REMARK  Name = BDB000189
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.038  -0.637  -0.364  0.00  0.00    +0.166 A 
ATOM      2  S   LIG    1       -3.479   0.770  -1.203  0.00  0.00    -0.051 S 
ATOM      3  C   LIG    1       -1.869   1.370  -1.061  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1       -1.100   0.426  -0.389  0.00  0.00    +0.088 A 
ATOM      5  N   LIG    1       -1.790  -0.706   0.028  0.00  0.00    -0.224 NA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -1.553   2.704  -1.579  0.00  0.00    -0.009 A 
ATOM      7  C   LIG    1       -1.773   3.027  -2.926  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -1.457   4.298  -3.412  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -0.916   5.258  -2.559  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -0.693   4.950  -1.218  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -1.010   3.680  -0.731  0.00  0.00    +0.009 A 
ENDBRANCH   3   6
BRANCH   4  12
ATOM     12  C   LIG    1        0.320   0.555  -0.082  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        0.781   0.191   1.190  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        2.136   0.301   1.515  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        3.059   0.767   0.569  0.00  0.00    -0.043 A 
ATOM     16  C   LIG    1        2.600   1.116  -0.708  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        1.244   1.005  -1.032  0.00  0.00    +0.010 A 
BRANCH  15  18
ATOM     18  C   LIG    1        4.525   0.892   0.920  0.00  0.00    +0.070 C 
BRANCH  18  19
ATOM     19  C   LIG    1        5.212  -0.427   1.193  0.00  0.00    -0.043 A 
ATOM     20  C   LIG    1        5.370  -1.375   0.172  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        6.009  -2.590   0.424  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        6.499  -2.870   1.698  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        6.350  -1.936   2.721  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.711  -0.720   2.471  0.00  0.00    +0.004 A 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   4  12
BRANCH   1  26
ATOM     25  C   LIG    1       -5.231  -1.761  -0.492  0.00  0.00    +0.235 C 
ATOM     26  N   LIG    1       -3.921  -1.642  -0.086  0.00  0.00    -0.263 N 
ATOM     27  H   LIG    1       -3.534  -2.436   0.416  0.00  0.00    +0.157 HD
ATOM     28  O   LIG    1       -5.877  -0.978  -1.179  0.00  0.00    -0.274 OA
BRANCH  25  30
ATOM     29  C   LIG    1       -6.510  -2.728   1.433  0.00  0.00    +0.033 C 
ATOM     30  C   LIG    1       -5.887  -3.036   0.078  0.00  0.00    +0.135 C 
BRANCH  30  31
ATOM     31  N   LIG    1       -4.875  -4.110   0.231  0.00  0.00    -0.320 NA
ATOM     32  H   LIG    1       -4.584  -4.410  -0.702  0.00  0.00    +0.119 HD
ATOM     33  H   LIG    1       -5.328  -4.927   0.645  0.00  0.00    +0.119 HD
ENDBRANCH  30  31
ENDBRANCH  25  30
ENDBRANCH   1  26
TORSDOF 7