REMARK  Name = BDB063873
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.401  -3.415  -1.778  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.255  -2.293  -1.336  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.266  -1.381  -0.738  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.550  -1.735  -0.610  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.659  -0.190  -0.398  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.585  -0.347  -0.736  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -0.879  -1.551  -1.274  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.757  -1.861  -1.646  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.639  -0.915  -0.054  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.925  -1.065  -0.599  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.986  -0.316  -0.059  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.800   0.563   1.011  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.937   1.231   1.437  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        7.960   0.864   0.700  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        4.511   0.693   1.559  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        7.644  -0.286  -0.528  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        3.448  -0.050   1.026  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -1.520   0.624  -0.568  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1       -1.133   1.415  -0.056  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.943   0.407  -0.366  0.00  0.00    +0.078 C 
ATOM     21  C   LIG    1       -3.710   1.698  -0.688  0.00  0.00    +0.097 C 
ATOM     22  C   LIG    1       -4.976   1.848   0.140  0.00  0.00    +0.251 C 
ATOM     23  F   LIG    1       -5.856   2.638  -0.523  0.00  0.00    -0.206 F 
ATOM     24  F   LIG    1       -4.676   2.498   1.296  0.00  0.00    -0.206 F 
ATOM     25  C   LIG    1       -5.630   0.524   0.483  0.00  0.00    +0.075 C 
ATOM     26  C   LIG    1       -4.694  -0.380   1.287  0.00  0.00    +0.008 C 
ATOM     27  C   LIG    1       -3.210  -0.081   1.060  0.00  0.00    +0.022 C 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3