REMARK  Name = BDB057822
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.234   0.042  -0.359  0.00  0.00    +0.163 A 
ATOM      2  N   LIG    1       -3.214  -0.204   0.517  0.00  0.00    -0.227 NA
ATOM      3  C   LIG    1       -3.194  -1.386   1.137  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -2.205  -2.349   0.902  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1       -2.238  -3.570   1.624  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -3.251  -3.829   2.546  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -4.236  -2.876   2.760  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -1.233  -1.999  -0.055  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1       -4.196  -1.669   2.058  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -1.245  -0.807  -0.672  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -3.377   1.981  -1.528  0.00  0.00    +0.065 A 
ATOM     12  C   LIG    1       -2.217   1.364  -1.001  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -0.993   2.064  -1.090  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -0.914   3.336  -1.660  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -2.060   3.942  -2.156  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -3.281   3.272  -2.091  0.00  0.00    +0.013 A 
BRANCH  11  18
ATOM     17  F   LIG    1       -5.601   1.858  -2.403  0.00  0.00    -0.166 F 
ATOM     18  C   LIG    1       -4.725   1.292  -1.515  0.00  0.00    +0.418 C 
ATOM     19  F   LIG    1       -4.679  -0.021  -1.874  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -5.359   1.356  -0.312  0.00  0.00    -0.166 F 
ENDBRANCH  11  18
ENDBRANCH   1  12
BRANCH   8  21
ATOM     21  N   LIG    1       -0.207  -2.923  -0.363  0.00  0.00    -0.324 N 
ATOM     22  H   LIG    1       -0.652  -3.793  -0.642  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        0.763  -2.495  -1.370  0.00  0.00    +0.138 C 
BRANCH  23  24
ATOM     24  C   LIG    1        1.800  -1.544  -0.813  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        2.156  -0.393  -1.527  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        3.129   0.482  -1.031  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1        3.780   0.229   0.187  0.00  0.00    -0.015 A 
ATOM     28  C   LIG    1        3.426  -0.933   0.890  0.00  0.00    +0.009 A 
ATOM     29  C   LIG    1        2.453  -1.809   0.397  0.00  0.00    +0.006 A 
BRANCH  27  30
ATOM     30  C   LIG    1        4.796   1.150   0.707  0.00  0.00    +0.018 A 
ATOM     31  C   LIG    1        6.040   0.735   1.154  0.00  0.00    +0.122 A 
ATOM     32  N   LIG    1        6.997   1.557   1.638  0.00  0.00    -0.243 NA
ATOM     33  C   LIG    1        6.681   2.860   1.668  0.00  0.00    +0.221 A 
ATOM     34  N   LIG    1        5.519   3.396   1.267  0.00  0.00    -0.243 NA
ATOM     35  C   LIG    1        4.604   2.519   0.798  0.00  0.00    +0.122 A 
ENDBRANCH  27  30
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   8  21
TORSDOF 6