REMARK  Name = BDB029746
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.820   0.028  -0.287  0.00  0.00    +0.087 A 
ATOM      2  N   LIG    1       -0.350  -0.601  -0.147  0.00  0.00    -0.166 NA
ATOM      3  N   LIG    1       -1.278   0.371   0.060  0.00  0.00    -0.221 N 
ATOM      4  C   LIG    1       -0.692   1.619   0.018  0.00  0.00    +0.117 A 
ATOM      5  C   LIG    1        0.650   1.426  -0.210  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   1   9
ATOM      6  O   LIG    1        4.275  -2.418  -1.150  0.00  0.00    -0.269 OA
ATOM      7  C   LIG    1        4.403  -1.329  -0.615  0.00  0.00    +0.256 C 
ATOM      8  C   LIG    1        3.300  -0.384  -0.286  0.00  0.00    +0.078 C 
ATOM      9  C   LIG    1        2.024  -0.707  -0.530  0.00  0.00    +0.049 C 
ATOM     10  S   LIG    1        3.957   1.035   0.444  0.00  0.00    -0.061 S 
ATOM     11  C   LIG    1        5.597   0.440   0.340  0.00  0.00    +0.118 C 
ATOM     12  S   LIG    1        6.963   1.224   0.847  0.00  0.00    -0.027 S 
ATOM     13  N   LIG    1        5.601  -0.793  -0.234  0.00  0.00    -0.270 N 
ATOM     14  H   LIG    1        6.455  -1.307  -0.386  0.00  0.00    +0.156 HD
ENDBRANCH   1   9
BRANCH   3  15
ATOM     15  C   LIG    1       -2.660   0.044   0.276  0.00  0.00    +0.154 A 
ATOM     16  N   LIG    1       -3.017  -1.270   0.268  0.00  0.00    -0.236 NA
ATOM     17  C   LIG    1       -4.315  -1.576   0.471  0.00  0.00    +0.113 A 
ATOM     18  C   LIG    1       -5.300  -0.630   0.687  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -4.930   0.709   0.696  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1       -3.595   1.058   0.489  0.00  0.00    +0.048 A 
ENDBRANCH   3  15
TORSDOF 2