REMARK  Name = BDB049482
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.397   0.117  -1.528  0.00  0.00    +0.163 A 
ATOM      2  C   LIG    1       -1.610   0.488  -0.930  0.00  0.00    +0.177 A 
ATOM      3  C   LIG    1       -1.809   0.377   0.466  0.00  0.00    +0.079 A 
ATOM      4  S   LIG    1       -3.402   0.917   1.131  0.00  0.00    -0.040 S 
ATOM      5  S   LIG    1       -2.929   2.782   1.853  0.00  0.00    -0.007 S 
ATOM      6  S   LIG    1       -2.425   2.438   3.808  0.00  0.00    -0.001 S 
ATOM      7  S   LIG    1       -0.580   1.552   3.721  0.00  0.00    -0.007 S 
ATOM      8  S   LIG    1       -0.964  -0.358   3.061  0.00  0.00    -0.043 S 
ATOM      9  C   LIG    1       -0.777  -0.172   1.272  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1        0.426  -0.608   0.658  0.00  0.00    -0.027 A 
ATOM     11  C   LIG    1        0.600  -0.442  -0.732  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1        1.007   0.213  -3.457  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1       -0.287   0.323  -2.878  0.00  0.00    -0.491 OA
ENDBRANCH   1  13
BRANCH   2  14
ATOM     14  O   LIG    1       -2.601   1.055  -1.707  0.00  0.00    -0.490 OA
ATOM     15  C   LIG    1       -3.307   0.051  -2.437  0.00  0.00    +0.277 C 
ENDBRANCH   2  14
BRANCH  10  16
ATOM     16  C   LIG    1        1.585  -1.235   1.418  0.00  0.00    +0.051 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.637  -0.198   1.832  0.00  0.00    +0.082 C 
BRANCH  17  18
ATOM     18  N   LIG    1        3.749  -0.809   2.558  0.00  0.00    -0.330 NA
ATOM     19  H   LIG    1        4.160  -1.559   2.003  0.00  0.00    +0.118 HD
ATOM     20  H   LIG    1        3.403  -1.244   3.413  0.00  0.00    +0.118 HD
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  10  16
TORSDOF 5