REMARK  Name = BDB054156
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.431  -1.458   1.078  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1        0.996  -0.349   1.816  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1       -0.064   0.451   1.369  0.00  0.00    +0.045 A 
ATOM      4 CL   LIG    1       -0.497   1.791   2.373  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1       -0.725   0.160   0.164  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1       -0.308  -0.979  -0.551  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.747  -1.776  -0.099  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -1.857   1.024  -0.394  0.00  0.00    +0.042 C 
ATOM      9  C   LIG    1       -3.212   0.250  -0.435  0.00  0.00    +0.029 C 
ATOM     10  C   LIG    1       -3.806   0.206  -1.855  0.00  0.00    +0.024 C 
ATOM     11  C   LIG    1       -3.779   1.549  -2.589  0.00  0.00    +0.081 C 
ATOM     12  N   LIG    1       -2.594   2.367  -2.338  0.00  0.00    -0.315 NA
ATOM     13  H   LIG    1       -2.302   2.830  -3.199  0.00  0.00    +0.122 HD
ATOM     14  C   LIG    1       -1.479   1.605  -1.777  0.00  0.00    +0.089 C 
BRANCH   9  15
ATOM     15  C   LIG    1       -4.232   0.749   0.587  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1       -4.840  -0.170   1.460  0.00  0.00    +0.045 A 
ATOM     17  C   LIG    1       -5.778   0.262   2.395  0.00  0.00    +0.159 A 
ATOM     18  F   LIG    1       -6.346  -0.634   3.215  0.00  0.00    -0.202 F 
ATOM     19  C   LIG    1       -6.126   1.603   2.475  0.00  0.00    +0.158 A 
ATOM     20  F   LIG    1       -7.030   2.014   3.374  0.00  0.00    -0.202 F 
ATOM     21  C   LIG    1       -5.541   2.529   1.622  0.00  0.00    +0.041 A 
ATOM     22  C   LIG    1       -4.599   2.104   0.680  0.00  0.00    +0.007 A 
ENDBRANCH   9  15
ENDBRANCH   5   8
BRANCH   1  24
ATOM     23  C   LIG    1        3.832  -2.248   0.876  0.00  0.00    -0.038 A 
ATOM     24  C   LIG    1        2.578  -2.258   1.533  0.00  0.00    -0.015 A 
ATOM     25  C   LIG    1        2.425  -3.061   2.680  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1        3.476  -3.836   3.171  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        4.705  -3.821   2.524  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        4.883  -3.033   1.388  0.00  0.00    +0.004 A 
BRANCH  23  29
ATOM     29  C   LIG    1        4.108  -1.403  -0.354  0.00  0.00    +0.054 C 
BRANCH  29  30
ATOM     30  C   LIG    1        4.318   0.078  -0.027  0.00  0.00    +0.109 C 
BRANCH  30  33
ATOM     31  C   LIG    1        4.383   2.031  -3.283  0.00  0.00    +0.109 C 
ATOM     32  C   LIG    1        3.795   1.230  -2.152  0.00  0.00    +0.210 C 
ATOM     33  N   LIG    1        4.707   0.850  -1.194  0.00  0.00    -0.315 N 
ATOM     34  H   LIG    1        5.683   1.091  -1.307  0.00  0.00    +0.149 HD
ATOM     35  O   LIG    1        2.602   0.946  -2.112  0.00  0.00    -0.276 OA
ENDBRANCH  30  33
ENDBRANCH  29  30
ENDBRANCH  23  29
ENDBRANCH   1  24
TORSDOF 6