REMARK  Name = BDB056740
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.914   0.023   1.198  0.00  0.00    +0.133 A 
ATOM      2  C   LIG    1       -1.028  -0.930   0.678  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1       -0.165  -0.508  -0.342  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -0.155   0.800  -0.816  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1        0.781   0.956  -1.803  0.00  0.00    -0.229 NA
ATOM      6  C   LIG    1        1.369  -0.219  -1.942  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1       -1.033   1.746  -0.267  0.00  0.00    +0.033 A 
ATOM      8  N   LIG    1        0.799  -1.144  -1.090  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1        1.151  -2.541  -0.995  0.00  0.00    +0.150 C 
ATOM     10  C   LIG    1       -1.909   1.347   0.750  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1       -2.744  -0.397   2.217  0.00  0.00    -0.436 OA
BRANCH  11  17
ATOM     12  C   LIG    1       -8.216   0.719   1.643  0.00  0.00    +0.045 C 
ATOM     13  C   LIG    1       -6.755   0.412   1.737  0.00  0.00    -0.029 A 
ATOM     14  C   LIG    1       -6.180  -0.615   0.984  0.00  0.00    +0.048 A 
ATOM     15  C   LIG    1       -4.827  -0.889   1.128  0.00  0.00    +0.185 A 
ATOM     16  F   LIG    1       -4.272  -1.883   0.421  0.00  0.00    -0.200 F 
ATOM     17  C   LIG    1       -4.082  -0.126   2.020  0.00  0.00    +0.256 A 
ATOM     18  N   LIG    1       -4.612   0.854   2.792  0.00  0.00    -0.218 NA
ATOM     19  C   LIG    1       -5.933   1.098   2.630  0.00  0.00    +0.118 A 
ENDBRANCH  11  17
ENDBRANCH   1  11
BRANCH   6  20
ATOM     20  C   LIG    1        2.482  -0.542  -2.893  0.00  0.00    +0.303 C 
BRANCH  20  21
ATOM     21  O   LIG    1        3.362   0.581  -3.017  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1        4.339   0.764  -2.078  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1        4.506   0.026  -0.909  0.00  0.00    +0.060 A 
ATOM     24  C   LIG    1        5.548   0.340  -0.027  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1        6.447   1.372  -0.321  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1        6.277   2.113  -1.488  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        5.223   1.812  -2.355  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1        5.683  -0.474   1.200  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1        5.503  -1.679   1.218  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1        5.976   0.260   2.293  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1        5.897   1.224   2.163  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 7