REMARK  Name = BDB002271
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.016   0.039   0.270  0.00  0.00    +0.170 A 
ATOM      2  S   LIG    1       -1.576   0.603   1.888  0.00  0.00    -0.014 S 
ATOM      3  S   LIG    1        0.305  -0.150   1.806  0.00  0.00    -0.010 S 
ATOM      4  C   LIG    1        0.107  -0.763   0.175  0.00  0.00    +0.197 A 
ATOM      5  N   LIG    1        0.993  -1.367  -0.529  0.00  0.00    -0.251 NA
ATOM      6  N   LIG    1       -1.115  -0.591  -0.421  0.00  0.00    -0.199 NA
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -3.682  -0.304  -1.489  0.00  0.00    +0.131 C 
ATOM      8  N   LIG    1       -3.292   0.289  -0.212  0.00  0.00    -0.315 N 
ATOM      9  C   LIG    1       -4.397   0.700   0.645  0.00  0.00    +0.131 C 
ENDBRANCH   1   8
BRANCH   5  10
ATOM     10  C   LIG    1        2.331  -1.609  -0.001  0.00  0.00    +0.218 C 
BRANCH  10  11
ATOM     11  C   LIG    1        3.203  -0.418  -0.176  0.00  0.00    +0.126 A 
ATOM     12  O   LIG    1        3.981  -0.067   0.888  0.00  0.00    -0.466 OA
ATOM     13  C   LIG    1        4.684   1.034   0.519  0.00  0.00    +0.195 A 
ATOM     14  C   LIG    1        4.373   1.395  -0.771  0.00  0.00    +0.041 A 
ATOM     15  C   LIG    1        3.416   0.456  -1.222  0.00  0.00    +0.046 A 
ENDBRANCH  10  11
ENDBRANCH   5  10
TORSDOF 3