REMARK  Name = BDB035939
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.551  -1.188   0.412  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.794  -0.814   0.205  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.196  -0.290   1.420  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.477   0.214   1.681  0.00  0.00    +0.059 A 
ATOM      5  C   LIG    1        3.410   0.195   0.623  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1        3.027  -0.341  -0.607  0.00  0.00    +0.007 A 
ATOM      7  C   LIG    1        3.783  -0.452  -1.881  0.00  0.00    +0.080 C 
ATOM      8  C   LIG    1        2.872  -1.423  -2.632  0.00  0.00    +0.234 C 
ATOM      9  O   LIG    1        1.531  -1.319  -2.098  0.00  0.00    -0.491 OA
ATOM     10  O   LIG    1        0.154  -0.345   2.290  0.00  0.00    -0.353 OA
ATOM     11  C   LIG    1        1.741  -0.837  -0.814  0.00  0.00    +0.139 A 
ATOM     12  N   LIG    1       -0.946  -0.906   1.658  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   5  13
ATOM     13  C   LIG    1        4.755   0.718   0.851  0.00  0.00    +0.020 A 
ATOM     14  S   LIG    1        5.243   2.180   0.102  0.00  0.00    -0.097 S 
ATOM     15  C   LIG    1        6.789   2.112   0.830  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        6.932   1.006   1.637  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        5.754   0.203   1.655  0.00  0.00    +0.016 A 
ENDBRANCH   5  13
BRANCH   1  18
ATOM     18  N   LIG    1       -1.350  -1.761  -0.568  0.00  0.00    -0.196 N 
ATOM     19  H   LIG    1       -1.001  -1.777  -1.524  0.00  0.00    +0.175 HD
BRANCH  18  20
ATOM     20  S   LIG    1       -3.010  -1.923  -0.452  0.00  0.00    +0.081 S 
ATOM     21  O   LIG    1       -3.271  -2.816   0.658  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1       -3.471  -2.265  -1.785  0.00  0.00    -0.150 OA
BRANCH  20  24
ATOM     23  C   LIG    1       -3.157   0.778  -0.907  0.00  0.00    +0.150 A 
ATOM     24  C   LIG    1       -3.602  -0.289  -0.112  0.00  0.00    +0.191 A 
ATOM     25  C   LIG    1       -4.511  -0.039   0.919  0.00  0.00    +0.150 A 
ATOM     26  C   LIG    1       -4.953   1.268   1.164  0.00  0.00    +0.048 A 
ATOM     27  C   LIG    1       -4.467   2.330   0.405  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1       -3.566   2.087  -0.628  0.00  0.00    +0.048 A 
BRANCH  23  30
ATOM     29  C   LIG    1       -2.901   0.760  -3.201  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -2.268   0.574  -1.932  0.00  0.00    -0.493 OA
ENDBRANCH  23  30
BRANCH  25  31
ATOM     31  O   LIG    1       -5.088  -1.050   1.636  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1       -4.572  -1.099   2.968  0.00  0.00    +0.277 C 
ENDBRANCH  25  31
ENDBRANCH  20  24
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6