REMARK  Name = BDB035983
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.205  -1.399  -0.727  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.807  -0.477  -0.416  0.00  0.00    +0.107 A 
ATOM      3  C   LIG    1        1.596  -1.034   0.546  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.695  -0.357   1.068  0.00  0.00    +0.059 A 
ATOM      5  C   LIG    1        2.968   0.959   0.553  0.00  0.00    -0.004 A 
ATOM      6  C   LIG    1        2.123   1.530  -0.448  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1        2.005   2.737  -1.190  0.00  0.00    +0.053 A 
ATOM      8  C   LIG    1        0.897   2.593  -2.011  0.00  0.00    +0.103 A 
ATOM      9  O   LIG    1        0.319   1.366  -1.817  0.00  0.00    -0.459 OA
ATOM     10  C   LIG    1        0.249   3.470  -3.006  0.00  0.00    +0.086 C 
ATOM     11  O   LIG    1        1.092  -2.264   0.830  0.00  0.00    -0.353 OA
ATOM     12  C   LIG    1        1.060   0.772  -0.898  0.00  0.00    +0.150 A 
ATOM     13  N   LIG    1       -0.041  -2.493   0.036  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   5  14
ATOM     14  C   LIG    1        4.108   1.734   1.054  0.00  0.00    -0.017 A 
ATOM     15  C   LIG    1        5.166   2.095   0.204  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1        6.254   2.829   0.684  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        6.300   3.211   2.023  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        5.262   2.858   2.882  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        4.175   2.124   2.401  0.00  0.00    +0.008 A 
ENDBRANCH   5  14
BRANCH   1  20
ATOM     20  N   LIG    1       -1.216  -1.208  -1.656  0.00  0.00    -0.196 N 
ATOM     21  H   LIG    1       -1.324  -0.279  -2.059  0.00  0.00    +0.175 HD
BRANCH  20  22
ATOM     22  S   LIG    1       -2.596  -2.147  -1.747  0.00  0.00    +0.081 S 
ATOM     23  O   LIG    1       -3.516  -1.421  -2.603  0.00  0.00    -0.150 OA
ATOM     24  O   LIG    1       -2.174  -3.486  -2.103  0.00  0.00    -0.150 OA
BRANCH  22  26
ATOM     25  C   LIG    1       -3.432  -0.868   0.532  0.00  0.00    +0.150 A 
ATOM     26  C   LIG    1       -3.279  -2.104  -0.114  0.00  0.00    +0.191 A 
ATOM     27  C   LIG    1       -3.682  -3.270   0.542  0.00  0.00    +0.150 A 
ATOM     28  C   LIG    1       -4.213  -3.200   1.837  0.00  0.00    +0.048 A 
ATOM     29  C   LIG    1       -4.314  -1.974   2.492  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1       -3.920  -0.808   1.842  0.00  0.00    +0.048 A 
BRANCH  25  32
ATOM     31  C   LIG    1       -4.190   1.090  -0.428  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1       -3.050   0.300  -0.078  0.00  0.00    -0.493 OA
ENDBRANCH  25  32
BRANCH  27  33
ATOM     33  O   LIG    1       -3.689  -4.487  -0.082  0.00  0.00    -0.493 OA
ATOM     34  C   LIG    1       -2.646  -5.329   0.414  0.00  0.00    +0.277 C 
ENDBRANCH  27  33
ENDBRANCH  22  26
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 6