REMARK  Name = BDB015651
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.377  -0.220   0.638  0.00  0.00    +0.241 A 
ATOM      2  N   LIG    1       -0.450  -0.870  -0.044  0.00  0.00    -0.193 NA
ATOM      3  C   LIG    1        0.672  -0.175  -0.220  0.00  0.00    +0.170 A 
ATOM      4  N   LIG    1        0.854   1.080   0.188  0.00  0.00    -0.175 NA
ATOM      5  C   LIG    1       -0.181   1.626   0.813  0.00  0.00    +0.323 A 
ATOM      6  N   LIG    1       -1.343   1.034   1.046  0.00  0.00    -0.160 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.788  -0.851  -0.938  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1        2.897  -0.156  -1.262  0.00  0.00    +0.100 A 
ATOM      9  N   LIG    1        3.968  -0.727  -1.937  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1        5.119   0.110  -2.243  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        3.977  -2.061  -2.332  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1        4.888  -2.618  -2.936  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1        2.765  -2.841  -1.972  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1        1.751  -2.258  -1.320  0.00  0.00    +0.018 A 
ENDBRANCH   3   7
BRANCH   1  15
ATOM     15  N   LIG    1       -2.639  -0.805   0.757  0.00  0.00    -0.188 N 
ATOM     16  H   LIG    1       -3.283  -0.199   1.260  0.00  0.00    +0.176 HD
BRANCH  15  17
ATOM     17  S   LIG    1       -2.677  -2.354   1.366  0.00  0.00    +0.045 S 
ATOM     18  O   LIG    1       -4.017  -2.523   1.891  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1       -1.530  -2.570   2.222  0.00  0.00    -0.155 OA
BRANCH  17  21
ATOM     20  C   LIG    1       -3.564  -3.064  -1.153  0.00  0.00    +0.030 C 
ATOM     21  C   LIG    1       -2.534  -3.386  -0.090  0.00  0.00    +0.185 C 
ENDBRANCH  17  21
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   5  22
ATOM     22  O   LIG    1        0.016   2.936   1.190  0.00  0.00    -0.460 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -1.000   3.502   2.023  0.00  0.00    +0.171 C 
ATOM     24  C   LIG    1       -0.320   4.561   2.887  0.00  0.00    +0.052 C 
ATOM     25  C   LIG    1       -2.081   4.147   1.160  0.00  0.00    +0.052 C 
ENDBRANCH  22  23
ENDBRANCH   5  22
TORSDOF 6