REMARK  Name = BDB054497
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.180  -2.799   1.556  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -1.397  -2.162   0.962  0.00  0.00    +0.062 A 
ATOM      3  C   LIG    1       -1.487  -0.874   0.389  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1       -2.699  -0.402  -0.134  0.00  0.00    +0.011 A 
ATOM      5  C   LIG    1       -2.484   0.910  -0.656  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -1.144   1.229  -0.445  0.00  0.00    +0.053 A 
ATOM      7  C   LIG    1       -0.606   2.461  -0.859  0.00  0.00    +0.064 A 
ATOM      8  C   LIG    1       -1.458   3.366  -1.488  0.00  0.00    +0.125 A 
ATOM      9  F   LIG    1       -0.968   4.547  -1.891  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -2.796   3.080  -1.707  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1       -3.322   1.852  -1.295  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1       -3.838  -1.218  -0.076  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -3.687  -2.459   0.502  0.00  0.00    +0.112 A 
ATOM     14  N   LIG    1       -0.564   0.145   0.196  0.00  0.00    -0.338 N 
ATOM     15  N   LIG    1       -2.528  -2.924   1.003  0.00  0.00    -0.258 NA
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        0.838   0.130   0.598  0.00  0.00    +0.122 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.750  -0.378  -0.520  0.00  0.00    +0.023 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.197  -0.592  -0.067  0.00  0.00    +0.017 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.897   0.705   0.340  0.00  0.00    +0.078 C 
BRANCH  19  20
ATOM     20  N   LIG    1        5.291   0.459   0.685  0.00  0.00    -0.330 NA
ATOM     21  H   LIG    1        5.781   0.061  -0.116  0.00  0.00    +0.118 HD
ATOM     22  H   LIG    1        5.352  -0.239   1.425  0.00  0.00    +0.118 HD
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  14  16
TORSDOF 5