REMARK  Name = BDB032985
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.427   1.866  -0.033  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1       -0.917   0.589   0.330  0.00  0.00    +0.099 A 
ATOM      3  C   LIG    1       -1.792  -0.395   0.834  0.00  0.00    +0.134 A 
ATOM      4  C   LIG    1       -3.139  -0.114   1.058  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -3.636   1.145   0.748  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -2.788   2.121   0.217  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1        0.542   0.290   0.130  0.00  0.00    +0.255 C 
ATOM      8  N   LIG    1        1.097  -0.578   1.043  0.00  0.00    -0.260 N 
ATOM      9  H   LIG    1        0.491  -1.011   1.731  0.00  0.00    +0.157 HD
ATOM     10  O   LIG    1        1.129   0.833  -0.802  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        2.394  -1.012   1.103  0.00  0.00    +0.167 A 
ATOM     12  S   LIG    1        3.617  -0.446   0.056  0.00  0.00    -0.028 S 
ATOM     13  C   LIG    1        4.730  -1.455   0.843  0.00  0.00    +0.185 A 
ATOM     14  C   LIG    1        4.121  -2.161   1.851  0.00  0.00    +0.153 A 
ATOM     15  N   LIG    1        2.769  -1.901   1.998  0.00  0.00    -0.231 NA
BRANCH  13  16
ATOM     16  N   LIG    1        6.104  -1.516   0.460  0.00  0.00    +0.065 N 
ATOM     17  O   LIG    1        6.487  -0.805  -0.476  0.00  0.00    -0.126 OA
ATOM     18  O   LIG    1        6.817  -2.294   1.109  0.00  0.00    -0.126 OA
ENDBRANCH  13  16
ENDBRANCH   8  11
ENDBRANCH   2   7
BRANCH   1  19
ATOM     19  N   LIG    1       -0.569   2.887  -0.483  0.00  0.00    -0.343 N 
ATOM     20  H   LIG    1        0.304   2.478  -0.846  0.00  0.00    +0.146 HD
BRANCH  19  22
ATOM     21  C   LIG    1       -1.387   3.449  -2.740  0.00  0.00    +0.024 C 
ATOM     22  C   LIG    1       -1.044   3.961  -1.350  0.00  0.00    +0.098 C 
ENDBRANCH  19  22
ENDBRANCH   1  19
BRANCH   3  23
ATOM     23  O   LIG    1       -1.330  -1.641   1.186  0.00  0.00    -0.491 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -1.676  -2.608   0.183  0.00  0.00    +0.226 C 
ATOM     25  C   LIG    1       -0.925  -3.890   0.494  0.00  0.00    +0.048 C 
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 7