REMARK  Name = BDB023236
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.914  -0.051   3.151  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1        1.654  -0.444   2.247  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        1.297   1.150   3.519  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1        1.626   1.818   4.488  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.232   1.510   2.609  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1       -0.022   0.711   1.521  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1       -1.046   1.282   0.832  0.00  0.00    +0.138 A 
ATOM      8  C   LIG    1       -1.463   2.446   1.461  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1       -2.512   3.177   0.884  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -3.094   2.694  -0.301  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -2.664   1.505  -0.915  0.00  0.00    +0.033 A 
ATOM     12  C   LIG    1       -1.605   0.782  -0.343  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1       -0.636   2.586   2.604  0.00  0.00    +0.063 A 
BRANCH  11  14
ATOM     14  N   LIG    1       -3.267   1.059  -2.110  0.00  0.00    -0.328 N 
ATOM     15  C   LIG    1       -4.588   1.371  -2.604  0.00  0.00    +0.118 C 
ATOM     16  C   LIG    1       -4.426   0.178  -3.485  0.00  0.00    +0.049 C 
ATOM     17  C   LIG    1       -5.574  -0.719  -3.777  0.00  0.00    +0.172 C 
ATOM     18  O   LIG    1       -5.356  -0.550  -5.210  0.00  0.00    -0.378 OA
ATOM     19  C   LIG    1       -4.239   0.354  -4.954  0.00  0.00    +0.172 C 
ATOM     20  C   LIG    1       -3.287  -0.285  -2.640  0.00  0.00    +0.118 C 
ENDBRANCH  11  14
ENDBRANCH   3   5
BRANCH   1  21
ATOM     21  S   LIG    1        3.433  -0.453   3.683  0.00  0.00    +0.078 S 
ATOM     22  O   LIG    1        3.330  -0.855   5.070  0.00  0.00    -0.150 OA
ATOM     23  O   LIG    1        4.366   0.561   3.241  0.00  0.00    -0.150 OA
BRANCH  21  25
ATOM     24  C   LIG    1        3.551  -1.981   1.378  0.00  0.00    +0.147 A 
ATOM     25  C   LIG    1        3.818  -1.914   2.748  0.00  0.00    +0.150 A 
ATOM     26  C   LIG    1        4.406  -3.001   3.404  0.00  0.00    +0.032 A 
ATOM     27  C   LIG    1        4.720  -4.156   2.687  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        4.440  -4.229   1.323  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        3.849  -3.147   0.669  0.00  0.00    +0.047 A 
BRANCH  24  30
ATOM     30  O   LIG    1        2.906  -0.953   0.744  0.00  0.00    -0.490 OA
BRANCH  30  32
ATOM     31  C   LIG    1        3.127   1.051  -0.529  0.00  0.00    +0.048 C 
ATOM     32  C   LIG    1        3.788  -0.263  -0.154  0.00  0.00    +0.226 C 
ENDBRANCH  30  32
ENDBRANCH  24  30
ENDBRANCH  21  25
ENDBRANCH   1  21
TORSDOF 6