REMARK  Name = BDB037214
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.663  -1.133   1.471  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -0.167  -1.983   1.203  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.177   0.099   0.994  0.00  0.00    +0.300 C 
ATOM      4  O   LIG    1       -0.782   1.154   1.107  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.162  -0.023   0.311  0.00  0.00    +0.220 A 
ATOM      6  N   LIG    1        1.739   1.104  -0.141  0.00  0.00    -0.188 NA
ATOM      7  C   LIG    1        2.925   0.948  -0.750  0.00  0.00    +0.223 A 
ATOM      8  C   LIG    1        3.542  -0.274  -0.938  0.00  0.00    +0.053 A 
ATOM      9  C   LIG    1        2.862  -1.360  -0.421  0.00  0.00    +0.124 A 
ATOM     10  N   LIG    1        1.670  -1.273   0.197  0.00  0.00    -0.231 NA
BRANCH   7  11
ATOM     11  O   LIG    1        3.583   2.065  -1.227  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        2.900   3.288  -0.958  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        4.871  -0.428  -1.605  0.00  0.00    +0.185 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.929  -0.590  -0.620  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        6.206  -1.818  -0.133  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        7.203  -1.596   0.728  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        7.564  -0.237   0.791  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.722   0.390  -0.096  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.155  -1.380   2.135  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -2.269  -0.546   3.313  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.333  -2.814   2.240  0.00  0.00    -0.150 OA
BRANCH  19  24
ATOM     22  C   LIG    1       -5.075   0.716   0.267  0.00  0.00    -0.046 A 
ATOM     23  C   LIG    1       -4.170   0.240   1.225  0.00  0.00    +0.036 A 
ATOM     24  C   LIG    1       -3.280  -0.793   0.902  0.00  0.00    +0.150 A 
ATOM     25  C   LIG    1       -3.294  -1.363  -0.372  0.00  0.00    +0.147 A 
ATOM     26  C   LIG    1       -4.176  -0.874  -1.337  0.00  0.00    +0.048 A 
ATOM     27  C   LIG    1       -5.065   0.156  -1.017  0.00  0.00    +0.007 A 
BRANCH  22  29
ATOM     28  C   LIG    1       -5.380   3.205   0.337  0.00  0.00    +0.009 C 
ATOM     29  C   LIG    1       -6.013   1.848   0.603  0.00  0.00    +0.032 C 
ENDBRANCH  22  29
BRANCH  25  30
ATOM     30  O   LIG    1       -2.389  -2.333  -0.713  0.00  0.00    -0.493 OA
ATOM     31  C   LIG    1       -3.042  -3.585  -0.941  0.00  0.00    +0.277 C 
ENDBRANCH  25  30
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 8