REMARK  Name = BDB017031
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.047  -0.074  -0.778  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1       -0.797   1.280  -0.886  0.00  0.00    -0.234 NA
ATOM      3  C   LIG    1        0.455   1.375  -1.274  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1        1.027   0.144  -1.423  0.00  0.00    -0.332 N 
ATOM      5  C   LIG    1        0.081  -0.794  -1.118  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1       -4.589  -0.401   0.345  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1       -3.386   0.188  -0.043  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1       -2.323  -0.643  -0.367  0.00  0.00    +0.091 A 
ATOM      9  N   LIG    1       -2.409  -2.000  -0.321  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1       -3.586  -2.538   0.058  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1       -4.696  -1.790   0.398  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1       -6.854  -0.044   1.056  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1       -5.777   0.403   0.709  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -5.560   1.726   0.622  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1       -6.412   2.130   0.886  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  C   LIG    1        2.380  -0.118  -1.879  0.00  0.00    +0.157 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.401   0.198  -0.814  0.00  0.00    -0.028 A 
ATOM     18  C   LIG    1        4.259   1.302  -0.955  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        5.202   1.594   0.032  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1        5.289   0.787   1.159  0.00  0.00    +0.123 A 
ATOM     21  F   LIG    1        6.195   1.069   2.104  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1        4.450  -0.309   1.320  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1        3.507  -0.605   0.335  0.00  0.00    +0.008 A 
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 5