REMARK  Name = BDB031684
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.418  -0.576  -2.046  0.00  0.00    -0.214 N 
ATOM      2  H   LIG    1       -0.318  -1.560  -2.284  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.409  -0.153  -1.126  0.00  0.00    +0.073 A 
ATOM      4  C   LIG    1       -1.641  -0.836   0.071  0.00  0.00    +0.089 A 
ATOM      5  C   LIG    1       -2.574  -0.407   1.013  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -2.479  -1.355   2.057  0.00  0.00    +0.158 A 
ATOM      7  N   LIG    1       -1.569  -2.301   1.818  0.00  0.00    -0.161 NA
ATOM      8 CL   LIG    1       -3.374  -1.360   3.497  0.00  0.00    -0.059 Cl
ATOM      9  C   LIG    1       -3.325   0.756   0.755  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -3.106   1.452  -0.439  0.00  0.00    +0.003 A 
ATOM     11  N   LIG    1       -1.084  -1.965   0.613  0.00  0.00    -0.274 N 
ATOM     12  H   LIG    1       -0.362  -2.552   0.212  0.00  0.00    +0.189 HD
ATOM     13  C   LIG    1       -2.159   1.004  -1.361  0.00  0.00    +0.026 A 
ENDBRANCH   1   3
BRANCH   1  14
ATOM     14  S   LIG    1        0.974   0.344  -2.274  0.00  0.00    +0.072 S 
ATOM     15  O   LIG    1        0.613   1.682  -2.686  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1        1.866  -0.477  -3.064  0.00  0.00    -0.150 OA
BRANCH  14  19
ATOM     17  C   LIG    1        3.083  -0.477   1.089  0.00  0.00    +0.054 A 
ATOM     18  C   LIG    1        2.547  -0.553  -0.200  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1        1.656   0.436  -0.633  0.00  0.00    +0.110 A 
ATOM     20  C   LIG    1        1.323   1.512   0.196  0.00  0.00    +0.029 A 
ATOM     21  C   LIG    1        1.857   1.580   1.482  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1        2.732   0.587   1.929  0.00  0.00    +0.019 A 
BRANCH  17  24
ATOM     23  N   LIG    1        4.717  -2.315   1.915  0.00  0.00    -0.191 NA
ATOM     24  C   LIG    1        3.991  -1.487   1.550  0.00  0.00    +0.099 C 
ENDBRANCH  17  24
ENDBRANCH  14  19
ENDBRANCH   1  14
TORSDOF 4