REMARK  Name = BDB040135
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.205   0.180  -0.386  0.00  0.00    -0.031 A 
ATOM      2  C   LIG    1       -0.015  -0.501  -0.541  0.00  0.00    +0.048 A 
ATOM      3  C   LIG    1       -1.208   0.047  -0.083  0.00  0.00    +0.129 A 
ATOM      4  N   LIG    1       -1.236   1.247   0.540  0.00  0.00    -0.236 NA
ATOM      5  C   LIG    1       -0.085   1.935   0.718  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1        1.131   1.421   0.266  0.00  0.00    +0.028 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.443  -0.608  -0.236  0.00  0.00    -0.248 N 
ATOM      8  C   LIG    1       -2.694  -1.814  -0.873  0.00  0.00    +0.253 C 
ATOM      9  O   LIG    1       -1.947  -2.583  -1.448  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1       -4.138  -2.056  -0.755  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1       -4.876  -3.127  -1.221  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1       -6.249  -3.117  -0.977  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -6.845  -2.049  -0.280  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -6.081  -0.963   0.190  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1       -4.712  -0.991  -0.064  0.00  0.00    -0.006 A 
ATOM     16  C   LIG    1       -3.650  -0.001   0.300  0.00  0.00    +0.151 C 
BRANCH  14  17
ATOM     17  C   LIG    1       -6.708   0.184   0.935  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1       -6.189   0.334   2.185  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1       -8.053   0.061   1.099  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -6.514   1.376   0.306  0.00  0.00    -0.166 F 
ENDBRANCH  14  17
ENDBRANCH   3   7
BRANCH   1  21
ATOM     21  C   LIG    1        2.601  -0.437  -0.902  0.00  0.00    +0.049 C 
ATOM     22  C   LIG    1        3.517   0.541  -1.695  0.00  0.00    +0.174 C 
ATOM     23  O   LIG    1        3.802  -0.479  -2.682  0.00  0.00    -0.378 OA
ATOM     24  C   LIG    1        2.595  -1.188  -2.273  0.00  0.00    +0.174 C 
BRANCH  21  25
ATOM     25  C   LIG    1        3.317  -1.121   0.284  0.00  0.00    +0.092 C 
BRANCH  25  28
ATOM     26  C   LIG    1        6.412  -1.031  -0.407  0.00  0.00    +0.151 C 
ATOM     27  N   LIG    1        5.561  -2.186  -0.341  0.00  0.00    -0.320 N 
ATOM     28  C   LIG    1        4.225  -2.257  -0.040  0.00  0.00    +0.134 A 
ATOM     29  N   LIG    1        3.862  -3.526  -0.068  0.00  0.00    -0.135 NA
ATOM     30  N   LIG    1        4.955  -4.284  -0.406  0.00  0.00    -0.138 NA
ATOM     31  C   LIG    1        5.965  -3.466  -0.573  0.00  0.00    +0.224 A 
ENDBRANCH  25  28
ENDBRANCH  21  25
ENDBRANCH   1  21
BRANCH   5  32
ATOM     32  C   LIG    1       -0.273   3.308   1.457  0.00  0.00    +0.038 C 
ATOM     33  C   LIG    1        0.613   3.623   2.697  0.00  0.00    +0.010 C 
ATOM     34  C   LIG    1        0.583   5.100   2.257  0.00  0.00    +0.001 C 
ATOM     35  C   LIG    1        0.332   4.594   0.822  0.00  0.00    +0.010 C 
ENDBRANCH   5  32
TORSDOF 6