REMARK  Name = BDB002817
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.841   0.911   1.373  0.00  0.00    +0.136 A 
ATOM      2  C   LIG    1        1.518   0.646   0.995  0.00  0.00    +0.080 A 
ATOM      3  S   LIG    1        0.655   1.197  -0.382  0.00  0.00    -0.064 S 
ATOM      4  C   LIG    1       -0.752   0.366   0.080  0.00  0.00    +0.112 A 
ATOM      5  C   LIG    1       -0.611  -0.351   1.259  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -1.748  -1.081   1.694  0.00  0.00    -0.030 A 
ATOM      7  C   LIG    1       -1.816  -1.906   2.960  0.00  0.00    +0.036 C 
ATOM      8  C   LIG    1       -2.464  -3.264   2.697  0.00  0.00    +0.005 C 
ATOM      9  C   LIG    1       -3.734  -3.198   1.843  0.00  0.00    +0.005 C 
ATOM     10  C   LIG    1       -4.126  -1.790   1.393  0.00  0.00    +0.037 C 
ATOM     11  C   LIG    1       -2.925  -1.010   0.910  0.00  0.00    -0.018 A 
ATOM     12  C   LIG    1       -2.934  -0.213  -0.240  0.00  0.00    +0.076 A 
ATOM     13  N   LIG    1       -1.854   0.461  -0.686  0.00  0.00    -0.239 NA
ATOM     14  C   LIG    1        0.722  -0.174   1.790  0.00  0.00    +0.093 A 
ATOM     15  N   LIG    1        1.191  -0.729   2.939  0.00  0.00    -0.234 NA
ATOM     16  C   LIG    1        2.457  -0.421   3.225  0.00  0.00    +0.224 A 
ATOM     17  N   LIG    1        3.290   0.348   2.515  0.00  0.00    -0.220 NA
ENDROOT
BRANCH  12  18
ATOM     18  C   LIG    1       -4.125  -0.023  -1.084  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -4.144  -0.492  -2.408  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1       -5.269  -0.317  -3.216  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -6.391   0.339  -2.715  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -6.387   0.827  -1.410  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -5.260   0.650  -0.602  0.00  0.00    +0.010 A 
ENDBRANCH  12  18
BRANCH   1  24
ATOM     24  N   LIG    1        3.674   1.736   0.625  0.00  0.00    -0.327 N 
ATOM     25  H   LIG    1        3.369   1.841  -0.344  0.00  0.00    +0.148 HD
BRANCH  24  26
ATOM     26  C   LIG    1        5.103   1.457   0.719  0.00  0.00    +0.118 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.846   2.214  -0.407  0.00  0.00    +0.102 C 
BRANCH  27  29
ATOM     28  C   LIG    1        5.467   0.625  -2.220  0.00  0.00    +0.104 C 
ATOM     29  N   LIG    1        5.263   2.000  -1.756  0.00  0.00    -0.307 NA
ATOM     30  C   LIG    1        5.859   2.939  -2.709  0.00  0.00    +0.104 C 
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 5