REMARK  Name = BDB002288
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.123  -1.123   0.633  0.00  0.00    +0.150 C 
ATOM      2  S   LIG    1       -0.927  -0.694  -0.846  0.00  0.00    -0.067 S 
ATOM      3  C   LIG    1       -1.398   0.886  -0.084  0.00  0.00    +0.201 C 
ATOM      4  N   LIG    1       -0.771   0.883   1.252  0.00  0.00    -0.248 N 
ATOM      5  H   LIG    1       -1.500   1.127   1.936  0.00  0.00    +0.170 HD
ATOM      6  N   LIG    1       -0.138  -0.276   1.613  0.00  0.00    -0.172 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.909   1.090  -0.030  0.00  0.00    +0.073 A 
ATOM      8  N   LIG    1       -3.499   1.151   1.199  0.00  0.00    -0.257 NA
ATOM      9  C   LIG    1       -4.836   1.340   1.243  0.00  0.00    +0.111 A 
ATOM     10  C   LIG    1       -5.630   1.486   0.119  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -5.020   1.435  -1.127  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -3.644   1.238  -1.208  0.00  0.00    +0.026 A 
ENDBRANCH   3   7
BRANCH   1  13
ATOM     13  S   LIG    1        0.625  -2.681   0.733  0.00  0.00    -0.093 S 
BRANCH  13  14
ATOM     14  C   LIG    1        2.191  -2.200   1.511  0.00  0.00    +0.111 C 
BRANCH  14  18
ATOM     15  C   LIG    1        4.740   0.024  -1.169  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        4.641  -1.361  -1.290  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        3.820  -2.082  -0.421  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        3.091  -1.424   0.581  0.00  0.00    -0.037 A 
ATOM     19  C   LIG    1        3.197  -0.030   0.690  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        4.018   0.689  -0.180  0.00  0.00    +0.000 A 
ENDBRANCH  14  18
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 4