REMARK  Name = BDB037193
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.191   0.808   0.083  0.00  0.00    +0.281 C 
ATOM      2  N   LIG    1        0.421   0.936  -1.292  0.00  0.00    -0.180 N 
ATOM      3  H   LIG    1       -0.336   0.688  -1.929  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1        1.021   1.026   0.952  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -3.256  -0.320  -0.406  0.00  0.00    +0.220 A 
ATOM      6  C   LIG    1       -3.754  -0.508   0.884  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1       -2.895  -0.239   1.959  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -1.596   0.196   1.715  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1       -1.198   0.348   0.395  0.00  0.00    +0.131 A 
ATOM     10  N   LIG    1       -1.999   0.095  -0.677  0.00  0.00    -0.208 NA
BRANCH   5  12
ATOM     11  C   LIG    1       -3.609  -0.215  -2.727  0.00  0.00    +0.279 C 
ATOM     12  O   LIG    1       -4.097  -0.621  -1.454  0.00  0.00    -0.479 OA
ENDBRANCH   5  12
BRANCH   6  13
ATOM     13  C   LIG    1       -5.170  -0.960   1.123  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1       -6.139   0.107   0.897  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1       -7.168  -0.089   0.047  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1       -7.860   1.051   0.115  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1       -7.303   1.963   1.028  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1       -6.199   1.318   1.534  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  S   LIG    1        1.819   1.431  -2.015  0.00  0.00    +0.075 S 
ATOM     20  O   LIG    1        2.266   2.664  -1.406  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        1.572   1.357  -3.441  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1        2.959   0.136  -1.601  0.00  0.00    +0.109 A 
ATOM     23  C   LIG    1        3.764   0.263  -0.463  0.00  0.00    +0.035 A 
ATOM     24  C   LIG    1        4.682  -0.745  -0.118  0.00  0.00    -0.015 A 
ATOM     25  C   LIG    1        4.775  -1.864  -0.964  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        3.983  -1.978  -2.112  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        3.073  -0.976  -2.436  0.00  0.00    +0.029 A 
BRANCH  24  28
ATOM     28  C   LIG    1        5.547  -0.614   1.135  0.00  0.00    +0.085 C 
ATOM     29  C   LIG    1        6.490   0.591   1.022  0.00  0.00    +0.046 C 
ATOM     30  C   LIG    1        4.680  -0.509   2.396  0.00  0.00    +0.046 C 
BRANCH  28  31
ATOM     31  O   LIG    1        6.366  -1.781   1.287  0.00  0.00    -0.385 OA
ATOM     32  H   LIG    1        6.918  -1.652   2.076  0.00  0.00    +0.211 HD
ENDBRANCH  28  31
ENDBRANCH  24  28
ENDBRANCH  19  22
ENDBRANCH   2  19
TORSDOF 8