REMARK  Name = BDB019552
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.202  -0.207   0.456  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -0.651  -1.152  -0.130  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -1.897  -0.776  -0.651  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1       -2.276   0.574  -0.576  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -1.455   1.535   0.037  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -0.206   1.131   0.542  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.779  -1.774  -1.272  0.00  0.00    -0.006 A 
ATOM      8  C   LIG    1       -3.941  -2.266  -0.633  0.00  0.00    +0.062 A 
ATOM      9  C   LIG    1       -4.741  -3.217  -1.298  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -4.399  -3.683  -2.567  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -3.254  -3.207  -3.193  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -2.452  -2.263  -2.551  0.00  0.00    +0.009 A 
BRANCH   8  13
ATOM     13  C   LIG    1       -4.352  -1.793   0.744  0.00  0.00    +0.418 C 
ATOM     14  F   LIG    1       -4.750  -0.488   0.752  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -5.406  -2.490   1.260  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -3.363  -1.895   1.673  0.00  0.00    -0.166 F 
ENDBRANCH   8  13
ENDBRANCH   3   7
BRANCH   1  18
ATOM     17  O   LIG    1        1.667  -1.868   1.261  0.00  0.00    -0.270 OA
ATOM     18  C   LIG    1        1.510  -0.682   0.992  0.00  0.00    +0.244 C 
ATOM     19  N   LIG    1        2.509   0.260   1.121  0.00  0.00    -0.307 N 
ATOM     20  H   LIG    1        2.400   1.167   0.694  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1        3.844  -0.113   1.533  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.735  -0.315   0.333  0.00  0.00    -0.029 A 
ATOM     23  C   LIG    1        5.532   0.732  -0.154  0.00  0.00    +0.026 A 
ATOM     24  C   LIG    1        6.335   0.548  -1.286  0.00  0.00    +0.060 A 
ATOM     25 CL   LIG    1        7.285   1.889  -1.821  0.00  0.00    -0.082 Cl
ATOM     26  C   LIG    1        6.343  -0.687  -1.944  0.00  0.00    +0.059 A 
ATOM     27 CL   LIG    1        7.306  -0.983  -3.347  0.00  0.00    -0.082 Cl
ATOM     28  C   LIG    1        5.547  -1.731  -1.468  0.00  0.00    +0.022 A 
ATOM     29  C   LIG    1        4.745  -1.545  -0.340  0.00  0.00    +0.007 A 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   1  18
BRANCH   5  30
ATOM     30  C   LIG    1       -1.914   2.975   0.094  0.00  0.00    +0.157 C 
BRANCH  30  31
ATOM     31  N   LIG    1       -1.683   3.591   1.389  0.00  0.00    -0.332 N 
ATOM     32  C   LIG    1       -0.821   4.621   1.639  0.00  0.00    +0.199 A 
ATOM     33  N   LIG    1       -0.831   4.957   2.909  0.00  0.00    -0.244 NA
ATOM     34  C   LIG    1       -1.754   4.128   3.495  0.00  0.00    +0.130 A 
ATOM     35  C   LIG    1       -2.305   3.277   2.566  0.00  0.00    +0.107 A 
ENDBRANCH  30  31
ENDBRANCH   5  30
TORSDOF 7