REMARK  Name = BDB032061
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.552  -0.699   2.181  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1        1.421  -0.829   1.112  0.00  0.00    -0.282 N 
ATOM      3  H   LIG    1        1.175  -1.492   0.380  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.680   0.093   3.113  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.591  -0.082   0.853  0.00  0.00    +0.069 A 
ATOM      6  C   LIG    1        3.279  -0.369  -0.334  0.00  0.00    +0.146 A 
ATOM      7  F   LIG    1        2.808  -1.325  -1.152  0.00  0.00    -0.204 F 
ATOM      8  C   LIG    1        4.442   0.306  -0.694  0.00  0.00    +0.059 A 
ATOM      9  C   LIG    1        4.943   1.297   0.149  0.00  0.00    +0.055 A 
ATOM     10  C   LIG    1        4.271   1.596   1.341  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1        3.100   0.909   1.691  0.00  0.00    +0.027 A 
BRANCH   9  12
ATOM     12  C   LIG    1        6.139   2.004  -0.201  0.00  0.00    +0.099 C 
ATOM     13  N   LIG    1        7.109   2.574  -0.487  0.00  0.00    -0.191 NA
ENDBRANCH   9  12
ENDBRANCH   2   5
BRANCH   1  14
ATOM     14  C   LIG    1       -0.602  -1.686   2.173  0.00  0.00    +0.217 C 
BRANCH  14  22
ATOM     15  C   LIG    1       -4.462   1.962  -1.768  0.00  0.00    +0.152 C 
ATOM     16  N   LIG    1       -3.637   0.997  -1.061  0.00  0.00    -0.318 N 
ATOM     17  C   LIG    1       -3.398  -0.263  -1.663  0.00  0.00    +0.260 A 
ATOM     18  O   LIG    1       -3.839  -0.605  -2.756  0.00  0.00    -0.267 OA
ATOM     19  C   LIG    1       -2.558  -1.144  -0.860  0.00  0.00    +0.064 A 
ATOM     20  C   LIG    1       -2.077  -2.458  -1.064  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1       -1.321  -2.791   0.044  0.00  0.00    +0.087 A 
ATOM     22  N   LIG    1       -1.319  -1.715   0.908  0.00  0.00    -0.338 N 
ATOM     23  C   LIG    1       -2.081  -0.720   0.362  0.00  0.00    +0.056 A 
ATOM     24  C   LIG    1       -2.344   0.543   0.931  0.00  0.00    +0.044 A 
ATOM     25  C   LIG    1       -3.118   1.357   0.189  0.00  0.00    +0.091 A 
ENDBRANCH  14  22
ENDBRANCH   1  14
TORSDOF 4