REMARK  Name = BDB003057
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.312  -0.765   1.182  0.00  0.00    +0.154 A 
ATOM      2  N   LIG    1        1.586  -1.026   0.788  0.00  0.00    -0.274 N 
ATOM      3  C   LIG    1        1.749  -2.387   0.995  0.00  0.00    +0.180 A 
ATOM      4  S   LIG    1        3.009  -3.423   0.681  0.00  0.00    -0.011 S 
ATOM      5  N   LIG    1        0.540  -2.837   1.514  0.00  0.00    -0.254 N 
ATOM      6  H   LIG    1        0.298  -3.793   1.744  0.00  0.00    +0.191 HD
ATOM      7  N   LIG    1       -0.344  -1.811   1.621  0.00  0.00    -0.157 NA
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1        2.526  -0.137   0.225  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1        2.163   0.720  -0.824  0.00  0.00    +0.029 A 
ATOM     10  C   LIG    1        3.095   1.599  -1.384  0.00  0.00    +0.040 A 
ATOM     11  C   LIG    1        4.396   1.618  -0.900  0.00  0.00    +0.124 A 
ATOM     12  F   LIG    1        5.289   2.460  -1.435  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        4.783   0.772   0.130  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1        3.850  -0.107   0.689  0.00  0.00    +0.029 A 
ENDBRANCH   2   8
BRANCH   1  15
ATOM     15  C   LIG    1       -0.304   0.621   1.267  0.00  0.00    +0.181 C 
BRANCH  15  18
ATOM     16  O   LIG    1       -1.317   1.187  -1.288  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1       -2.090   0.765  -0.431  0.00  0.00    +0.280 C 
ATOM     18  N   LIG    1       -1.696   0.557   0.872  0.00  0.00    -0.302 N 
ATOM     19  H   LIG    1       -2.330   0.009   1.446  0.00  0.00    +0.150 HD
BRANCH  17  20
ATOM     20  C   LIG    1       -3.473   0.425  -0.694  0.00  0.00    +0.189 A 
ATOM     21  O   LIG    1       -4.251  -0.071   0.322  0.00  0.00    -0.458 OA
ATOM     22  C   LIG    1       -5.484  -0.305  -0.197  0.00  0.00    +0.196 A 
ATOM     23  C   LIG    1       -5.519   0.031  -1.529  0.00  0.00    +0.042 A 
ATOM     24  C   LIG    1       -4.224   0.500  -1.851  0.00  0.00    +0.054 A 
ENDBRANCH  17  20
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 4