REMARK  Name = BDB020196
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.161   0.592   0.246  0.00  0.00    +0.229 C 
ATOM      2  N   LIG    1        0.821  -0.335  -0.048  0.00  0.00    -0.283 N 
ATOM      3  H   LIG    1        0.511  -1.272  -0.319  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.028   1.797   0.397  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  11
ATOM      5  O   LIG    1       -5.522  -0.716  -0.472  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -4.355  -0.424  -0.232  0.00  0.00    +0.219 C 
ATOM      7  N   LIG    1       -3.325  -0.973  -0.953  0.00  0.00    -0.256 N 
ATOM      8  H   LIG    1       -3.602  -1.631  -1.670  0.00  0.00    +0.157 HD
ATOM      9  C   LIG    1       -1.988  -0.947  -0.646  0.00  0.00    +0.231 C 
ATOM     10  O   LIG    1       -1.211  -1.723  -1.203  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -1.546  -0.019   0.468  0.00  0.00    +0.162 C 
ATOM     12  C   LIG    1       -2.591   1.082   0.683  0.00  0.00    +0.031 C 
ATOM     13  C   LIG    1       -3.963   0.471   0.915  0.00  0.00    +0.097 C 
ENDBRANCH   1  11
BRANCH   2  14
ATOM     14  C   LIG    1        2.207  -0.112  -0.204  0.00  0.00    +0.069 A 
ATOM     15  C   LIG    1        2.986  -1.198  -0.625  0.00  0.00    +0.144 A 
ATOM     16  F   LIG    1        2.398  -2.382  -0.860  0.00  0.00    -0.204 F 
ATOM     17  C   LIG    1        4.362  -1.086  -0.806  0.00  0.00    +0.040 A 
ATOM     18  C   LIG    1        4.987   0.133  -0.560  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1        4.229   1.225  -0.134  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        2.845   1.104   0.045  0.00  0.00    +0.026 A 
ENDBRANCH   2  14
TORSDOF 2