REMARK  Name = BDB040781
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.323  -1.257  -0.567  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -0.564  -0.422   0.485  0.00  0.00    +0.129 C 
ATOM      3  N   LIG    1        0.605  -0.573  -0.345  0.00  0.00    -0.326 N 
ATOM      4  C   LIG    1        0.077  -1.748  -0.988  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.943  -0.334   0.024  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        2.260   0.571   1.041  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1        3.589   0.808   1.391  0.00  0.00    +0.132 A 
ATOM      8  F   LIG    1        3.842   1.693   2.367  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1        4.649   0.165   0.751  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        4.322  -0.716  -0.279  0.00  0.00    +0.132 A 
ATOM     11  F   LIG    1        5.291  -1.335  -0.967  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1        2.998  -0.965  -0.642  0.00  0.00    +0.062 A 
BRANCH   9  13
ATOM     13  C   LIG    1        6.073   0.464   1.171  0.00  0.00    +0.111 C 
ATOM     14  C   LIG    1        6.986  -0.755   1.150  0.00  0.00    +0.227 C 
ATOM     15  O   LIG    1        6.843  -1.698   1.927  0.00  0.00    -0.275 OA
ATOM     16  N   LIG    1        7.968  -0.785   0.191  0.00  0.00    -0.256 N 
ATOM     17  H   LIG    1        8.542  -1.618   0.180  0.00  0.00    +0.157 HD
ATOM     18  C   LIG    1        8.110   0.040  -0.895  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1        8.922  -0.212  -1.781  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1        7.175   1.221  -0.975  0.00  0.00    +0.097 C 
ATOM     21  C   LIG    1        6.693   1.637   0.405  0.00  0.00    +0.027 C 
ENDBRANCH   9  13
ENDBRANCH   3   5
BRANCH   1  22
ATOM     22  N   LIG    1       -1.962  -0.454  -1.581  0.00  0.00    -0.292 N 
ATOM     23  H   LIG    1       -1.310   0.146  -2.083  0.00  0.00    +0.151 HD
BRANCH  22  26
ATOM     24  C   LIG    1       -5.145   0.319  -0.627  0.00  0.00    +0.250 A 
ATOM     25  O   LIG    1       -4.027  -0.471  -0.511  0.00  0.00    -0.405 OA
ATOM     26  C   LIG    1       -3.185   0.085  -1.431  0.00  0.00    +0.308 A 
ATOM     27  N   LIG    1       -3.718   1.114  -2.049  0.00  0.00    -0.092 NA
ATOM     28  N   LIG    1       -4.986   1.269  -1.528  0.00  0.00    -0.106 NA
BRANCH  24  31
ATOM     29  C   LIG    1       -7.607   2.047  -0.536  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1       -7.446   0.799   0.293  0.00  0.00    -0.038 A 
ATOM     31  C   LIG    1       -6.282  -0.004   0.240  0.00  0.00    +0.041 A 
ATOM     32  C   LIG    1       -6.228  -1.153   1.056  0.00  0.00    +0.013 A 
ATOM     33  C   LIG    1       -7.287  -1.503   1.897  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1       -8.425  -0.709   1.942  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -8.505   0.432   1.146  0.00  0.00    +0.004 A 
ENDBRANCH  24  31
ENDBRANCH  22  26
ENDBRANCH   1  22
TORSDOF 5