REMARK  Name = BDB003108
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.005   0.601  -0.661  0.00  0.00    +0.067 C 
ATOM      2  N   LIG    1        1.187   0.550  -0.140  0.00  0.00    -0.171 NA
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.118  -0.330  -0.356  0.00  0.00    -0.002 A 
ATOM      4  C   LIG    1       -1.667  -1.112  -1.376  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -2.728  -1.972  -1.090  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -3.239  -2.044   0.207  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -2.692  -1.258   1.222  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -1.632  -0.395   0.942  0.00  0.00    +0.010 A 
ENDBRANCH   1   3
BRANCH   1  10
ATOM      9  C   LIG    1        0.508   1.562  -2.922  0.00  0.00    +0.010 C 
ATOM     10  C   LIG    1       -0.306   1.717  -1.649  0.00  0.00    +0.054 C 
ENDBRANCH   1  10
BRANCH   2  11
ATOM     11  N   LIG    1        1.438  -0.573   0.796  0.00  0.00    -0.141 N 
ATOM     12  H   LIG    1        1.885  -1.400   0.391  0.00  0.00    +0.196 HD
BRANCH  11  13
ATOM     13  S   LIG    1        2.115  -0.217   2.317  0.00  0.00    +0.054 S 
ATOM     14  O   LIG    1        2.724  -1.444   2.786  0.00  0.00    -0.154 OA
ATOM     15  O   LIG    1        1.133   0.492   3.109  0.00  0.00    -0.154 OA
ATOM     16  C   LIG    1        3.421   0.912   1.879  0.00  0.00    +0.220 C 
ENDBRANCH  11  13
ENDBRANCH   2  11
TORSDOF 4