REMARK  Name = BDB017088
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.950  -3.155   3.620  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -1.713  -2.556   2.551  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1       -1.452  -1.356   1.922  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -2.448  -1.260   0.952  0.00  0.00    +0.115 A 
ATOM      5  N   LIG    1       -3.284  -2.362   1.009  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1       -2.816  -3.114   1.975  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.337  -0.483   2.277  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1        0.781  -0.395   1.431  0.00  0.00    +0.058 A 
ATOM      9  C   LIG    1        1.854   0.438   1.758  0.00  0.00    +0.157 A 
ATOM     10  C   LIG    1        1.799   1.165   2.951  0.00  0.00    +0.165 A 
ATOM     11  F   LIG    1        2.818   1.965   3.301  0.00  0.00    -0.202 F 
ATOM     12  C   LIG    1        0.697   1.087   3.799  0.00  0.00    +0.043 A 
ATOM     13  C   LIG    1       -0.376   0.265   3.459  0.00  0.00    +0.013 A 
BRANCH   9  14
ATOM     14  O   LIG    1        2.985   0.612   1.007  0.00  0.00    -0.484 OA
BRANCH  14  15
ATOM     15  C   LIG    1        2.997   0.027  -0.296  0.00  0.00    +0.264 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.273   0.391  -1.022  0.00  0.00    -0.010 A 
ATOM     17  C   LIG    1        5.493   0.510  -0.340  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1        6.669   0.808  -1.031  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        6.642   0.978  -2.413  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        5.440   0.848  -3.106  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        4.263   0.551  -2.416  0.00  0.00    +0.007 A 
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   9  14
ENDBRANCH   3   7
BRANCH   4  22
ATOM     22  C   LIG    1       -2.655  -0.179  -0.014  0.00  0.00    +0.092 A 
ATOM     23  N   LIG    1       -1.752   0.832  -0.042  0.00  0.00    -0.253 NA
ATOM     24  C   LIG    1       -1.949   1.828  -0.928  0.00  0.00    +0.112 A 
ATOM     25  C   LIG    1       -3.012   1.870  -1.810  0.00  0.00    +0.031 A 
ATOM     26  C   LIG    1       -3.938   0.826  -1.784  0.00  0.00    +0.026 A 
ATOM     27  C   LIG    1       -3.752  -0.214  -0.869  0.00  0.00    +0.041 A 
BRANCH  26  28
ATOM     28  C   LIG    1       -5.076   0.819  -2.691  0.00  0.00    +0.204 A 
ATOM     29  N   LIG    1       -5.332   1.775  -3.604  0.00  0.00    -0.133 NA
ATOM     30  N   LIG    1       -6.458   1.289  -4.146  0.00  0.00    -0.176 N 
ATOM     31  H   LIG    1       -6.951   1.768  -4.894  0.00  0.00    +0.214 HD
ATOM     32  N   LIG    1       -6.900   0.131  -3.646  0.00  0.00    -0.049 NA
ATOM     33  N   LIG    1       -6.019  -0.184  -2.708  0.00  0.00    -0.108 NA
ENDBRANCH  26  28
ENDBRANCH   4  22
TORSDOF 6