REMARK  Name = BDB051807
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.730  -1.059   1.191  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -1.030  -2.123   0.349  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -0.135  -3.092   0.113  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -2.274  -2.195  -0.267  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -3.235  -1.210  -0.019  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.966  -0.143   0.854  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -1.695  -0.079   1.453  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        0.503  -1.096   3.132  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.555  -1.001   1.906  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1        1.741  -0.807   1.191  0.00  0.00    -0.297 N 
ATOM     11  C   LIG    1        2.989  -1.068   1.898  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1        4.136  -0.186   1.419  0.00  0.00    +0.038 C 
ATOM     13  C   LIG    1        4.309  -0.263  -0.110  0.00  0.00    +0.060 C 
ATOM     14  C   LIG    1        2.966   0.127  -0.758  0.00  0.00    +0.038 C 
ATOM     15  C   LIG    1        1.825  -0.761  -0.267  0.00  0.00    +0.109 C 
BRANCH  13  16
ATOM     16  N   LIG    1        5.412   0.612  -0.563  0.00  0.00    -0.299 NA
ATOM     17  C   LIG    1        6.718   0.245   0.006  0.00  0.00    +0.085 C 
ATOM     18  C   LIG    1        7.755   0.824  -0.951  0.00  0.00    +0.017 C 
ATOM     19  C   LIG    1        6.962   1.308  -2.152  0.00  0.00    +0.017 C 
ATOM     20  C   LIG    1        5.618   0.616  -2.015  0.00  0.00    +0.085 C 
ENDBRANCH  13  16
ENDBRANCH   1   9
BRANCH   6  21
ATOM     21  C   LIG    1       -3.963   0.956   1.178  0.00  0.00    +0.090 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -5.417   0.657   0.893  0.00  0.00    +0.046 A 
ATOM     23  N   LIG    1       -6.034   0.914  -0.360  0.00  0.00    -0.296 N 
ATOM     24  C   LIG    1       -7.395   0.645  -0.531  0.00  0.00    +0.114 A 
ATOM     25  C   LIG    1       -7.775   0.978  -1.817  0.00  0.00    +0.054 A 
ATOM     26  C   LIG    1       -6.629   1.455  -2.475  0.00  0.00    +0.078 A 
ATOM     27 CL   LIG    1       -6.604   1.976  -4.094  0.00  0.00    -0.080 Cl
ATOM     28  C   LIG    1       -8.200   0.102   0.537  0.00  0.00    +0.273 A 
ATOM     29  O   LIG    1       -9.395  -0.161   0.444  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -7.512  -0.112   1.712  0.00  0.00    -0.326 N 
ATOM     31  H   LIG    1       -8.065  -0.492   2.473  0.00  0.00    +0.168 HD
ATOM     32  C   LIG    1       -5.587   1.400  -1.579  0.00  0.00    +0.133 A 
ATOM     33 CL   LIG    1       -3.958   1.830  -1.879  0.00  0.00    -0.062 Cl
ATOM     34  C   LIG    1       -6.178   0.157   1.891  0.00  0.00    +0.108 A 
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 4