REMARK  Name = BDB053351
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.406   1.997  -0.390  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -0.699   0.830  -0.178  0.00  0.00    +0.272 A 
ATOM      3  N   LIG    1        0.132  -0.282   0.038  0.00  0.00    -0.244 N 
ATOM      4  S   LIG    1       -0.765  -1.747   0.296  0.00  0.00    +0.017 S 
ATOM      5  C   LIG    1       -2.304  -0.895   0.118  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1       -3.506  -1.493   0.212  0.00  0.00    -0.246 NA
ATOM      7  C   LIG    1       -4.573  -0.675   0.047  0.00  0.00    +0.112 A 
ATOM      8  C   LIG    1       -4.480   0.694  -0.204  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -3.216   1.274  -0.294  0.00  0.00    +0.017 A 
ATOM     10  C   LIG    1       -2.117   0.447  -0.127  0.00  0.00    +0.074 A 
ENDROOT
BRANCH   3  11
ATOM     11  C   LIG    1        1.565  -0.267   0.055  0.00  0.00    +0.060 A 
ATOM     12  C   LIG    1        2.291   0.917  -0.154  0.00  0.00    +0.068 A 
ATOM     13  C   LIG    1        3.687   0.919  -0.135  0.00  0.00    +0.160 A 
ATOM     14  F   LIG    1        4.342   2.071  -0.339  0.00  0.00    -0.202 F 
ATOM     15  C   LIG    1        4.394  -0.250   0.090  0.00  0.00    +0.159 A 
ATOM     16  F   LIG    1        5.734  -0.243   0.107  0.00  0.00    -0.202 F 
ATOM     17  C   LIG    1        3.713  -1.437   0.300  0.00  0.00    +0.043 A 
ATOM     18  C   LIG    1        2.312  -1.444   0.282  0.00  0.00    +0.030 A 
ENDBRANCH   3  11
TORSDOF 1