REMARK  Name = BDB031575
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.002  -0.272  -0.306  0.00  0.00    -0.300 N 
ATOM      2  H   LIG    1       -0.910  -0.062  -1.294  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1        0.179  -0.272   0.412  0.00  0.00    +0.246 C 
ATOM      4  O   LIG    1        0.310  -0.919   1.446  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      5  O   LIG    1       -5.596   0.995  -0.115  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -4.623   0.261   0.030  0.00  0.00    +0.219 C 
ATOM      7  N   LIG    1       -4.324  -0.700  -0.900  0.00  0.00    -0.255 N 
ATOM      8  H   LIG    1       -4.924  -0.677  -1.714  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1       -3.067  -1.197  -1.127  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1       -2.714  -1.510  -2.264  0.00  0.00    -0.273 OA
ATOM     11  C   LIG    1       -2.086  -1.183   0.051  0.00  0.00    +0.160 C 
ATOM     12  C   LIG    1       -2.800  -0.817   1.352  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1       -3.646   0.433   1.167  0.00  0.00    +0.098 C 
ENDBRANCH   1  11
BRANCH   3  14
ATOM     14  C   LIG    1        1.264   0.528  -0.167  0.00  0.00    +0.051 A 
ATOM     15  C   LIG    1        2.679   0.364   0.130  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        3.469   1.279  -0.575  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        4.873   1.300  -0.453  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        5.497   0.383   0.394  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        4.744  -0.536   1.106  0.00  0.00    +0.001 A 
ATOM     20  S   LIG    1        2.513   2.316  -1.554  0.00  0.00    -0.096 S 
ATOM     21  C   LIG    1        3.352  -0.554   0.981  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1        1.066   1.572  -1.054  0.00  0.00    +0.059 A 
ENDBRANCH   3  14
TORSDOF 2