REMARK  Name = BDB002413
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.737  -0.132  -0.478  0.00  0.00    -0.241 N 
ATOM      2  C   LIG    1       -1.411   0.607  -1.600  0.00  0.00    +0.121 C 
ATOM      3  S   LIG    1       -2.391   1.183  -2.823  0.00  0.00    -0.027 S 
ATOM      4  S   LIG    1        0.330   0.884  -1.655  0.00  0.00    -0.061 S 
ATOM      5  C   LIG    1        0.609   0.027  -0.200  0.00  0.00    +0.077 C 
ATOM      6  C   LIG    1        1.776  -0.205   0.417  0.00  0.00    +0.020 C 
ATOM      7  C   LIG    1       -0.679  -0.460   0.357  0.00  0.00    +0.259 C 
ATOM      8  O   LIG    1       -0.761  -1.046   1.429  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        3.089   0.224  -0.028  0.00  0.00    +0.005 C 
ATOM     10  C   LIG    1        4.211  -0.052   0.655  0.00  0.00    +0.046 C 
BRANCH  10  11
ATOM     11  C   LIG    1        5.482   0.385   0.188  0.00  0.00    +0.128 A 
ATOM     12  O   LIG    1        5.679   1.110  -0.968  0.00  0.00    -0.464 OA
ATOM     13  C   LIG    1        7.004   1.353  -1.104  0.00  0.00    +0.195 A 
ATOM     14  C   LIG    1        7.701   0.805  -0.058  0.00  0.00    +0.042 A 
ATOM     15  C   LIG    1        6.731   0.187   0.767  0.00  0.00    +0.049 A 
ENDBRANCH  10  11
ENDBRANCH   6   9
BRANCH   1  16
ATOM     16  C   LIG    1       -3.102  -0.506  -0.028  0.00  0.00    +0.193 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -4.860  -0.008   1.750  0.00  0.00    +0.009 C 
ATOM     18  C   LIG    1       -3.825   0.599   0.790  0.00  0.00    +0.015 C 
ATOM     19  C   LIG    1       -4.489   1.703  -0.029  0.00  0.00    +0.009 C 
ENDBRANCH  16  18
BRANCH  16  20
ATOM     20  C   LIG    1       -3.927  -1.275  -1.067  0.00  0.00    +0.326 C 
ATOM     21  O   LIG    1       -5.141  -1.400  -1.093  0.00  0.00    -0.249 OA
BRANCH  20  22
ATOM     22  O   LIG    1       -3.169  -1.969  -1.944  0.00  0.00    -0.479 OA
ATOM     23  H   LIG    1       -3.821  -2.428  -2.517  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  16  20
ENDBRANCH   1  16
TORSDOF 6