REMARK  Name = BDB059029
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.660   1.293  -1.566  0.00  0.00    +0.164 A 
ATOM      2  C   LIG    1       -0.150   1.713  -2.607  0.00  0.00    +0.181 A 
ATOM      3  F   LIG    1        0.355   2.094  -3.789  0.00  0.00    -0.200 F 
ATOM      4  C   LIG    1       -1.499   1.738  -2.372  0.00  0.00    +0.156 A 
ATOM      5  N   LIG    1       -2.046   1.376  -1.197  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1       -1.204   0.984  -0.233  0.00  0.00    +0.217 A 
ATOM      7  N   LIG    1        0.127   0.923  -0.384  0.00  0.00    -0.196 NA
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1        2.059   1.222  -1.800  0.00  0.00    -0.297 N 
ATOM      9  H   LIG    1        2.354   2.011  -2.367  0.00  0.00    +0.154 HD
BRANCH   8  14
ATOM     10  C   LIG    1        5.249  -0.312   0.553  0.00  0.00    +0.138 A 
ATOM     11  C   LIG    1        3.938  -0.765   0.758  0.00  0.00    +0.084 A 
ATOM     12 CL   LIG    1        3.579  -1.969   1.950  0.00  0.00    -0.080 Cl
ATOM     13  C   LIG    1        2.875  -0.264  -0.004  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        3.084   0.718  -0.975  0.00  0.00    +0.034 A 
ATOM     15  C   LIG    1        4.403   1.141  -1.198  0.00  0.00    +0.027 A 
ATOM     16  C   LIG    1        5.472   0.643  -0.440  0.00  0.00    +0.049 A 
BRANCH  10  18
ATOM     17  C   LIG    1        7.556  -0.384   1.170  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        6.227  -0.857   1.343  0.00  0.00    -0.494 OA
ENDBRANCH  10  18
ENDBRANCH   8  14
ENDBRANCH   1   8
BRANCH   6  19
ATOM     19  N   LIG    1       -1.666   0.610   1.013  0.00  0.00    -0.311 N 
ATOM     20  H   LIG    1       -0.893   0.140   1.471  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.960  -0.047   1.166  0.00  0.00    +0.073 C 
ATOM     22  C   LIG    1       -3.124  -1.277   0.267  0.00  0.00    +0.022 C 
ATOM     23  C   LIG    1       -4.418  -2.034   0.576  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -5.580  -1.127   0.986  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -5.404   0.303   0.495  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1       -4.136   0.941   1.067  0.00  0.00    +0.022 C 
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 5