REMARK  Name = BDB035120
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.792   0.598  -0.077  0.00  0.00    -0.299 NA
ATOM      2  C   LIG    1        0.224   0.452  -1.143  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1        1.585  -0.153  -0.718  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1        2.174   0.585   0.411  0.00  0.00    -0.324 N 
ATOM      5  C   LIG    1        1.232   1.298   1.291  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1       -0.157   0.619   1.261  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.546   0.694   0.581  0.00  0.00    +0.084 A 
ATOM      8  C   LIG    1        4.167   1.694   1.351  0.00  0.00    +0.148 A 
ATOM      9  F   LIG    1        3.432   2.643   1.955  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        5.545   1.778   1.510  0.00  0.00    +0.073 A 
ATOM     11  C   LIG    1        6.318   0.829   0.877  0.00  0.00    +0.128 A 
ATOM     12  N   LIG    1        5.803  -0.172   0.117  0.00  0.00    -0.248 NA
ATOM     13  C   LIG    1        4.449  -0.204   0.000  0.00  0.00    +0.137 A 
BRANCH  11  14
ATOM     14  C   LIG    1        7.808   0.868   1.008  0.00  0.00    +0.263 C 
ATOM     15  N   LIG    1        8.456  -0.134   0.312  0.00  0.00    -0.307 N 
ATOM     16  H   LIG    1        7.863  -0.784  -0.197  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1        8.367   1.725   1.683  0.00  0.00    -0.269 OA
BRANCH  15  18
ATOM     18  C   LIG    1        9.872  -0.281   0.290  0.00  0.00    +0.073 C 
ATOM     19  C   LIG    1       10.671   0.216  -0.882  0.00  0.00    +0.024 C 
ATOM     20  C   LIG    1       10.527  -1.259  -0.645  0.00  0.00    +0.024 C 
ENDBRANCH  15  18
ENDBRANCH  11  14
ENDBRANCH   4   7
BRANCH   1  21
ATOM     21  C   LIG    1       -1.853  -0.418  -0.134  0.00  0.00    +0.093 C 
BRANCH  21  31
ATOM     22  C   LIG    1       -7.718  -0.767   0.276  0.00  0.00    +0.012 C 
ATOM     23  C   LIG    1       -7.216  -2.163   0.005  0.00  0.00    +0.240 C 
ATOM     24  O   LIG    1       -7.871  -3.161   0.283  0.00  0.00    -0.271 OA
ATOM     25  N   LIG    1       -5.975  -2.277  -0.571  0.00  0.00    -0.306 N 
ATOM     26  H   LIG    1       -5.630  -3.230  -0.574  0.00  0.00    +0.149 HD
ATOM     27  C   LIG    1       -5.052  -1.166  -0.517  0.00  0.00    +0.102 C 
ATOM     28  C   LIG    1       -5.742   0.130  -0.960  0.00  0.00    +0.148 C 
ATOM     29  N   LIG    1       -4.885   1.296  -0.753  0.00  0.00    -0.286 NA
ATOM     30  C   LIG    1       -3.615   1.143  -0.933  0.00  0.00    +0.083 C 
ATOM     31  C   LIG    1       -2.883  -0.154  -1.257  0.00  0.00    +0.046 C 
ATOM     32  C   LIG    1       -3.833  -1.352  -1.407  0.00  0.00    +0.035 C 
ATOM     33  C   LIG    1       -7.022   0.289  -0.195  0.00  0.00    +0.010 C 
BRANCH  22  35
ATOM     34  C   LIG    1       -9.556   0.683   1.367  0.00  0.00    +0.009 C 
ATOM     35  C   LIG    1       -9.015  -0.706   1.048  0.00  0.00    +0.037 C 
ENDBRANCH  22  35
ENDBRANCH  21  31
ENDBRANCH   1  21
TORSDOF 6