REMARK  Name = BDB001973
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.523   1.494  -0.901  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        0.415   1.068  -0.176  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1        0.333  -0.209   0.545  0.00  0.00    +0.123 C 
ATOM      4  C   LIG    1       -1.097  -0.783   0.594  0.00  0.00    +0.103 C 
ATOM      5  N   LIG    1       -2.043   0.173   1.151  0.00  0.00    -0.295 NA
ATOM      6  C   LIG    1       -1.840   1.579   0.807  0.00  0.00    +0.103 C 
ATOM      7  C   LIG    1       -0.835   1.812  -0.338  0.00  0.00    +0.123 C 
ATOM      8  O   LIG    1        1.482   2.410  -1.719  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      9  C   LIG    1        4.746  -0.305  -1.625  0.00  0.00    +0.124 A 
ATOM     10  C   LIG    1        3.512   0.323  -1.795  0.00  0.00    +0.059 A 
ATOM     11  C   LIG    1        2.821   0.817  -0.688  0.00  0.00    +0.044 A 
ATOM     12  C   LIG    1        3.377   0.721   0.588  0.00  0.00    +0.059 A 
ATOM     13  C   LIG    1        4.611   0.094   0.767  0.00  0.00    +0.124 A 
ATOM     14  C   LIG    1        5.291  -0.425  -0.341  0.00  0.00    +0.091 A 
BRANCH   9  16
ATOM     15  C   LIG    1        6.611  -1.335  -2.692  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1        5.312  -0.763  -2.784  0.00  0.00    -0.495 OA
ENDBRANCH   9  16
BRANCH  13  17
ATOM     17  O   LIG    1        5.038   0.050   2.066  0.00  0.00    -0.495 OA
ATOM     18  C   LIG    1        6.324  -0.508   2.308  0.00  0.00    +0.277 C 
ENDBRANCH  13  17
ENDBRANCH   1  11
BRANCH   5  19
ATOM     19  C   LIG    1       -3.403  -0.276   1.409  0.00  0.00    +0.120 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.444  -0.166   0.299  0.00  0.00    -0.022 A 
ATOM     21  C   LIG    1       -5.828  -0.176   0.627  0.00  0.00    +0.059 A 
ATOM     22  C   LIG    1       -6.790  -0.090  -0.400  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1       -6.407  -0.017  -1.736  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -5.059  -0.033  -2.065  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.091  -0.112  -1.061  0.00  0.00    +0.005 A 
BRANCH  21  26
ATOM     26  C   LIG    1       -6.308  -0.262   2.062  0.00  0.00    +0.418 C 
ATOM     27  F   LIG    1       -7.651  -0.470   2.177  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1       -6.051   0.874   2.768  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1       -5.723  -1.278   2.756  0.00  0.00    -0.166 F 
ENDBRANCH  21  26
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 6