REMARK  Name = BDB018809
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.271  -0.312  -0.417  0.00  0.00    +0.241 C 
ATOM      2  N   LIG    1       -0.936   0.075  -0.404  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        0.172  -0.792  -0.503  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        1.366  -0.065  -0.466  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        2.601  -0.707  -0.532  0.00  0.00    -0.009 A 
ATOM      6  C   LIG    1        2.617  -2.102  -0.650  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        1.419  -2.828  -0.692  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.095   1.397  -0.292  0.00  0.00    +0.057 C 
ATOM      9  C   LIG    1        0.187  -2.173  -0.616  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -0.432   1.458  -0.384  0.00  0.00    +0.118 C 
ATOM     11  O   LIG    1       -2.646  -1.485  -0.492  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1        3.840   0.033  -0.481  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1        4.758  -0.028   0.549  0.00  0.00    +0.146 A 
ATOM     14  N   LIG    1        5.763   0.828   0.204  0.00  0.00    -0.273 N 
ATOM     15  H   LIG    1        6.611   1.042   0.723  0.00  0.00    +0.189 HD
ATOM     16  N   LIG    1        5.559   1.453  -0.968  0.00  0.00    -0.181 NA
ATOM     17  C   LIG    1        4.391   0.961  -1.389  0.00  0.00    +0.143 A 
BRANCH  13  18
ATOM     18  C   LIG    1        4.816  -0.770   1.815  0.00  0.00    +0.434 C 
ATOM     19  F   LIG    1        3.723  -0.554   2.586  0.00  0.00    -0.164 F 
ATOM     20  F   LIG    1        5.895  -0.398   2.554  0.00  0.00    -0.164 F 
ATOM     21  F   LIG    1        4.921  -2.106   1.619  0.00  0.00    -0.164 F 
ENDBRANCH  13  18
ENDBRANCH   5  12
BRANCH   1  23
ATOM     22  N   LIG    1       -4.655   0.470  -0.802  0.00  0.00    -0.258 N 
ATOM     23  C   LIG    1       -3.304   0.822  -0.267  0.00  0.00    +0.170 C 
ATOM     24  C   LIG    1       -3.566   1.121   1.210  0.00  0.00    +0.034 C 
ATOM     25  C   LIG    1       -4.662   0.133   1.570  0.00  0.00    +0.022 C 
ATOM     26  C   LIG    1       -5.545   0.102   0.330  0.00  0.00    +0.117 C 
BRANCH  22  28
ATOM     27  N   LIG    1       -5.104  -0.069  -3.197  0.00  0.00    -0.174 NA
ATOM     28  C   LIG    1       -4.896   0.162  -2.082  0.00  0.00    +0.170 C 
ENDBRANCH  22  28
ENDBRANCH   1  23
TORSDOF 4