REMARK  Name = BDB027721
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.448  -1.214   0.413  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        2.157  -2.358   0.825  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        3.535  -2.330   0.601  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        4.246  -3.447   1.012  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        3.722  -4.556   1.600  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        2.391  -4.560   1.784  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        4.159  -1.295   0.022  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        3.393  -0.270  -0.356  0.00  0.00    +0.166 A 
ATOM      9  C   LIG    1        1.577  -3.504   1.421  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        2.066  -0.187  -0.183  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        4.059   0.846  -0.997  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1        5.441   1.063  -1.285  0.00  0.00    +0.176 A 
ATOM     13  N   LIG    1        5.622   2.254  -1.901  0.00  0.00    -0.169 NA
ATOM     14  N   LIG    1        4.389   2.770  -2.001  0.00  0.00    -0.283 N 
ATOM     15  H   LIG    1        4.282   3.678  -2.443  0.00  0.00    +0.188 HD
ATOM     16  C   LIG    1        3.421   1.973  -1.476  0.00  0.00    +0.117 A 
BRANCH  12  17
ATOM     17  C   LIG    1        6.585   0.133  -0.969  0.00  0.00    +0.437 C 
ATOM     18  F   LIG    1        6.696  -0.115   0.366  0.00  0.00    -0.164 F 
ATOM     19  F   LIG    1        7.794   0.630  -1.356  0.00  0.00    -0.164 F 
ATOM     20  F   LIG    1        6.462  -1.072  -1.590  0.00  0.00    -0.164 F 
ENDBRANCH  12  17
ENDBRANCH   8  11
BRANCH   1  21
ATOM     21  N   LIG    1        0.061  -1.159   0.631  0.00  0.00    -0.321 N 
ATOM     22  H   LIG    1       -0.098  -1.315   1.625  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -0.786  -0.048   0.130  0.00  0.00    +0.051 C 
ATOM     24  C   LIG    1       -0.688   0.104  -1.399  0.00  0.00    +0.033 C 
ATOM     25  C   LIG    1       -0.450   1.275   0.839  0.00  0.00    +0.033 C 
BRANCH  23  26
ATOM     26  C   LIG    1       -2.263  -0.436   0.474  0.00  0.00    +0.185 C 
BRANCH  26  27
ATOM     27  O   LIG    1       -3.184   0.587   0.085  0.00  0.00    -0.375 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -4.540   0.221   0.379  0.00  0.00    +0.194 C 
BRANCH  28  30
ATOM     29  C   LIG    1       -5.154   2.669   0.676  0.00  0.00    +0.043 C 
ATOM     30  C   LIG    1       -5.471   1.367  -0.063  0.00  0.00    +0.084 C 
ATOM     31  C   LIG    1       -6.934   0.979   0.140  0.00  0.00    +0.043 C 
BRANCH  30  32
ATOM     32  O   LIG    1       -5.270   1.600  -1.463  0.00  0.00    -0.387 OA
ATOM     33  H   LIG    1       -4.301   1.634  -1.585  0.00  0.00    +0.210 HD
ENDBRANCH  30  32
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 9