REMARK  Name = BDB030926
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.398   0.257   0.232  0.00  0.00    +0.050 A 
ATOM      2  C   LIG    1        3.676  -0.479   1.207  0.00  0.00    +0.100 A 
ATOM      3  C   LIG    1        2.314  -0.757   0.925  0.00  0.00    +0.061 A 
ATOM      4  C   LIG    1        1.671  -0.351  -0.245  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        0.320  -0.814  -0.179  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1        0.168  -1.458   1.032  0.00  0.00    +0.093 A 
ATOM      7  C   LIG    1        2.408   0.389  -1.184  0.00  0.00    +0.012 A 
ATOM      8  N   LIG    1        1.371  -1.430   1.680  0.00  0.00    -0.360 N 
ATOM      9  H   LIG    1        1.549  -1.848   2.585  0.00  0.00    +0.165 HD
ATOM     10  C   LIG    1        3.756   0.679  -0.937  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -0.775  -0.657  -1.123  0.00  0.00    +0.096 A 
ATOM     12  C   LIG    1       -0.741  -1.174  -2.403  0.00  0.00    +0.085 A 
ATOM     13 CL   LIG    1        0.543  -2.099  -3.067  0.00  0.00    -0.080 Cl
ATOM     14  C   LIG    1       -1.870  -0.931  -3.148  0.00  0.00    +0.136 A 
ATOM     15  N   LIG    1       -2.942  -0.246  -2.696  0.00  0.00    -0.221 NA
ATOM     16  C   LIG    1       -2.880   0.219  -1.442  0.00  0.00    +0.216 A 
ATOM     17  N   LIG    1       -1.836   0.028  -0.629  0.00  0.00    -0.213 NA
BRANCH  16  18
ATOM     18  N   LIG    1       -3.991   0.916  -1.011  0.00  0.00    -0.309 N 
ATOM     19  H   LIG    1       -4.747   0.700  -1.649  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -4.305   0.856   0.417  0.00  0.00    +0.087 C 
ATOM     21  C   LIG    1       -4.774  -0.556   0.851  0.00  0.00    +0.103 C 
ATOM     22  N   LIG    1       -6.055  -0.957   0.244  0.00  0.00    -0.314 NA
ATOM     23  H   LIG    1       -5.940  -0.985  -0.769  0.00  0.00    +0.122 HD
ATOM     24  C   LIG    1       -7.111  -0.004   0.592  0.00  0.00    +0.081 C 
ATOM     25  C   LIG    1       -6.772   1.423   0.164  0.00  0.00    +0.017 C 
ATOM     26  C   LIG    1       -5.418   1.875   0.714  0.00  0.00    +0.025 C 
ENDBRANCH  18  20
ENDBRANCH  16  18
ENDBRANCH   5  11
BRANCH   1  28
ATOM     27  C   LIG    1        6.639   1.256  -0.311  0.00  0.00    +0.404 C 
ATOM     28  N   LIG    1        5.764   0.543   0.460  0.00  0.00    -0.251 N 
ATOM     29  H   LIG    1        6.217   0.163   1.284  0.00  0.00    +0.158 HD
ATOM     30  O   LIG    1        6.427   1.831  -1.367  0.00  0.00    -0.226 OA
BRANCH  27  32
ATOM     31  C   LIG    1        8.877   1.945  -0.385  0.00  0.00    +0.282 C 
ATOM     32  O   LIG    1        7.851   1.232   0.309  0.00  0.00    -0.453 OA
ENDBRANCH  27  32
ENDBRANCH   1  28
BRANCH   2  33
ATOM     33  C   LIG    1        4.294  -0.890   2.516  0.00  0.00    +0.421 C 
ATOM     34  F   LIG    1        5.614  -1.220   2.419  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1        4.230   0.097   3.452  0.00  0.00    -0.166 F 
ATOM     36  F   LIG    1        3.686  -1.972   3.084  0.00  0.00    -0.166 F 
ENDBRANCH   2  33
TORSDOF 6