REMARK  Name = BDB000027
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.377  -0.569   0.334  0.00  0.00    +0.164 A 
ATOM      2  C   LIG    1       -2.670   0.641   0.256  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1       -1.291   0.609   0.042  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1       -0.600  -0.622  -0.095  0.00  0.00    +0.044 A 
ATOM      5  C   LIG    1       -1.311  -1.824   0.006  0.00  0.00    +0.080 A 
ATOM      6  N   LIG    1       -0.725  -3.020  -0.089  0.00  0.00    -0.235 NA
ATOM      7  C   LIG    1        0.598  -3.030  -0.281  0.00  0.00    +0.223 A 
ATOM      8  N   LIG    1        1.384  -1.958  -0.400  0.00  0.00    -0.220 NA
ATOM      9  C   LIG    1        0.787  -0.755  -0.319  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1       -2.684  -1.778   0.212  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -5.481  -1.670   0.620  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -4.731  -0.466   0.536  0.00  0.00    -0.491 OA
ENDBRANCH   1  12
BRANCH   2  13
ATOM     13  O   LIG    1       -3.411   1.787   0.393  0.00  0.00    -0.491 OA
ATOM     14  C   LIG    1       -2.715   3.023   0.470  0.00  0.00    +0.277 C 
ENDBRANCH   2  13
BRANCH   9  15
ATOM     15  N   LIG    1        1.570   0.421  -0.489  0.00  0.00    -0.299 N 
ATOM     16  H   LIG    1        1.164   0.967  -1.243  0.00  0.00    +0.154 HD
BRANCH  15  17
ATOM     17  C   LIG    1        2.977   0.545  -0.454  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1        3.585   1.616  -1.129  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1        4.968   1.810  -1.063  0.00  0.00    +0.078 A 
ATOM     20 CL   LIG    1        5.678   3.123  -1.923  0.00  0.00    -0.081 Cl
ATOM     21  C   LIG    1        5.754   0.953  -0.301  0.00  0.00    +0.142 A 
ATOM     22  F   LIG    1        7.082   1.124  -0.222  0.00  0.00    -0.204 F 
ATOM     23  C   LIG    1        5.170  -0.091   0.405  0.00  0.00    +0.041 A 
ATOM     24  C   LIG    1        3.787  -0.283   0.337  0.00  0.00    +0.026 A 
ENDBRANCH  15  17
ENDBRANCH   9  15
TORSDOF 4