REMARK  Name = BDB046402
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.139  -0.807  -1.440  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1       -1.532  -0.685  -1.199  0.00  0.00    +0.082 A 
ATOM      3  C   LIG    1       -2.380  -1.553  -1.908  0.00  0.00    +0.180 A 
ATOM      4  F   LIG    1       -3.713  -1.472  -1.774  0.00  0.00    -0.201 F 
ATOM      5  C   LIG    1       -1.875  -2.487  -2.811  0.00  0.00    +0.160 A 
ATOM      6  F   LIG    1       -2.711  -3.296  -3.478  0.00  0.00    -0.202 F 
ATOM      7  C   LIG    1       -0.511  -2.591  -3.044  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1        0.362  -1.746  -2.364  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   1  10
ATOM      9  O   LIG    1        0.484   1.245  -0.475  0.00  0.00    -0.268 OA
ATOM     10  C   LIG    1        0.818   0.092  -0.732  0.00  0.00    +0.269 C 
ATOM     11  N   LIG    1        2.033  -0.478  -0.397  0.00  0.00    -0.191 N 
ATOM     12  H   LIG    1        2.067  -1.481  -0.244  0.00  0.00    +0.183 HD
BRANCH  11  13
ATOM     13  O   LIG    1        2.751   0.263   0.578  0.00  0.00    -0.279 OA
BRANCH  13  14
ATOM     14  C   LIG    1        3.776   1.014  -0.080  0.00  0.00    +0.193 C 
BRANCH  14  15
ATOM     15  C   LIG    1        4.560   1.747   0.961  0.00  0.00    +0.017 C 
ATOM     16  C   LIG    1        5.690   1.070   1.695  0.00  0.00    +0.006 C 
ATOM     17  C   LIG    1        5.987   2.159   0.700  0.00  0.00    +0.006 C 
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   1  10
BRANCH   2  18
ATOM     18  N   LIG    1       -2.002   0.237  -0.237  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -1.389   1.058  -0.134  0.00  0.00    +0.152 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.134   0.288   0.601  0.00  0.00    +0.050 A 
ATOM     21  C   LIG    1       -3.596   1.528   1.091  0.00  0.00    +0.063 A 
ATOM     22 CL   LIG    1       -2.766   2.998   0.701  0.00  0.00    -0.082 Cl
ATOM     23  C   LIG    1       -4.731   1.619   1.903  0.00  0.00    +0.036 A 
ATOM     24  C   LIG    1       -5.427   0.461   2.237  0.00  0.00    +0.015 A 
ATOM     25  I   LIG    1       -7.115   0.578   3.442  0.00  0.00    -0.044 I 
ATOM     26  C   LIG    1       -4.994  -0.777   1.768  0.00  0.00    +0.016 A 
ATOM     27  C   LIG    1       -3.857  -0.857   0.955  0.00  0.00    +0.026 A 
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 6