REMARK  Name = BDB003583
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.755   0.460  -0.021  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1       -2.501  -0.875  -0.378  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1       -1.236  -1.445  -0.173  0.00  0.00    +0.101 A 
ATOM      4  C   LIG    1       -0.211  -0.671   0.372  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1       -0.458   0.656   0.752  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -1.721   1.216   0.551  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -4.522   1.523  -1.498  0.00  0.00    -0.037 A 
ATOM      8  C   LIG    1       -4.083   1.051  -0.236  0.00  0.00    -0.014 A 
ATOM      9  C   LIG    1       -4.955   1.141   0.868  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -6.237   1.673   0.738  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -6.674   2.123  -0.500  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -5.827   2.047  -1.606  0.00  0.00    +0.004 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -3.461   2.849  -3.384  0.00  0.00    +0.012 C 
ATOM     14  C   LIG    1       -3.633   1.470  -2.738  0.00  0.00    +0.013 C 
ATOM     15  C   LIG    1       -4.165   0.455  -3.753  0.00  0.00    +0.012 C 
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  16
ATOM     16  S   LIG    1       -0.954  -3.108  -0.723  0.00  0.00    -0.005 S 
ATOM     17  O   LIG    1        0.357  -3.159  -1.339  0.00  0.00    -0.170 OA
ATOM     18  O   LIG    1       -2.118  -3.491  -1.504  0.00  0.00    -0.170 OA
ATOM     19  C   LIG    1       -0.968  -4.106   0.741  0.00  0.00    +0.200 C 
ENDBRANCH   3  16
BRANCH   4  20
ATOM     20  C   LIG    1        1.121  -1.213   0.671  0.00  0.00    +0.248 C 
ATOM     21  N   LIG    1        2.195  -0.848  -0.133  0.00  0.00    -0.300 N 
ATOM     22  C   LIG    1        2.063  -0.204  -1.435  0.00  0.00    +0.132 C 
ATOM     23  O   LIG    1        1.200  -1.930   1.665  0.00  0.00    -0.270 OA
BRANCH  21  24
ATOM     24  C   LIG    1        3.510  -1.397   0.198  0.00  0.00    +0.111 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.189  -0.654   1.363  0.00  0.00    +0.006 C 
ATOM     26  C   LIG    1        5.471  -1.376   1.793  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1        6.095  -0.740   3.038  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1        5.779   0.749   3.190  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1        5.623   1.430   1.839  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1        4.495   0.814   1.006  0.00  0.00    +0.005 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH   4  20
TORSDOF 6