REMARK  Name = BDB003590
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.135   0.577  -0.856  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1       -1.528   1.055   0.315  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1       -0.148   1.312   0.359  0.00  0.00    +0.101 A 
ATOM      4  C   LIG    1        0.643   1.040  -0.760  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1        0.039   0.590  -1.943  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -1.336   0.349  -1.984  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -4.519   1.263  -1.354  0.00  0.00    -0.040 A 
ATOM      8  C   LIG    1       -3.579   0.312  -0.895  0.00  0.00    -0.015 A 
ATOM      9  C   LIG    1       -4.044  -0.942  -0.455  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -5.403  -1.255  -0.464  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -6.325  -0.317  -0.912  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -5.888   0.932  -1.351  0.00  0.00    +0.004 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -4.168   3.666  -0.689  0.00  0.00    +0.009 C 
ATOM     14  C   LIG    1       -4.123   2.648  -1.820  0.00  0.00    +0.032 C 
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  15
ATOM     15  S   LIG    1        0.541   1.911   1.883  0.00  0.00    -0.005 S 
ATOM     16  O   LIG    1       -0.457   1.666   2.912  0.00  0.00    -0.170 OA
ATOM     17  O   LIG    1        1.868   1.355   2.047  0.00  0.00    -0.170 OA
ATOM     18  C   LIG    1        0.650   3.670   1.682  0.00  0.00    +0.200 C 
ENDBRANCH   3  15
BRANCH   4  19
ATOM     19  C   LIG    1        2.084   1.339  -0.802  0.00  0.00    +0.248 C 
ATOM     20  N   LIG    1        3.003   0.301  -0.964  0.00  0.00    -0.300 N 
ATOM     21  C   LIG    1        4.413   0.659  -0.973  0.00  0.00    +0.132 C 
ATOM     22  O   LIG    1        2.382   2.530  -0.737  0.00  0.00    -0.270 OA
BRANCH  20  23
ATOM     23  C   LIG    1        2.680  -1.133  -0.905  0.00  0.00    +0.111 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.403  -1.688   0.508  0.00  0.00    +0.006 C 
ATOM     25  C   LIG    1        3.666  -1.662   1.390  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1        3.585  -2.675   2.525  0.00  0.00    +0.000 C 
ATOM     27  C   LIG    1        3.490  -4.107   1.996  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1        2.821  -4.203   0.625  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1        1.785  -3.103   0.426  0.00  0.00    +0.005 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   4  19
TORSDOF 6