REMARK  Name = BDB002489
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.348  -1.596  -1.070  0.00  0.00    +0.151 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.833  -2.450  -1.406  0.00  0.00    +0.124 A 
ATOM      3  O   LIG    1       -2.051  -1.944  -1.045  0.00  0.00    -0.466 OA
ATOM      4  C   LIG    1       -2.991  -2.839  -1.437  0.00  0.00    +0.195 A 
ATOM      5  C   LIG    1       -2.402  -3.908  -2.068  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -1.009  -3.655  -2.059  0.00  0.00    +0.046 A 
ENDBRANCH   1   2
BRANCH   1   7
ATOM      7  N   LIG    1        0.638  -0.787  -2.265  0.00  0.00    -0.179 NA
ATOM      8  H   LIG    1        0.154  -1.002  -3.136  0.00  0.00    +0.149 HD
BRANCH   7   9
ATOM      9  S   LIG    1        1.115   0.801  -2.080  0.00  0.00    +0.059 S 
ATOM     10  O   LIG    1        2.164   0.809  -1.079  0.00  0.00    -0.153 OA
ATOM     11  O   LIG    1        1.320   1.335  -3.405  0.00  0.00    -0.153 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -0.326   1.576  -1.396  0.00  0.00    +0.105 A 
ATOM     13  C   LIG    1       -0.326   2.011  -0.068  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1       -1.471   2.612   0.457  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -2.611   2.786  -0.340  0.00  0.00    -0.050 A 
ATOM     16  C   LIG    1       -3.828   3.465   0.217  0.00  0.00    +0.044 C 
ATOM     17  C   LIG    1       -2.583   2.376  -1.680  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1       -1.445   1.766  -2.210  0.00  0.00    +0.029 A 
ENDBRANCH   9  12
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   1  19
ATOM     19  C   LIG    1        1.592  -2.405  -0.695  0.00  0.00    +0.124 C 
BRANCH  19  22
ATOM     20  N   LIG    1        2.561  -1.021   1.043  0.00  0.00    -0.313 N 
ATOM     21  H   LIG    1        2.718  -0.344   0.292  0.00  0.00    +0.149 HD
ATOM     22  C   LIG    1        1.908  -2.199   0.767  0.00  0.00    +0.215 C 
ATOM     23  O   LIG    1        1.582  -3.012   1.625  0.00  0.00    -0.276 OA
BRANCH  20  24
ATOM     24  C   LIG    1        2.939  -0.645   2.392  0.00  0.00    +0.132 C 
BRANCH  24  25
ATOM     25  C   LIG    1        1.761  -0.117   3.217  0.00  0.00    +0.178 C 
BRANCH  25  27
ATOM     26  C   LIG    1        2.637   1.758   4.388  0.00  0.00    +0.194 C 
ATOM     27  O   LIG    1        2.187   0.413   4.475  0.00  0.00    -0.381 OA
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  20  24
ENDBRANCH  19  22
ENDBRANCH   1  19
TORSDOF 9