REMARK  Name = BDB001032
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.798   1.547   2.617  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -5.199   1.010   1.692  0.00  0.00    +0.257 A 
ATOM      3  C   LIG    1       -5.752  -0.183   0.978  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -5.020  -0.766  -0.079  0.00  0.00    -0.007 A 
ATOM      5  C   LIG    1       -5.549  -1.880  -0.738  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -6.786  -2.404  -0.349  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -7.503  -1.822   0.698  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -3.736  -0.173  -0.436  0.00  0.00    -0.011 A 
ATOM      9  C   LIG    1       -2.784  -0.613  -1.513  0.00  0.00    +0.073 C 
ATOM     10  C   LIG    1       -1.681   0.402  -1.343  0.00  0.00    -0.032 A 
ATOM     11  C   LIG    1       -2.004   1.294  -0.302  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -1.153   2.333   0.038  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        0.042   2.471  -0.675  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        0.364   1.564  -1.704  0.00  0.00    +0.106 A 
ATOM     15  C   LIG    1       -0.502   0.523  -2.059  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1       -3.292   0.897   0.237  0.00  0.00    +0.054 A 
ATOM     17  C   LIG    1       -6.988  -0.710   1.364  0.00  0.00    +0.014 A 
ATOM     18  N   LIG    1       -3.974   1.477   1.256  0.00  0.00    -0.321 N 
ATOM     19  H   LIG    1       -3.607   2.287   1.736  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  14  20
ATOM     20  S   LIG    1        1.885   1.763  -2.606  0.00  0.00    +0.058 S 
ATOM     21  O   LIG    1        1.654   1.319  -3.962  0.00  0.00    -0.153 OA
ATOM     22  O   LIG    1        2.424   3.070  -2.304  0.00  0.00    -0.153 OA
BRANCH  20  23
ATOM     23  N   LIG    1        2.877   0.615  -1.891  0.00  0.00    -0.190 NA
ATOM     24  H   LIG    1        2.875  -0.289  -2.361  0.00  0.00    +0.148 HD
BRANCH  23  25
ATOM     25  C   LIG    1        3.187   0.698  -0.467  0.00  0.00    +0.107 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.516  -0.002  -0.208  0.00  0.00    +0.038 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.915   0.112   1.260  0.00  0.00    +0.124 C 
BRANCH  27  28
ATOM     28  N   LIG    1        6.145  -0.599   1.546  0.00  0.00    -0.337 N 
ATOM     29  C   LIG    1        7.407  -0.089   1.442  0.00  0.00    +0.199 A 
ATOM     30  N   LIG    1        8.310  -0.981   1.782  0.00  0.00    -0.244 NA
ATOM     31  C   LIG    1        7.601  -2.103   2.124  0.00  0.00    +0.130 A 
ATOM     32  C   LIG    1        6.250  -1.888   1.987  0.00  0.00    +0.106 A 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH  20  23
ENDBRANCH  14  20
TORSDOF 6