REMARK  Name = BDB017032
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.956   0.262  -0.814  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1        0.850   1.554  -0.339  0.00  0.00    -0.234 NA
ATOM      3  C   LIG    1       -0.401   1.903  -0.548  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1       -1.108   0.892  -1.135  0.00  0.00    -0.332 N 
ATOM      5  C   LIG    1       -0.256  -0.160  -1.321  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        4.492  -0.778  -0.229  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1        3.342   0.011  -0.240  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1        2.182  -0.525  -0.781  0.00  0.00    +0.091 A 
ATOM      9  N   LIG    1        2.124  -1.781  -1.298  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1        3.253  -2.518  -1.272  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1        4.452  -2.068  -0.755  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        5.853   0.905   0.824  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        5.730  -0.207   0.348  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        6.766  -1.063   0.301  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        7.500  -0.558   0.710  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  C   LIG    1       -2.501   0.952  -1.538  0.00  0.00    +0.160 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.418   0.670  -0.381  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1       -3.983   1.724   0.342  0.00  0.00    +0.128 A 
ATOM     19  F   LIG    1       -3.714   2.990  -0.009  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1       -4.823   1.492   1.427  0.00  0.00    +0.039 A 
ATOM     21  C   LIG    1       -5.107   0.182   1.809  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1       -4.548  -0.884   1.105  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.705  -0.644   0.016  0.00  0.00    +0.008 A 
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 5