REMARK  Name = BDB021270
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.181   0.479  -0.406  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        0.394  -0.096   0.635  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -0.969   0.126   0.581  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -1.520  -0.465   1.695  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -0.463  -1.052   2.350  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -1.579   0.870  -0.444  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.848   1.425  -1.371  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.718  -0.822   1.691  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        0.516   1.216  -1.324  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        5.469   0.109  -0.679  0.00  0.00    -0.033 A 
ATOM     11  C   LIG    1        4.660  -0.161  -1.791  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1        3.268  -0.042  -1.708  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        2.654   0.358  -0.512  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1        3.463   0.622   0.600  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        4.854   0.506   0.516  0.00  0.00    +0.005 A 
BRANCH  10  16
ATOM     16  C   LIG    1        6.975  -0.023  -0.768  0.00  0.00    +0.119 C 
BRANCH  16  18
ATOM     17  C   LIG    1        7.352  -1.698   0.978  0.00  0.00    +0.104 C 
ATOM     18  N   LIG    1        7.553  -1.330  -0.419  0.00  0.00    -0.304 NA
ATOM     19  C   LIG    1        7.134  -2.405  -1.311  0.00  0.00    +0.104 C 
ENDBRANCH  16  18
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   5  20
ATOM     20  C   LIG    1       -0.512  -1.802   3.567  0.00  0.00    +0.121 C 
ATOM     21  N   LIG    1       -0.597  -2.405   4.557  0.00  0.00    -0.189 NA
ENDBRANCH   5  20
BRANCH   6  22
ATOM     22  N   LIG    1       -2.946   1.046  -0.470  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -3.134   1.781  -1.154  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.798  -0.092  -0.810  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.235   0.342  -0.856  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -5.929   0.771   0.272  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -5.499   0.862   1.689  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -6.666   1.673   2.253  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -7.815   1.504   1.393  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -7.270   1.131   0.193  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -7.979   1.086  -0.991  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -7.301   0.672  -2.136  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -5.950   0.308  -2.061  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -5.337  -0.096  -3.183  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 7