REMARK  Name = BDB057861
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.463  -0.326   0.088  0.00  0.00    +0.163 A 
ATOM      2  N   LIG    1       -4.083  -0.578  -1.070  0.00  0.00    -0.227 NA
ATOM      3  C   LIG    1       -3.317  -0.767  -2.146  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -1.919  -0.710  -2.100  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1       -1.174  -0.948  -3.284  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -1.815  -1.218  -4.491  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.202  -1.257  -4.531  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -1.367  -0.421  -0.839  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1       -3.935  -1.034  -3.362  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -2.134  -0.253   0.252  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -5.524   0.569   1.276  0.00  0.00    +0.065 A 
ATOM     12  C   LIG    1       -4.305  -0.152   1.284  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -3.890  -0.735   2.502  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -4.656  -0.636   3.665  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -5.861   0.051   3.641  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -6.292   0.649   2.458  0.00  0.00    +0.013 A 
BRANCH  11  18
ATOM     17  F   LIG    1       -5.072   1.974  -0.634  0.00  0.00    -0.166 F 
ATOM     18  C   LIG    1       -6.032   1.277   0.036  0.00  0.00    +0.418 C 
ATOM     19  F   LIG    1       -6.627   0.446  -0.862  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -6.987   2.213   0.333  0.00  0.00    -0.166 F 
ENDBRANCH  11  18
ENDBRANCH   1  12
BRANCH   8  21
ATOM     21  N   LIG    1        0.035  -0.338  -0.700  0.00  0.00    -0.324 N 
ATOM     22  H   LIG    1        0.398   0.313  -1.391  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        0.499   0.014   0.636  0.00  0.00    +0.138 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.007   0.128   0.612  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        2.800  -1.019   0.481  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        4.195  -0.919   0.445  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1        4.835   0.327   0.535  0.00  0.00    -0.018 A 
ATOM     28  C   LIG    1        4.031   1.471   0.659  0.00  0.00    +0.009 A 
ATOM     29  C   LIG    1        2.635   1.376   0.694  0.00  0.00    +0.006 A 
BRANCH  27  30
ATOM     30  C   LIG    1        6.302   0.431   0.497  0.00  0.00    -0.015 A 
ATOM     31  C   LIG    1        7.043  -0.143  -0.543  0.00  0.00    +0.028 A 
ATOM     32  C   LIG    1        8.423  -0.016  -0.536  0.00  0.00    +0.111 A 
ATOM     33  N   LIG    1        9.114   0.632   0.424  0.00  0.00    -0.263 NA
ATOM     34  C   LIG    1        8.389   1.178   1.422  0.00  0.00    +0.111 A 
ATOM     35  C   LIG    1        7.007   1.107   1.500  0.00  0.00    +0.028 A 
ENDBRANCH  27  30
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   8  21
TORSDOF 6