REMARK  Name = BDB016442
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.321  -1.000  -1.134  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1        0.048  -0.817  -0.753  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1        0.929  -0.052  -1.532  0.00  0.00    +0.077 A 
ATOM      4  N   LIG    1        2.209   0.165  -1.201  0.00  0.00    -0.227 NA
ATOM      5  C   LIG    1        2.661  -0.386  -0.061  0.00  0.00    +0.161 A 
ATOM      6  N   LIG    1        1.934  -1.165   0.747  0.00  0.00    -0.235 NA
ATOM      7  C   LIG    1        0.459   0.497  -2.712  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -0.849   0.288  -3.142  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1        0.650  -1.359   0.382  0.00  0.00    +0.125 A 
ATOM     10  C   LIG    1       -1.723  -0.468  -2.365  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        4.072  -0.159   0.295  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1        4.511   0.054   1.624  0.00  0.00    +0.065 A 
ATOM     13  C   LIG    1        5.891   0.218   1.882  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        6.827   0.199   0.850  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        6.403   0.016  -0.459  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        5.045  -0.160  -0.730  0.00  0.00    +0.012 A 
BRANCH  12  17
ATOM     17  C   LIG    1        3.547   0.128   2.791  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1        4.115   0.716   3.890  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        3.127  -1.090   3.229  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        2.434   0.874   2.545  0.00  0.00    -0.166 F 
ENDBRANCH  12  17
ENDBRANCH   5  11
BRANCH   1  21
ATOM     21  N   LIG    1       -2.170  -1.800  -0.347  0.00  0.00    -0.339 N 
ATOM     22  H   LIG    1       -1.966  -1.682   0.644  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.623  -1.801  -0.534  0.00  0.00    +0.144 C 
BRANCH  23  27
ATOM     24  C   LIG    1       -5.638   2.086   2.532  0.00  0.00    +0.051 C 
ATOM     25  C   LIG    1       -5.263   1.229   1.372  0.00  0.00    -0.013 A 
ATOM     26  S   LIG    1       -4.350  -0.195   1.626  0.00  0.00    -0.097 S 
ATOM     27  C   LIG    1       -4.330  -0.567  -0.048  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1       -5.018   0.379  -0.781  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1       -5.554   1.415   0.037  0.00  0.00    +0.011 A 
ENDBRANCH  23  27
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 5