REMARK  Name = BDB059365
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.946   0.243  -0.466  0.00  0.00    -0.108 NA
ATOM      2  H   LIG    1       -0.784   1.239  -0.688  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   1   4
ATOM      3  C   LIG    1        1.502   0.263  -0.801  0.00  0.00    +0.259 C 
ATOM      4  N   LIG    1        0.385  -0.534  -0.604  0.00  0.00    -0.228 N 
ATOM      5  H   LIG    1        0.459  -1.332   0.029  0.00  0.00    +0.171 HD
ATOM      6  O   LIG    1        1.409   1.455  -1.081  0.00  0.00    -0.269 OA
BRANCH   3   9
ATOM      7  C   LIG    1        5.196  -0.142  -0.130  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1        3.929   0.419  -0.318  0.00  0.00    +0.058 A 
ATOM      9  C   LIG    1        2.826  -0.390  -0.615  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1        2.998  -1.773  -0.745  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        4.262  -2.335  -0.559  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        5.356  -1.523  -0.248  0.00  0.00    +0.046 A 
BRANCH   7  13
ATOM     13  O   LIG    1        6.180   0.760   0.162  0.00  0.00    -0.492 OA
BRANCH  13  15
ATOM     14  C   LIG    1        8.413   1.421   0.667  0.00  0.00    +0.048 C 
ATOM     15  C   LIG    1        7.497   0.249   0.361  0.00  0.00    +0.225 C 
ENDBRANCH  13  15
ENDBRANCH   7  13
ENDBRANCH   3   9
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  S   LIG    1       -1.627   0.145   1.103  0.00  0.00    +0.074 S 
ATOM     17  O   LIG    1       -1.451   1.436   1.728  0.00  0.00    -0.152 OA
ATOM     18  O   LIG    1       -1.123  -1.074   1.707  0.00  0.00    -0.152 OA
BRANCH  16  19
ATOM     19  C   LIG    1       -3.340  -0.082   0.721  0.00  0.00    +0.107 A 
ATOM     20  C   LIG    1       -4.210   1.012   0.758  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1       -5.573   0.837   0.477  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1       -6.059  -0.457   0.165  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1       -7.423  -0.627  -0.116  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1       -8.298   0.461  -0.089  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -7.821   1.731   0.219  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -5.168  -1.544   0.145  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1       -6.467   1.919   0.501  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1       -3.814  -1.361   0.426  0.00  0.00    +0.029 A 
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 6