REMARK  Name = BDB063546
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.264  -2.777  -3.302  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -1.799  -2.056  -2.156  0.00  0.00    -0.308 N 
ATOM      3  C   LIG    1       -0.928  -1.618  -1.118  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -1.447  -0.901  -0.026  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1       -0.538  -0.409   0.940  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        0.849  -0.625   0.865  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        1.320  -1.397  -0.190  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -2.915  -0.663   0.077  0.00  0.00    +0.085 A 
ATOM      9  N   LIG    1       -3.416  -0.089   1.248  0.00  0.00    -0.332 N 
ATOM     10  H   LIG    1       -2.813  -0.164   2.059  0.00  0.00    +0.147 HD
ATOM     11  C   LIG    1       -4.295   1.096   1.289  0.00  0.00    +0.146 C 
ATOM     12  C   LIG    1       -5.660   0.877   0.605  0.00  0.00    +0.300 C 
ATOM     13  C   LIG    1       -5.588   0.337  -0.815  0.00  0.00    +0.306 C 
ATOM     14  O   LIG    1       -5.092  -0.999  -0.881  0.00  0.00    -0.479 OA
ATOM     15  F   LIG    1       -6.407   0.023   1.370  0.00  0.00    -0.200 F 
ATOM     16  F   LIG    1       -6.375   2.041   0.602  0.00  0.00    -0.200 F 
ATOM     17  C   LIG    1       -3.708  -1.073  -0.937  0.00  0.00    +0.207 A 
ATOM     18  C   LIG    1        0.451  -1.873  -1.176  0.00  0.00    +0.028 A 
ATOM     19  C   LIG    1       -3.154  -1.768  -2.144  0.00  0.00    +0.295 A 
ATOM     20  O   LIG    1       -3.913  -2.055  -3.072  0.00  0.00    -0.264 OA
ENDROOT
BRANCH  11  21
ATOM     21  C   LIG    1       -3.478   2.305   0.850  0.00  0.00    +0.015 C 
ATOM     22  C   LIG    1       -3.864   3.288  -0.234  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1       -3.945   3.698   1.208  0.00  0.00    +0.006 C 
ENDBRANCH  11  21
BRANCH   6  24
ATOM     24  N   LIG    1        1.672  -0.140   1.901  0.00  0.00    -0.298 N 
ATOM     25  H   LIG    1        1.198   0.515   2.514  0.00  0.00    +0.154 HD
BRANCH  24  26
ATOM     26  C   LIG    1        3.071   0.106   1.924  0.00  0.00    +0.147 A 
ATOM     27  C   LIG    1        3.668   0.459   3.128  0.00  0.00    +0.099 A 
ATOM     28 CL   LIG    1        2.788   0.674   4.590  0.00  0.00    -0.078 Cl
ATOM     29  C   LIG    1        5.028   0.653   3.099  0.00  0.00    +0.137 A 
ATOM     30  N   LIG    1        5.776   0.518   1.988  0.00  0.00    -0.221 NA
ATOM     31  C   LIG    1        5.135   0.173   0.860  0.00  0.00    +0.220 A 
ATOM     32  N   LIG    1        3.808  -0.040   0.803  0.00  0.00    -0.198 NA
BRANCH  31  33
ATOM     33  N   LIG    1        5.880   0.041  -0.315  0.00  0.00    -0.299 N 
ATOM     34  C   LIG    1        7.264  -0.317  -0.376  0.00  0.00    +0.109 C 
ATOM     35  C   LIG    1        7.004  -0.703  -1.838  0.00  0.00    +0.038 C 
ATOM     36  C   LIG    1        5.532  -0.800  -1.419  0.00  0.00    +0.109 C 
ENDBRANCH  31  33
ENDBRANCH  24  26
ENDBRANCH   6  24
TORSDOF 4