REMARK  Name = BDB049727
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.194   0.103   0.236  0.00  0.00    +0.057 A 
ATOM      2  C   LIG    1        1.531  -1.075   0.608  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        0.129  -1.185   0.555  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -0.687  -0.131   0.132  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -0.020   1.042  -0.236  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        1.382   1.159  -0.188  0.00  0.00    +0.028 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        4.002   2.450  -0.451  0.00  0.00    -0.267 OA
ATOM      8  C   LIG    1        4.364   1.351  -0.053  0.00  0.00    +0.262 A 
ATOM      9  N   LIG    1        3.619   0.218   0.288  0.00  0.00    -0.247 N 
ATOM     10  S   LIG    1        4.620  -1.088   0.801  0.00  0.00    -0.012 S 
ATOM     11  C   LIG    1        6.042  -0.149   0.568  0.00  0.00    +0.069 A 
ATOM     12  C   LIG    1        5.811   1.087   0.129  0.00  0.00    +0.079 A 
ENDBRANCH   1   9
BRANCH   4  13
ATOM     13  N   LIG    1       -2.063  -0.241   0.083  0.00  0.00    -0.326 N 
ATOM     14  C   LIG    1       -2.942   0.938   0.028  0.00  0.00    +0.133 C 
ATOM     15  C   LIG    1       -4.322   0.595   0.616  0.00  0.00    +0.178 C 
ATOM     16  O   LIG    1       -4.997  -0.478  -0.057  0.00  0.00    -0.377 OA
ATOM     17  C   LIG    1       -4.100  -1.418  -0.663  0.00  0.00    +0.178 C 
ATOM     18  C   LIG    1       -2.744  -1.546   0.053  0.00  0.00    +0.133 C 
ENDBRANCH   4  13
TORSDOF 2