REMARK  Name = BDB002567
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.013   0.551  -0.734  0.00  0.00    +0.181 C 
ATOM      2  N   LIG    1        0.631   1.793  -0.181  0.00  0.00    -0.162 NA
ATOM      3  C   LIG    1        1.293   1.598   1.139  0.00  0.00    +0.127 C 
ATOM      4  C   LIG    1        2.348   0.484   1.040  0.00  0.00    +0.126 C 
ATOM      5  N   LIG    1        1.731  -0.776   0.536  0.00  0.00    -0.173 NA
ATOM      6  C   LIG    1        1.054  -0.589  -0.780  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1       -2.182  -0.530  -0.863  0.00  0.00    -0.311 N 
ATOM      8  H   LIG    1       -1.962  -0.680  -1.840  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1       -1.251   0.063  -0.029  0.00  0.00    +0.233 C 
ATOM     10  O   LIG    1       -1.432   0.182   1.180  0.00  0.00    -0.274 OA
BRANCH   7  11
ATOM     11  C   LIG    1       -3.412  -1.126  -0.352  0.00  0.00    +0.070 C 
ATOM     12  C   LIG    1       -4.572  -0.746  -1.272  0.00  0.00    +0.028 C 
BRANCH  11  14
ATOM     13  C   LIG    1       -2.260  -3.109   0.778  0.00  0.00    +0.005 C 
ATOM     14  C   LIG    1       -3.287  -2.655  -0.252  0.00  0.00    +0.018 C 
ENDBRANCH  11  14
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   2  15
ATOM     15  S   LIG    1       -0.155   3.258  -0.467  0.00  0.00    +0.062 S 
ATOM     16  O   LIG    1        0.738   4.319  -0.052  0.00  0.00    -0.153 OA
ATOM     17  O   LIG    1       -0.655   3.208  -1.827  0.00  0.00    -0.153 OA
BRANCH  15  18
ATOM     18  C   LIG    1       -1.557   3.295   0.622  0.00  0.00    +0.106 A 
ATOM     19  C   LIG    1       -2.835   3.024   0.121  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1       -3.938   3.101   0.972  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -3.766   3.468   2.307  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -2.494   3.769   2.795  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -1.385   3.694   1.951  0.00  0.00    +0.028 A 
ENDBRANCH  15  18
ENDBRANCH   2  15
BRANCH   5  24
ATOM     24  S   LIG    1        2.613  -2.207   0.751  0.00  0.00    +0.061 S 
ATOM     25  O   LIG    1        3.120  -2.226   2.106  0.00  0.00    -0.153 OA
ATOM     26  O   LIG    1        1.817  -3.300   0.232  0.00  0.00    -0.153 OA
BRANCH  24  27
ATOM     27  C   LIG    1        4.006  -2.000  -0.339  0.00  0.00    +0.105 A 
ATOM     28  C   LIG    1        5.179  -1.410   0.143  0.00  0.00    +0.028 A 
ATOM     29  C   LIG    1        6.276  -1.267  -0.707  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        6.203  -1.726  -2.024  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        5.040  -2.338  -2.493  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        3.939  -2.485  -1.649  0.00  0.00    +0.028 A 
ENDBRANCH  24  27
ENDBRANCH   5  24
TORSDOF 7