REMARK  Name = BDB002049
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.541  -1.460   0.330  0.00  0.00    +0.052 A 
ATOM      2  C   LIG    1        0.637  -0.628   0.311  0.00  0.00    -0.025 A 
ATOM      3  C   LIG    1        0.762   0.786   0.807  0.00  0.00    +0.037 C 
ATOM      4  C   LIG    1        2.045   1.462   0.300  0.00  0.00    +0.005 C 
ATOM      5  C   LIG    1        3.265   0.546   0.455  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1        3.108  -0.749  -0.355  0.00  0.00    +0.043 C 
ATOM      7  C   LIG    1        1.733  -1.318  -0.177  0.00  0.00    -0.006 A 
ATOM      8  S   LIG    1        1.375  -2.928  -0.584  0.00  0.00    -0.101 S 
ATOM      9  C   LIG    1       -0.249  -2.747  -0.087  0.00  0.00    +0.059 A 
ENDROOT
BRANCH   1  11
ATOM     10  O   LIG    1       -2.411  -1.665   1.723  0.00  0.00    -0.265 OA
ATOM     11  C   LIG    1       -1.887  -1.087   0.773  0.00  0.00    +0.279 C 
ATOM     12  N   LIG    1       -2.634  -0.086   0.094  0.00  0.00    -0.204 N 
ATOM     13  N   LIG    1       -3.839   0.342   0.574  0.00  0.00    -0.172 NA
ATOM     14  C   LIG    1       -4.250   1.259  -0.301  0.00  0.00    +0.135 A 
ATOM     15  C   LIG    1       -3.345   1.442  -1.356  0.00  0.00    +0.041 A 
ATOM     16  C   LIG    1       -2.321   0.566  -1.089  0.00  0.00    +0.118 A 
ENDBRANCH   1  11
TORSDOF 1