.00    +0.167 C 
ATOM     19  C   LIG    1       -7.546  -0.522  -0.808  0.00  0.00    +0.051 C 
ENDBRANCH  16  18
ENDBRANCH   7  16
ENDBRANCH   1  11
BRANCH   3  20
ATOM     20  N   LIG    1        3.706   0.690   0.027  0.00  0.00    -0.307 N 
ATOM     21  H   LIG    1        3.326   1.624  -0.089  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        5.043   0.488  -0.564  0.00  0.00    +0.121 C 
ATOM     23  C   LIG    1        5.849  -0.585   0.196  0.00  0.00    +0.189 C 
ATOM     24  F   LIG    1        6.596  -1.294  -0.707  0.00  0.00    -0.243 F 
ATOM     25  C   LIG    1        6.819  -0.006   1.225  0.00  0.00    +0.054 C 
ATOM     26  C   LIG    1        6.270   1.272   1.841  0.00  0.00    +0.084 C 
ATOM     27  N   LIG    1        6.053   2.337   0.854  0.00  0.00    -0.314 NA
ATOM     28  H   LIG    1        5.246   2.885   1.153  0.00  0.00    +0.122 HD
ATOM     29  C   LIG    1        5.821   1.824  -0.507  0.00  0.00    +0.106 C 
ENDBRANCH  20  22
ENDBRANCH   3  20
TORSDOF 5