REMARK  Name = BDB008982
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.324  -1.714  -0.695  0.00  0.00    +0.092 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.050  -2.005  -0.097  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1       -2.119  -0.959  -0.146  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1       -1.884   0.362  -0.825  0.00  0.00    +0.037 C 
ATOM      5  C   LIG    1       -3.172   1.153  -1.075  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1       -4.081   1.121   0.146  0.00  0.00    +0.005 C 
ATOM      7  C   LIG    1       -4.455  -0.317   0.513  0.00  0.00    +0.041 C 
ATOM      8  C   LIG    1       -3.290  -1.265   0.440  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -3.484  -2.598   1.065  0.00  0.00    +0.268 A 
ATOM     10  O   LIG    1       -4.543  -2.916   1.596  0.00  0.00    -0.266 OA
ATOM     11  N   LIG    1       -2.414  -3.448   1.006  0.00  0.00    -0.243 N 
ATOM     12  H   LIG    1       -2.528  -4.365   1.426  0.00  0.00    +0.192 HD
ATOM     13  N   LIG    1       -1.206  -3.176   0.449  0.00  0.00    -0.175 NA
ENDBRANCH   1   2
BRANCH   1  16
ATOM     14  C   LIG    1        2.507   1.190   0.469  0.00  0.00    +0.048 A 
ATOM     15  C   LIG    1        1.707   0.371  -0.329  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1        1.179  -0.825   0.178  0.00  0.00    -0.040 A 
ATOM     17  C   LIG    1        1.477  -1.192   1.497  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        2.264  -0.367   2.301  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        2.772   0.827   1.790  0.00  0.00    +0.024 A 
BRANCH  14  20
ATOM     20  N   LIG    1        3.046   2.415  -0.020  0.00  0.00    -0.221 N 
ATOM     21  H   LIG    1        3.356   3.099   0.669  0.00  0.00    +0.173 HD
BRANCH  20  23
ATOM     22  C   LIG    1        5.347   1.344  -0.952  0.00  0.00    +0.218 C 
ATOM     23  S   LIG    1        4.007   2.429  -1.402  0.00  0.00    +0.040 S 
ATOM     24  O   LIG    1        4.544   3.772  -1.485  0.00  0.00    -0.155 OA
ATOM     25  O   LIG    1        3.287   1.843  -2.511  0.00  0.00    -0.155 OA
ENDBRANCH  20  23
ENDBRANCH  14  20
ENDBRANCH   1  16
TORSDOF 4