REMARK  Name = BDB002734
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.219  -0.775  -0.281  0.00  0.00    +0.151 C 
ATOM      2  S   LIG    1        0.172  -1.843  -1.513  0.00  0.00    -0.017 S 
ENDROOT
BRANCH   1   3
ATOM      3  N   LIG    1       -1.437  -0.162  -0.037  0.00  0.00    -0.293 N 
ATOM      4  H   LIG    1       -1.589   0.098   0.935  0.00  0.00    +0.154 HD
BRANCH   3   6
ATOM      5  C   LIG    1       -3.785   0.352  -0.102  0.00  0.00    +0.141 A 
ATOM      6  C   LIG    1       -2.616  -0.021  -0.809  0.00  0.00    +0.076 A 
ATOM      7  C   LIG    1       -2.673  -0.167  -2.196  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -3.884   0.012  -2.866  0.00  0.00    +0.043 A 
ATOM      9 CL   LIG    1       -3.949  -0.171  -4.577  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1       -5.040   0.350  -2.170  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -4.992   0.527  -0.786  0.00  0.00    +0.049 A 
BRANCH   5  13
ATOM     12  C   LIG    1       -4.779   0.854   2.012  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1       -3.623   0.512   1.256  0.00  0.00    -0.493 OA
ENDBRANCH   5  13
ENDBRANCH   3   6
ENDBRANCH   1   3
BRANCH   1  14
ATOM     14  N   LIG    1        0.689  -0.435   0.727  0.00  0.00    -0.246 N 
ATOM     15  H   LIG    1        0.538   0.444   1.226  0.00  0.00    +0.172 HD
BRANCH  14  16
ATOM     16  N   LIG    1        2.049  -0.775   0.596  0.00  0.00    -0.235 N 
ATOM     17  H   LIG    1        2.271  -1.474  -0.112  0.00  0.00    +0.173 HD
ATOM     18  C   LIG    1        2.981   0.141   1.036  0.00  0.00    +0.238 C 
ATOM     19  O   LIG    1        2.703   1.133   1.701  0.00  0.00    -0.274 OA
BRANCH  18  20
ATOM     20  C   LIG    1        4.394  -0.171   0.665  0.00  0.00    +0.081 C 
ATOM     21  C   LIG    1        4.828   0.118  -0.767  0.00  0.00    +0.133 C 
ATOM     22 CL   LIG    1        6.007  -0.931  -1.552  0.00  0.00    -0.100 Cl
ATOM     23 CL   LIG    1        3.698   0.828  -1.921  0.00  0.00    -0.100 Cl
ATOM     24  C   LIG    1        5.310   1.003   0.343  0.00  0.00    +0.058 C 
ATOM     25  C   LIG    1        5.026  -1.313   1.431  0.00  0.00    +0.024 C 
ENDBRANCH  18  20
ENDBRANCH  14  16
ENDBRANCH   1  14
TORSDOF 6