REMARK  Name = BDB021239
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.432  -1.795  -1.873  0.00  0.00    +0.159 A 
ATOM      2  N   LIG    1        2.421  -1.227  -1.109  0.00  0.00    -0.217 NA
ATOM      3  C   LIG    1        1.811  -0.348  -0.332  0.00  0.00    +0.151 A 
ATOM      4  N   LIG    1        0.444  -0.378  -0.539  0.00  0.00    -0.270 N 
ATOM      5  C   LIG    1       -0.455   0.425   0.183  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1       -0.009   1.277   1.061  0.00  0.00    -0.223 NA
ATOM      7  C   LIG    1        1.355   1.325   1.266  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        2.300   0.577   0.647  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        0.201  -1.278  -1.551  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        3.687   0.732   0.977  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1        4.765   0.723   0.130  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1        5.167   0.606  -1.284  0.00  0.00    +0.057 C 
ATOM     13  C   LIG    1        6.705   0.415  -1.173  0.00  0.00    +0.029 C 
ATOM     14  C   LIG    1        7.115   0.976   0.200  0.00  0.00    +0.144 C 
ATOM     15  N   LIG    1        5.854   0.920   0.911  0.00  0.00    -0.268 N 
ATOM     16  N   LIG    1        5.617   1.088   2.207  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1        4.281   0.958   2.258  0.00  0.00    +0.143 A 
ENDBRANCH   8  10
BRANCH   1  19
ATOM     18  N   LIG    1        1.935  -3.585  -3.680  0.00  0.00    -0.189 NA
ATOM     19  C   LIG    1        1.725  -2.783  -2.867  0.00  0.00    +0.121 C 
ENDBRANCH   1  19
BRANCH   5  20
ATOM     20  N   LIG    1       -1.809   0.337  -0.048  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -2.244   1.164   0.357  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.531  -0.836   0.437  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.947  -0.788  -0.051  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -4.945  -0.066   0.598  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -4.879   0.795   1.804  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -6.375   0.980   2.061  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -7.095   0.752   0.829  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -6.236  -0.014   0.086  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -6.596  -0.661  -1.079  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -5.614  -1.396  -1.743  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -4.311  -1.452  -1.230  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1       -3.391  -2.161  -1.901  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   5  20
TORSDOF 5