REMARK  Name = BDB018880
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.247  -1.048  -0.622  0.00  0.00    +0.241 C 
ATOM      2  N   LIG    1       -0.908  -1.044  -0.266  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        0.074  -0.036  -0.161  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        0.027   1.309  -0.466  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        1.191   2.039  -0.283  0.00  0.00    +0.113 A 
ATOM      6  N   LIG    1        2.353   1.523   0.175  0.00  0.00    -0.254 NA
ATOM      7  C   LIG    1        2.387   0.205   0.471  0.00  0.00    +0.079 A 
ATOM      8  C   LIG    1        1.270  -0.595   0.306  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        1.115  -2.056   0.579  0.00  0.00    +0.058 C 
ATOM     10  C   LIG    1       -0.257  -2.340  -0.022  0.00  0.00    +0.118 C 
ATOM     11  O   LIG    1       -2.839  -2.130  -0.741  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        3.664  -0.280   0.956  0.00  0.00    +0.050 A 
ATOM     13  C   LIG    1        4.895   0.204   0.546  0.00  0.00    +0.148 A 
ATOM     14  N   LIG    1        5.832  -0.498   1.245  0.00  0.00    -0.273 N 
ATOM     15  H   LIG    1        6.844  -0.412   1.195  0.00  0.00    +0.189 HD
ATOM     16  N   LIG    1        5.307  -1.408   2.081  0.00  0.00    -0.181 NA
ATOM     17  C   LIG    1        3.990  -1.261   1.919  0.00  0.00    +0.144 A 
BRANCH  13  18
ATOM     18  C   LIG    1        5.312   1.233  -0.418  0.00  0.00    +0.434 C 
ATOM     19  F   LIG    1        6.645   1.122  -0.683  0.00  0.00    -0.164 F 
ATOM     20  F   LIG    1        4.682   1.124  -1.613  0.00  0.00    -0.164 F 
ATOM     21  F   LIG    1        5.127   2.493   0.042  0.00  0.00    -0.164 F 
ENDBRANCH  13  18
ENDBRANCH   7  12
BRANCH   1  23
ATOM     22  N   LIG    1       -4.382   0.088  -1.390  0.00  0.00    -0.258 N 
ATOM     23  C   LIG    1       -3.012   0.266  -0.794  0.00  0.00    +0.170 C 
ATOM     24  C   LIG    1       -3.282   0.910   0.572  0.00  0.00    +0.034 C 
ATOM     25  C   LIG    1       -4.616   1.610   0.394  0.00  0.00    +0.022 C 
ATOM     26  C   LIG    1       -5.397   0.637  -0.469  0.00  0.00    +0.117 C 
BRANCH  22  28
ATOM     27  N   LIG    1       -4.859  -0.924  -3.620  0.00  0.00    -0.174 NA
ATOM     28  C   LIG    1       -4.637  -0.478  -2.575  0.00  0.00    +0.170 C 
ENDBRANCH  22  28
ENDBRANCH   1  23
TORSDOF 4