REMARK  Name = BDB056716
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.540  -0.703   1.332  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -0.043  -0.317   0.033  0.00  0.00    -0.328 N 
ATOM      3  C   LIG    1        1.212   0.186  -0.226  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        1.216   0.397  -1.602  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1        2.363   0.918  -2.221  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        3.483   1.210  -1.433  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        3.461   0.972  -0.056  0.00  0.00    +0.133 A 
ATOM      8  N   LIG    1        0.015   0.042  -2.158  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1        2.317   0.476   0.583  0.00  0.00    +0.074 A 
ATOM     10  C   LIG    1       -0.741  -0.371  -1.156  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   7  11
ATOM     11  O   LIG    1        4.537   1.276   0.753  0.00  0.00    -0.436 OA
BRANCH  11  12
ATOM     12  C   LIG    1        5.735   0.719   0.354  0.00  0.00    +0.256 A 
ATOM     13  C   LIG    1        5.983  -0.633   0.564  0.00  0.00    +0.185 A 
ATOM     14  F   LIG    1        5.070  -1.437   1.127  0.00  0.00    -0.200 F 
ATOM     15  C   LIG    1        7.215  -1.150   0.188  0.00  0.00    +0.045 A 
ATOM     16  C   LIG    1        8.162  -0.297  -0.372  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1        7.835   1.044  -0.527  0.00  0.00    +0.115 A 
ATOM     18  N   LIG    1        6.645   1.577  -0.172  0.00  0.00    -0.219 NA
ENDBRANCH  11  12
ENDBRANCH   7  11
BRANCH  10  19
ATOM     19  C   LIG    1       -2.150  -0.856  -1.283  0.00  0.00    +0.303 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -2.952  -0.059  -0.410  0.00  0.00    -0.484 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -4.291  -0.330  -0.373  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1       -5.020   0.484   0.497  0.00  0.00    +0.060 A 
ATOM     23  C   LIG    1       -6.403   0.313   0.627  0.00  0.00    +0.062 A 
ATOM     24  C   LIG    1       -7.056  -0.693  -0.087  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1       -6.329  -1.504  -0.957  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -4.950  -1.320  -1.105  0.00  0.00    +0.046 A 
BRANCH  23  27
ATOM     27  C   LIG    1       -7.197   1.160   1.544  0.00  0.00    +0.337 C 
ATOM     28  O   LIG    1       -8.094   0.722   2.243  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -6.854   2.463   1.491  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1       -6.237   2.695   0.771  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  23  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  10  19
TORSDOF 7