REMARK  Name = BDB023234
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.424   1.312  -1.760  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1        3.381   1.957  -0.981  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        2.322   0.519  -2.103  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1        2.421  -0.469  -2.815  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.083   0.982  -1.509  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1       -0.020   0.174  -1.627  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1       -1.057   0.793  -1.003  0.00  0.00    +0.138 A 
ATOM      8  C   LIG    1       -0.645   2.007  -0.477  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1       -1.588   2.796   0.200  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -2.903   2.313   0.319  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -3.295   1.073  -0.212  0.00  0.00    +0.033 A 
ATOM     12  C   LIG    1       -2.354   0.293  -0.901  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1        0.731   2.125  -0.807  0.00  0.00    +0.063 A 
BRANCH  11  14
ATOM     14  N   LIG    1       -4.629   0.630  -0.081  0.00  0.00    -0.329 N 
ATOM     15  C   LIG    1       -5.121  -0.724  -0.167  0.00  0.00    +0.113 C 
ATOM     16  C   LIG    1       -6.358  -0.208   0.513  0.00  0.00    +0.002 C 
ATOM     17  C   LIG    1       -7.051  -1.060   1.542  0.00  0.00    +0.010 C 
ATOM     18  C   LIG    1       -8.120  -1.345   0.455  0.00  0.00    +0.001 C 
ATOM     19  C   LIG    1       -7.629  -0.077  -0.292  0.00  0.00    +0.010 C 
ATOM     20  C   LIG    1       -5.598   1.017   0.915  0.00  0.00    +0.113 C 
ENDBRANCH  11  14
ENDBRANCH   3   5
BRANCH   1  21
ATOM     21  S   LIG    1        4.991   0.925  -2.150  0.00  0.00    +0.078 S 
ATOM     22  O   LIG    1        5.829   1.806  -1.361  0.00  0.00    -0.150 OA
ATOM     23  O   LIG    1        5.104   0.915  -3.592  0.00  0.00    -0.150 OA
BRANCH  21  25
ATOM     24  C   LIG    1        4.970  -1.014  -0.187  0.00  0.00    +0.147 A 
ATOM     25  C   LIG    1        5.217  -0.720  -1.534  0.00  0.00    +0.150 A 
ATOM     26  C   LIG    1        5.657  -1.714  -2.418  0.00  0.00    +0.032 A 
ATOM     27  C   LIG    1        5.841  -3.016  -1.959  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        5.575  -3.324  -0.627  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        5.133  -2.332   0.253  0.00  0.00    +0.047 A 
BRANCH  24  30
ATOM     30  O   LIG    1        4.500  -0.019   0.627  0.00  0.00    -0.490 OA
BRANCH  30  32
ATOM     31  C   LIG    1        6.495   0.558   1.921  0.00  0.00    +0.048 C 
ATOM     32  C   LIG    1        5.063   0.049   1.943  0.00  0.00    +0.226 C 
ENDBRANCH  30  32
ENDBRANCH  24  30
ENDBRANCH  21  25
ENDBRANCH   1  21
TORSDOF 6