REMARK  Name = BDB037108
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.099  -0.639  -0.541  0.00  0.00    +0.263 C 
ATOM      2  N   LIG    1        0.654  -1.652   0.245  0.00  0.00    -0.181 N 
ATOM      3  H   LIG    1        0.215  -2.009   1.085  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1        0.641  -0.185  -1.536  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -3.352   0.860  -0.695  0.00  0.00    +0.126 A 
ATOM      6  C   LIG    1       -3.767   0.841   0.643  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1       -2.892   0.320   1.610  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -1.630  -0.164   1.248  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -1.223  -0.128  -0.091  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1       -2.083   0.403  -1.060  0.00  0.00    +0.059 A 
BRANCH   5  12
ATOM     11  C   LIG    1       -4.611   0.416  -2.584  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -4.187   1.400  -1.637  0.00  0.00    -0.495 OA
ENDBRANCH   5  12
BRANCH   6  13
ATOM     13  C   LIG    1       -5.136   1.339   1.045  0.00  0.00    +0.182 C 
BRANCH  13  14
ATOM     14  N   LIG    1       -6.050   0.236   1.317  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1       -6.668  -0.408   0.305  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1       -7.426  -1.318   0.923  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1       -7.308  -1.254   2.322  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1       -6.416  -0.233   2.550  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  S   LIG    1        2.166  -2.301   0.009  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1        2.253  -2.795  -1.348  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        2.404  -3.195   1.124  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1        3.250  -0.911   0.191  0.00  0.00    +0.152 A 
ATOM     23  C   LIG    1        3.310  -0.221   1.406  0.00  0.00    +0.147 A 
ATOM     24  C   LIG    1        4.180   0.864   1.527  0.00  0.00    +0.050 A 
ATOM     25  C   LIG    1        5.001   1.234   0.456  0.00  0.00    +0.031 A 
ATOM     26  C   LIG    1        4.949   0.534  -0.759  0.00  0.00    +0.067 A 
ATOM     27  C   LIG    1        4.065  -0.543  -0.891  0.00  0.00    +0.060 A 
BRANCH  26  28
ATOM     28  N   LIG    1        5.793   0.936  -1.834  0.00  0.00    -0.240 N 
ATOM     29  N   LIG    1        6.677   1.958  -1.681  0.00  0.00    -0.175 NA
ATOM     30  C   LIG    1        7.304   2.044  -2.854  0.00  0.00    +0.135 A 
ATOM     31  C   LIG    1        6.844   1.098  -3.780  0.00  0.00    +0.041 A 
ATOM     32  C   LIG    1        5.872   0.401  -3.104  0.00  0.00    +0.114 A 
ENDBRANCH  26  28
BRANCH  23  33
ATOM     33  O   LIG    1        2.456  -0.565   2.420  0.00  0.00    -0.493 OA
ATOM     34  C   LIG    1        3.117  -0.738   3.674  0.00  0.00    +0.277 C 
ENDBRANCH  23  33
ENDBRANCH  19  22
ENDBRANCH   2  19
TORSDOF 8