REMARK  Name = BDB061072
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.394   3.119   1.757  0.00  0.00    -0.273 OA
ATOM      2  C   LIG    1       -2.206   2.330   1.270  0.00  0.00    +0.240 C 
ATOM      3  C   LIG    1       -1.951   1.536  -0.017  0.00  0.00    +0.217 C 
ATOM      4  C   LIG    1       -1.437   0.142   0.405  0.00  0.00    +0.148 C 
ATOM      5  N   LIG    1       -0.046   0.196  -0.038  0.00  0.00    -0.254 N 
ATOM      6  C   LIG    1        0.134   1.369  -0.701  0.00  0.00    +0.186 C 
ATOM      7  C   LIG    1        0.665  -0.973  -0.012  0.00  0.00    +0.189 C 
ATOM      8  N   LIG    1        0.117  -2.156  -0.095  0.00  0.00    -0.226 NA
ATOM      9  C   LIG    1       -1.240  -2.171  -0.332  0.00  0.00    +0.120 C 
ATOM     10  C   LIG    1       -2.052  -1.103  -0.180  0.00  0.00    +0.001 C 
ATOM     11  C   LIG    1       -3.476  -1.177  -0.575  0.00  0.00    -0.015 A 
ATOM     12  C   LIG    1       -4.560  -0.755   0.221  0.00  0.00    -0.038 A 
ATOM     13  C   LIG    1       -5.875  -0.880  -0.283  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -6.122  -1.399  -1.552  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -5.059  -1.798  -2.346  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -4.421  -0.138   1.596  0.00  0.00    +0.054 C 
ATOM     17  C   LIG    1       -4.548   1.392   1.544  0.00  0.00    +0.109 C 
ATOM     18  C   LIG    1       -3.755  -1.685  -1.863  0.00  0.00    +0.008 A 
ATOM     19  N   LIG    1       -0.851   2.210  -0.802  0.00  0.00    -0.261 NA
ATOM     20  N   LIG    1       -3.353   2.093   1.977  0.00  0.00    -0.313 N 
ATOM     21  H   LIG    1       -3.427   2.696   2.791  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   7  22
ATOM     22  N   LIG    1        2.024  -0.889   0.083  0.00  0.00    -0.312 N 
ATOM     23  H   LIG    1        2.403  -1.833   0.109  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1        2.663  -0.047   1.083  0.00  0.00    +0.142 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.156  -0.176   0.981  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1        4.871   0.264  -0.130  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        4.390   0.855  -1.402  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1        5.724   1.337  -1.971  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1        6.798   0.580  -1.367  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1        6.250   0.114  -0.201  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1        6.981  -0.471   0.813  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1        6.290  -0.908   1.942  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1        4.898  -0.757   2.018  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1        4.270  -1.196   3.118  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   7  22
TORSDOF 3