REMARK  Name = BDB057044
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.517  -0.561   0.432  0.00  0.00    -0.296 N 
ATOM      2  H   LIG    1        1.522  -1.071   1.304  0.00  0.00    +0.151 HD
ATOM      3  C   LIG    1        2.781  -0.219  -0.016  0.00  0.00    +0.304 C 
ATOM      4  N   LIG    1        3.684  -1.212   0.301  0.00  0.00    -0.269 N 
ATOM      5  H   LIG    1        3.268  -2.096   0.551  0.00  0.00    +0.156 HD
ATOM      6  O   LIG    1        3.015   0.821  -0.614  0.00  0.00    -0.253 OA
ENDROOT
BRANCH   1  10
ATOM      7  N   LIG    1       -2.401   0.797  -0.545  0.00  0.00    -0.298 NA
ATOM      8  C   LIG    1       -1.996   0.851   0.868  0.00  0.00    +0.086 C 
ATOM      9  C   LIG    1       -0.785  -0.045   1.124  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1        0.389   0.346   0.226  0.00  0.00    +0.077 C 
ATOM     11  C   LIG    1       -0.066   0.351  -1.236  0.00  0.00    +0.038 C 
ATOM     12  C   LIG    1       -1.301   1.229  -1.421  0.00  0.00    +0.086 C 
BRANCH   7  13
ATOM     13  C   LIG    1       -3.596   1.625  -0.795  0.00  0.00    +0.119 C 
BRANCH  13  17
ATOM     14  C   LIG    1       -6.928  -2.116  -0.157  0.00  0.00    +0.044 C 
ATOM     15  C   LIG    1       -6.458  -0.729   0.169  0.00  0.00    -0.050 A 
ATOM     16  C   LIG    1       -5.293  -0.220  -0.420  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1       -4.854   1.085  -0.145  0.00  0.00    -0.033 A 
ATOM     18  C   LIG    1       -5.612   1.887   0.718  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -6.782   1.393   1.296  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -7.205   0.093   1.019  0.00  0.00    +0.003 A 
ENDBRANCH  13  17
ENDBRANCH   7  13
ENDBRANCH   1  10
BRANCH   4  21
ATOM     21  C   LIG    1        5.077  -1.201   0.098  0.00  0.00    +0.035 A 
ATOM     22  C   LIG    1        5.796  -0.068  -0.293  0.00  0.00    +0.035 A 
ATOM     23  C   LIG    1        7.191  -0.121  -0.466  0.00  0.00    +0.057 A 
ATOM     24  C   LIG    1        7.860  -1.334  -0.249  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        7.151  -2.466   0.148  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        5.768  -2.397   0.324  0.00  0.00    +0.023 A 
BRANCH  23  27
ATOM     27  C   LIG    1        7.942   1.109  -0.909  0.00  0.00    +0.417 C 
ATOM     28  F   LIG    1        7.817   1.345  -2.244  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        7.524   2.245  -0.283  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        9.284   1.033  -0.672  0.00  0.00    -0.166 F 
ENDBRANCH  23  27
ENDBRANCH   4  21
TORSDOF 5