REMARK  Name = BDB058142
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.316   1.863   0.616  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -0.625   0.455   0.158  0.00  0.00    -0.039 A 
ATOM      3  C   LIG    1       -1.962   0.084  -0.140  0.00  0.00    -0.030 A 
ATOM      4  C   LIG    1       -3.110   1.067  -0.033  0.00  0.00    +0.055 C 
ATOM      5  C   LIG    1       -4.432   0.347   0.211  0.00  0.00    +0.109 C 
ATOM      6  N   LIG    1       -4.627  -0.729  -0.728  0.00  0.00    -0.311 N 
ATOM      7  H   LIG    1       -5.556  -1.100  -0.886  0.00  0.00    +0.149 HD
ATOM      8  C   LIG    1       -3.619  -1.622  -0.999  0.00  0.00    +0.244 C 
ATOM      9  O   LIG    1       -3.857  -2.697  -1.535  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1       -2.236  -1.217  -0.613  0.00  0.00    +0.040 A 
ATOM     11  C   LIG    1       -1.211  -2.154  -0.743  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1        0.094  -1.807  -0.400  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        0.407  -0.514   0.056  0.00  0.00    -0.015 A 
ENDROOT
BRANCH  13  14
ATOM     14  C   LIG    1        1.804  -0.226   0.412  0.00  0.00    -0.014 A 
ATOM     15  C   LIG    1        2.757   0.036  -0.580  0.00  0.00    +0.041 A 
ATOM     16  C   LIG    1        4.079   0.303  -0.216  0.00  0.00    +0.144 A 
ATOM     17  N   LIG    1        4.473   0.320   1.089  0.00  0.00    -0.251 NA
ATOM     18  C   LIG    1        3.542   0.059   2.031  0.00  0.00    +0.112 A 
ATOM     19  C   LIG    1        2.217  -0.216   1.746  0.00  0.00    +0.028 A 
BRANCH  16  20
ATOM     20  C   LIG    1        5.091   0.602  -1.314  0.00  0.00    +0.434 C 
ATOM     21  F   LIG    1        5.087  -0.347  -2.298  0.00  0.00    -0.164 F 
ATOM     22  F   LIG    1        4.834   1.783  -1.950  0.00  0.00    -0.164 F 
ATOM     23  F   LIG    1        6.382   0.683  -0.886  0.00  0.00    -0.164 F 
ENDBRANCH  16  20
ENDBRANCH  13  14
TORSDOF 2