REMARK  Name = BDB031664
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.452  -0.469  -2.004  0.00  0.00    -0.214 N 
ATOM      2  H   LIG    1       -0.189  -1.296  -2.541  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.227  -0.660  -0.824  0.00  0.00    +0.073 A 
ATOM      4  C   LIG    1       -2.002   0.344  -0.224  0.00  0.00    +0.069 A 
ATOM      5  C   LIG    1       -2.754   0.122   0.933  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1       -3.405   1.344   1.259  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -3.050   2.272   0.309  0.00  0.00    +0.083 A 
ATOM      8  C   LIG    1       -2.737  -1.155   1.524  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -1.978  -2.164   0.927  0.00  0.00    +0.043 A 
ATOM     10 CL   LIG    1       -1.952  -3.733   1.639  0.00  0.00    -0.083 Cl
ATOM     11  N   LIG    1       -2.218   1.658  -0.586  0.00  0.00    -0.359 N 
ATOM     12  H   LIG    1       -1.765   2.107  -1.378  0.00  0.00    +0.165 HD
ATOM     13  C   LIG    1       -1.239  -1.927  -0.230  0.00  0.00    +0.046 A 
ENDBRANCH   1   3
BRANCH   1  14
ATOM     14  S   LIG    1        0.726   0.731  -2.086  0.00  0.00    +0.072 S 
ATOM     15  O   LIG    1        0.087   2.027  -1.989  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1        1.564   0.396  -3.217  0.00  0.00    -0.150 OA
BRANCH  14  19
ATOM     17  C   LIG    1        3.447  -0.737   0.529  0.00  0.00    +0.054 A 
ATOM     18  C   LIG    1        2.681  -0.526  -0.621  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1        1.688   0.460  -0.616  0.00  0.00    +0.110 A 
ATOM     20  C   LIG    1        1.475   1.255   0.515  0.00  0.00    +0.029 A 
ATOM     21  C   LIG    1        2.240   1.040   1.660  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1        3.222   0.045   1.669  0.00  0.00    +0.019 A 
BRANCH  17  24
ATOM     23  N   LIG    1        5.272  -2.580   0.552  0.00  0.00    -0.191 NA
ATOM     24  C   LIG    1        4.459  -1.752   0.543  0.00  0.00    +0.099 C 
ENDBRANCH  17  24
ENDBRANCH  14  19
ENDBRANCH   1  14
TORSDOF 4