REMARK  Name = BDB032992
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.513  -0.605  -0.125  0.00  0.00    -0.261 N 
ATOM      2  H   LIG    1        0.149  -1.415   0.357  0.00  0.00    +0.157 HD
ATOM      3  C   LIG    1       -0.352   0.304  -0.685  0.00  0.00    +0.250 C 
ATOM      4  O   LIG    1       -0.086   1.367  -1.228  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.781  -0.099  -0.571  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -2.739   0.771  -0.018  0.00  0.00    -0.038 A 
ATOM      7  C   LIG    1       -2.381   2.145   0.476  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -4.075   0.344   0.048  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -4.445  -0.921  -0.414  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -3.490  -1.776  -0.959  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -2.160  -1.366  -1.043  0.00  0.00    +0.013 A 
ENDBRANCH   3   5
BRANCH   1  15
ATOM     12  C   LIG    1        5.544   0.627  -0.551  0.00  0.00    +0.053 C 
ATOM     13  C   LIG    1        4.227   0.007  -0.259  0.00  0.00    +0.008 A 
ATOM     14  S   LIG    1        2.771   0.734  -0.794  0.00  0.00    -0.057 S 
ATOM     15  C   LIG    1        1.880  -0.529  -0.080  0.00  0.00    +0.165 A 
ATOM     16  N   LIG    1        2.585  -1.458   0.524  0.00  0.00    -0.233 NA
ATOM     17  C   LIG    1        3.929  -1.153   0.425  0.00  0.00    +0.124 A 
ENDBRANCH   1  15
TORSDOF 2