REMARK  Name = BDB047457
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.010  -0.319  -0.282  0.00  0.00    -0.300 N 
ATOM      2  C   LIG    1        0.658  -1.430   0.253  0.00  0.00    +0.058 A 
ATOM      3  C   LIG    1        1.973  -1.409  -0.231  0.00  0.00    +0.045 A 
ATOM      4  C   LIG    1        2.853  -2.456   0.126  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1        2.404  -3.489   0.949  0.00  0.00    +0.042 A 
ATOM      6  C   LIG    1        1.095  -3.515   1.405  0.00  0.00    +0.022 A 
ATOM      7 CL   LIG    1        3.484  -4.756   1.385  0.00  0.00    -0.084 Cl
ATOM      8  C   LIG    1        2.087  -0.253  -1.046  0.00  0.00    +0.168 A 
ATOM      9  C   LIG    1        0.201  -2.499   1.053  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1        0.875   0.406  -1.072  0.00  0.00    +0.175 A 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -4.154   0.524   0.257  0.00  0.00    -0.042 A 
ATOM     12  C   LIG    1       -3.338   0.154   1.338  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1       -1.976  -0.124   1.164  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -1.397  -0.035  -0.103  0.00  0.00    +0.048 A 
ATOM     15  C   LIG    1       -2.186   0.338  -1.194  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1       -3.546   0.609  -1.011  0.00  0.00    +0.006 A 
BRANCH  11  18
ATOM     17  C   LIG    1       -6.170   0.699   1.865  0.00  0.00    +0.015 C 
ATOM     18  C   LIG    1       -5.654   0.834   0.415  0.00  0.00    -0.013 C 
ATOM     19  C   LIG    1       -6.479  -0.139  -0.455  0.00  0.00    +0.015 C 
ATOM     20  C   LIG    1       -5.936   2.283  -0.037  0.00  0.00    +0.015 C 
ENDBRANCH  11  18
ENDBRANCH   1  14
BRANCH  10  21
ATOM     21  C   LIG    1        0.614   1.651  -1.731  0.00  0.00    +0.358 C 
ATOM     22  O   LIG    1        0.918   1.980  -2.867  0.00  0.00    -0.243 OA
BRANCH  21  23
ATOM     23  O   LIG    1        0.004   2.526  -0.907  0.00  0.00    -0.476 OA
ATOM     24  H   LIG    1       -0.089   3.331  -1.456  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  10  21
BRANCH   8  25
ATOM     25  O   LIG    1        3.157   0.208  -1.736  0.00  0.00    -0.453 OA
BRANCH  25  26
ATOM     26  C   LIG    1        4.424   0.145  -1.213  0.00  0.00    +0.129 A 
ATOM     27  C   LIG    1        4.714   0.548   0.094  0.00  0.00    +0.058 A 
ATOM     28  C   LIG    1        6.030   0.483   0.577  0.00  0.00    +0.058 A 
ATOM     29  C   LIG    1        7.048   0.040  -0.282  0.00  0.00    +0.012 A 
ATOM     30  C   LIG    1        6.757  -0.337  -1.595  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        5.445  -0.277  -2.062  0.00  0.00    +0.046 A 
BRANCH  28  32
ATOM     32  C   LIG    1        6.347   0.926   1.983  0.00  0.00    +0.418 C 
ATOM     33  F   LIG    1        5.338   0.674   2.863  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        7.450   0.317   2.502  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1        6.587   2.264   2.062  0.00  0.00    -0.166 F 
ENDBRANCH  28  32
ENDBRANCH  25  26
ENDBRANCH   8  25
TORSDOF 7