REMARK  Name = BDB062265
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.611   1.156  -0.191  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -2.507   2.195  -0.003  0.00  0.00    +0.177 A 
ATOM      3  O   LIG    1       -3.718   1.826  -0.510  0.00  0.00    -0.354 OA
ATOM      4  N   LIG    1       -3.641   0.570  -1.062  0.00  0.00    -0.077 NA
ATOM      5  C   LIG    1       -2.376   0.170  -0.891  0.00  0.00    +0.122 A 
ENDROOT
BRANCH   5   6
ATOM      6  C   LIG    1       -1.957  -1.135  -1.390  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1       -2.322  -2.313  -0.700  0.00  0.00    +0.065 A 
ATOM      8  C   LIG    1       -1.913  -3.560  -1.212  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -1.147  -3.644  -2.373  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -0.779  -2.482  -3.045  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1       -1.181  -1.233  -2.561  0.00  0.00    +0.051 A 
ATOM     12 CL   LIG    1       -0.678   0.160  -3.460  0.00  0.00    -0.083 Cl
BRANCH   7  13
ATOM     13  C   LIG    1       -3.143  -2.269   0.568  0.00  0.00    +0.418 C 
ATOM     14  F   LIG    1       -4.456  -1.996   0.347  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -2.700  -1.354   1.474  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -3.133  -3.460   1.239  0.00  0.00    -0.166 F 
ENDBRANCH   7  13
ENDBRANCH   5   6
BRANCH   2  17
ATOM     17  C   LIG    1       -2.285   3.583   0.649  0.00  0.00    +0.057 A 
ATOM     18  C   LIG    1       -1.135   4.125   1.170  0.00  0.00    +0.116 A 
ATOM     19  N   LIG    1       -1.478   5.373   1.614  0.00  0.00    -0.284 N 
ATOM     20  H   LIG    1       -0.887   6.067   2.059  0.00  0.00    +0.188 HD
ATOM     21  N   LIG    1       -2.770   5.677   1.411  0.00  0.00    -0.182 NA
ATOM     22  C   LIG    1       -3.261   4.584   0.820  0.00  0.00    +0.145 A 
ENDBRANCH   2  17
BRANCH   1  23
ATOM     23  C   LIG    1       -0.181   1.087   0.224  0.00  0.00    +0.270 C 
BRANCH  23  24
ATOM     24  O   LIG    1        0.329  -0.248   0.179  0.00  0.00    -0.487 OA
BRANCH  24  28
ATOM     25  C   LIG    1        4.372  -1.071   0.775  0.00  0.00    +0.059 A 
ATOM     26  C   LIG    1        3.464  -2.055   0.374  0.00  0.00    +0.018 A 
ATOM     27  C   LIG    1        2.118  -1.730   0.188  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1        1.665  -0.424   0.396  0.00  0.00    +0.121 A 
ATOM     29  C   LIG    1        2.569   0.558   0.801  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1        3.919   0.237   0.989  0.00  0.00    +0.018 A 
BRANCH  25  32
ATOM     31  O   LIG    1        6.258  -2.567   0.791  0.00  0.00    -0.245 OA
ATOM     32  C   LIG    1        5.792  -1.455   0.961  0.00  0.00    +0.337 C 
BRANCH  32  33
ATOM     33  O   LIG    1        6.564  -0.426   1.352  0.00  0.00    -0.477 OA
ATOM     34  H   LIG    1        7.457  -0.822   1.433  0.00  0.00    +0.295 HD
ENDBRANCH  32  33
ENDBRANCH  25  32
ENDBRANCH  24  28
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 8