REMARK  Name = BDB000730
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.103  -0.325   0.084  0.00  0.00    +0.192 A 
ATOM      2  N   LIG    1        1.923   0.304  -0.034  0.00  0.00    -0.207 NA
ATOM      3  C   LIG    1        0.806  -0.406   0.200  0.00  0.00    +0.129 A 
ATOM      4  C   LIG    1        0.860  -1.722   0.589  0.00  0.00    +0.084 A 
ATOM      5  C   LIG    1        2.116  -2.259   0.680  0.00  0.00    +0.135 A 
ATOM      6 CL   LIG    1        2.338  -3.894   1.152  0.00  0.00    -0.062 Cl
ATOM      7  N   LIG    1        3.255  -1.601   0.431  0.00  0.00    -0.210 NA
ENDROOT
BRANCH   3   8
ATOM      8  N   LIG    1       -0.395   0.295   0.084  0.00  0.00    -0.299 N 
ATOM      9  H   LIG    1       -0.197   1.265  -0.147  0.00  0.00    +0.154 HD
BRANCH   8  10
ATOM     10  C   LIG    1       -1.682  -0.100  -0.313  0.00  0.00    +0.036 A 
ATOM     11  C   LIG    1       -2.776   0.708  -0.004  0.00  0.00    -0.023 A 
ATOM     12  C   LIG    1       -2.788   2.003   0.756  0.00  0.00    +0.037 C 
ATOM     13  C   LIG    1       -4.175   2.554   0.403  0.00  0.00    +0.009 C 
ATOM     14  C   LIG    1       -5.079   1.339   0.163  0.00  0.00    +0.036 C 
ATOM     15  C   LIG    1       -4.088   0.334  -0.335  0.00  0.00    -0.042 A 
ATOM     16  C   LIG    1       -4.350  -0.855  -0.989  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -3.272  -1.670  -1.324  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -1.957  -1.298  -0.987  0.00  0.00    +0.023 A 
ENDBRANCH   8  10
ENDBRANCH   3   8
BRANCH   1  19
ATOM     19  S   LIG    1        4.544   0.655  -0.256  0.00  0.00    -0.075 S 
BRANCH  19  20
ATOM     20  C   LIG    1        5.847  -0.586   0.042  0.00  0.00    +0.197 C 
BRANCH  20  22
ATOM     21  O   LIG    1        8.249  -0.705  -0.022  0.00  0.00    -0.250 OA
ATOM     22  C   LIG    1        7.239  -0.029  -0.173  0.00  0.00    +0.315 C 
BRANCH  22  23
ATOM     23  O   LIG    1        7.310   1.268  -0.545  0.00  0.00    -0.480 OA
ATOM     24  H   LIG    1        6.418   1.669  -0.623  0.00  0.00    +0.295 HD
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 6