REMARK  Name = BDB001882
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.024  -1.269   0.364  0.00  0.00    +0.095 A 
ATOM      2  C   LIG    1        0.262  -2.637   0.356  0.00  0.00    +0.078 A 
ATOM      3  S   LIG    1       -0.980  -3.507  -0.425  0.00  0.00    -0.081 S 
ATOM      4  C   LIG    1       -1.878  -2.088  -0.712  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1       -1.270  -0.959  -0.201  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   5   6
ATOM      6  C   LIG    1       -2.014   0.451  -0.244  0.00  0.00    +0.021 A 
ATOM      7  S   LIG    1       -1.480   1.870   0.545  0.00  0.00    -0.097 S 
ATOM      8  C   LIG    1       -2.821   2.775   0.003  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -3.678   2.013  -0.757  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -3.216   0.670  -0.892  0.00  0.00    +0.016 A 
ENDBRANCH   5   6
BRANCH   2  11
ATOM     11  N   LIG    1        1.336  -3.298   0.853  0.00  0.00    -0.352 N 
ATOM     12  H   LIG    1        1.877  -2.845   1.591  0.00  0.00    +0.143 HD
ATOM     13  H   LIG    1        1.239  -4.298   1.007  0.00  0.00    +0.143 HD
ENDBRANCH   2  11
BRANCH   1  14
ATOM     14  C   LIG    1        1.023  -0.349   0.886  0.00  0.00    +0.342 C 
ATOM     15  O   LIG    1        1.579  -0.504   1.968  0.00  0.00    -0.245 OA
BRANCH  14  16
ATOM     16  O   LIG    1        1.333   0.633  -0.009  0.00  0.00    -0.461 OA
BRANCH  16  18
ATOM     17  C   LIG    1        3.724   1.003   0.029  0.00  0.00    +0.048 C 
ATOM     18  C   LIG    1        2.358   1.550   0.396  0.00  0.00    +0.229 C 
ENDBRANCH  16  18
ENDBRANCH  14  16
ENDBRANCH   1  14
TORSDOF 5