REMARK  Name = BDB057844
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.391  -1.343  -0.608  0.00  0.00    +0.163 A 
ATOM      2  N   LIG    1       -3.526  -0.640  -0.550  0.00  0.00    -0.227 NA
ATOM      3  C   LIG    1       -3.579   0.493  -1.254  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -2.508   0.957  -2.027  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1       -2.656   2.160  -2.765  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -3.842   2.890  -2.715  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -4.892   2.430  -1.933  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -1.350   0.155  -2.002  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1       -4.750   1.240  -1.216  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -1.308  -1.002  -1.321  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -2.881  -2.761   1.443  0.00  0.00    +0.065 A 
ATOM     12  C   LIG    1       -2.333  -2.606   0.147  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -1.705  -3.726  -0.444  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -1.639  -4.961   0.203  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -2.201  -5.110   1.464  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -2.816  -4.021   2.079  0.00  0.00    +0.013 A 
BRANCH  11  18
ATOM     17  F   LIG    1       -2.824  -0.445   2.120  0.00  0.00    -0.166 F 
ATOM     18  C   LIG    1       -3.526  -1.610   2.188  0.00  0.00    +0.418 C 
ATOM     19  F   LIG    1       -4.796  -1.340   1.781  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -3.637  -1.863   3.530  0.00  0.00    -0.166 F 
ENDBRANCH  11  18
ENDBRANCH   1  12
BRANCH   8  21
ATOM     21  N   LIG    1       -0.221   0.550  -2.751  0.00  0.00    -0.324 N 
ATOM     22  H   LIG    1       -0.011   1.519  -2.526  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        0.977  -0.275  -2.630  0.00  0.00    +0.138 C 
BRANCH  23  24
ATOM     24  C   LIG    1        1.877   0.238  -1.529  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        1.797  -0.290  -0.235  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        2.611   0.205   0.788  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1        3.526   1.243   0.551  0.00  0.00    -0.016 A 
ATOM     28  C   LIG    1        3.596   1.770  -0.749  0.00  0.00    +0.009 A 
ATOM     29  C   LIG    1        2.781   1.279  -1.774  0.00  0.00    +0.006 A 
BRANCH  27  30
ATOM     30  C   LIG    1        4.379   1.764   1.628  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        3.854   2.171   2.856  0.00  0.00    +0.119 A 
ATOM     32  N   LIG    1        4.584   2.658   3.890  0.00  0.00    -0.263 NA
ATOM     33  C   LIG    1        5.916   2.748   3.698  0.00  0.00    +0.111 A 
ATOM     34  C   LIG    1        6.548   2.377   2.524  0.00  0.00    +0.020 A 
ATOM     35  C   LIG    1        5.768   1.880   1.481  0.00  0.00    +0.011 A 
ENDBRANCH  27  30
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   8  21
TORSDOF 6