REMARK  Name = BDB002640
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.954   0.609   0.856  0.00  0.00    +0.109 A 
ATOM      2  C   LIG    1        1.289   0.143   1.990  0.00  0.00    +0.030 A 
ATOM      3  C   LIG    1       -0.063  -0.200   1.899  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -0.748  -0.097   0.679  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1       -0.075   0.406  -0.438  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        1.276   0.756  -0.355  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1   7
ATOM      7  S   LIG    1        3.676   1.050   0.939  0.00  0.00    +0.074 S 
ATOM      8  O   LIG    1        4.150   0.724   2.270  0.00  0.00    -0.150 OA
ATOM      9  O   LIG    1        3.776   2.397   0.417  0.00  0.00    -0.150 OA
BRANCH   7  11
ATOM     10  C   LIG    1        4.303  -1.480   0.229  0.00  0.00    +0.157 C 
ATOM     11  N   LIG    1        4.386  -0.053  -0.166  0.00  0.00    -0.206 N 
BRANCH  11  12
ATOM     12  C   LIG    1        5.688   0.340  -0.642  0.00  0.00    +0.051 A 
ATOM     13  C   LIG    1        5.886   0.380  -2.024  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        7.146   0.683  -2.543  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        8.214   0.927  -1.681  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        8.026   0.860  -0.300  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        6.766   0.556   0.220  0.00  0.00    +0.025 A 
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   4  18
ATOM     18  N   LIG    1       -2.120  -0.436   0.677  0.00  0.00    -0.297 N 
ATOM     19  H   LIG    1       -2.508  -0.632   1.591  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.934  -0.868  -0.378  0.00  0.00    +0.141 C 
ATOM     21  S   LIG    1       -2.412  -1.579  -1.796  0.00  0.00    -0.018 S 
BRANCH  20  22
ATOM     22  N   LIG    1       -4.278  -0.651  -0.018  0.00  0.00    -0.264 N 
ATOM     23  H   LIG    1       -4.370   0.088   0.662  0.00  0.00    +0.157 HD
ATOM     24  C   LIG    1       -5.452  -0.972  -0.700  0.00  0.00    +0.250 C 
ATOM     25  O   LIG    1       -5.568  -1.783  -1.609  0.00  0.00    -0.270 OA
BRANCH  24  26
ATOM     26  C   LIG    1       -6.672  -0.271  -0.216  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1       -6.892  -0.018   1.144  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1       -8.051   0.649   1.548  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -8.992   1.054   0.601  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -8.784   0.786  -0.752  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -7.629   0.119  -1.161  0.00  0.00    +0.013 A 
ENDBRANCH  24  26
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH   4  18
TORSDOF 7