REMARK  Name = BDB002530
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.965   1.474   0.171  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -4.629   0.805   0.323  0.00  0.00    -0.047 A 
ATOM      3  C   LIG    1       -3.459   1.494  -0.032  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -2.250   0.829   0.163  0.00  0.00    +0.136 A 
ATOM      5  C   LIG    1       -2.133  -0.448   0.688  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -0.731  -0.739   0.724  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1       -0.092   0.380   0.189  0.00  0.00    +0.194 A 
ATOM      8  C   LIG    1       -0.116  -1.980   1.264  0.00  0.00    +0.048 C 
ATOM      9  C   LIG    1       -3.311  -1.123   1.057  0.00  0.00    +0.012 A 
ATOM     10  O   LIG    1       -1.025   1.332  -0.127  0.00  0.00    -0.450 OA
ATOM     11  C   LIG    1       -4.547  -0.483   0.872  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        1.301   0.718  -0.076  0.00  0.00    +0.285 C 
ATOM     13  N   LIG    1        2.074  -0.375  -0.401  0.00  0.00    -0.257 N 
ATOM     14  H   LIG    1        1.630  -1.268  -0.549  0.00  0.00    +0.157 HD
ATOM     15  O   LIG    1        1.705   1.875  -0.036  0.00  0.00    -0.266 OA
BRANCH  13  16
ATOM     16  C   LIG    1        3.419  -0.392  -0.665  0.00  0.00    +0.188 A 
ATOM     17  S   LIG    1        4.437   0.964  -0.515  0.00  0.00    -0.036 S 
ATOM     18  C   LIG    1        5.737  -0.045  -1.004  0.00  0.00    +0.101 A 
ATOM     19  C   LIG    1        7.113   0.494  -1.131  0.00  0.00    +0.075 C 
ATOM     20  N   LIG    1        5.386  -1.292  -1.237  0.00  0.00    -0.145 NA
ATOM     21  N   LIG    1        4.035  -1.493  -1.036  0.00  0.00    -0.126 NA
ENDBRANCH  13  16
ENDBRANCH   7  12
TORSDOF 2