REMARK  Name = BDB032567
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.866  -3.512  -0.567  0.00  0.00    +0.081 S 
ATOM      2  O   LIG    1        1.499  -4.257  -1.640  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        0.611  -4.151   0.707  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1        1.795  -2.018  -0.367  0.00  0.00    +0.191 A 
ATOM      5  C   LIG    1        1.877  -1.118  -1.437  0.00  0.00    +0.151 A 
ATOM      6  C   LIG    1        2.551   0.102  -1.288  0.00  0.00    +0.056 A 
ATOM      7  C   LIG    1        3.208   0.421  -0.091  0.00  0.00    -0.011 A 
ATOM      8  C   LIG    1        3.165  -0.516   0.952  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        2.453  -1.718   0.826  0.00  0.00    +0.151 A 
BRANCH   7  10
ATOM     10  C   LIG    1        3.930   1.694   0.062  0.00  0.00    -0.018 A 
ATOM     11  C   LIG    1        3.642   2.563   1.127  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        4.325   3.773   1.275  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        5.311   4.133   0.359  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        5.613   3.285  -0.703  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        4.928   2.076  -0.850  0.00  0.00    +0.008 A 
ENDBRANCH   7  10
BRANCH   5  16
ATOM     16  O   LIG    1        1.251  -1.379  -2.631  0.00  0.00    -0.493 OA
ATOM     17  C   LIG    1        2.210  -1.648  -3.659  0.00  0.00    +0.277 C 
ENDBRANCH   5  16
BRANCH   9  18
ATOM     18  O   LIG    1        2.535  -2.618   1.851  0.00  0.00    -0.493 OA
ATOM     19  C   LIG    1        1.730  -2.215   2.961  0.00  0.00    +0.277 C 
ENDBRANCH   9  18
ENDBRANCH   1   4
BRANCH   1  20
ATOM     20  N   LIG    1       -0.614  -3.014  -1.176  0.00  0.00    -0.197 N 
ATOM     21  H   LIG    1       -0.722  -3.213  -2.165  0.00  0.00    +0.175 HD
BRANCH  20  25
ATOM     22  C   LIG    1       -3.051  -0.613  -0.251  0.00  0.00    +0.173 A 
ATOM     23  O   LIG    1       -2.237  -0.635   0.842  0.00  0.00    -0.353 OA
ATOM     24  N   LIG    1       -1.216  -1.547   0.640  0.00  0.00    -0.061 NA
ATOM     25  C   LIG    1       -1.421  -2.065  -0.571  0.00  0.00    +0.181 A 
ATOM     26  C   LIG    1       -2.562  -1.501  -1.180  0.00  0.00    +0.098 A 
BRANCH  22  28
ATOM     27  C   LIG    1       -4.954   0.540   0.929  0.00  0.00    +0.131 A 
ATOM     28  C   LIG    1       -4.167   0.327  -0.224  0.00  0.00    +0.062 A 
ATOM     29  C   LIG    1       -4.471   1.040  -1.398  0.00  0.00    +0.015 A 
ATOM     30  C   LIG    1       -5.523   1.956  -1.430  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -6.289   2.167  -0.290  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -6.009   1.462   0.883  0.00  0.00    +0.046 A 
BRANCH  27  34
ATOM     33  C   LIG    1       -5.329   0.075   3.247  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1       -4.648  -0.213   2.034  0.00  0.00    -0.494 OA
ENDBRANCH  27  34
ENDBRANCH  22  28
ENDBRANCH  20  25
ENDBRANCH   1  20
TORSDOF 8