REMARK  Name = BDB050350
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.466   0.257  -0.837  0.00  0.00    +0.071 A 
ATOM      2  C   LIG    1       -0.561  -0.088   0.020  0.00  0.00    +0.055 A 
ATOM      3  C   LIG    1       -0.692  -1.207   0.963  0.00  0.00    +0.245 C 
ATOM      4  N   LIG    1       -1.919  -1.067   1.576  0.00  0.00    -0.307 N 
ATOM      5  H   LIG    1       -2.253  -1.763   2.230  0.00  0.00    +0.149 HD
ATOM      6  C   LIG    1       -2.684   0.044   1.072  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1        0.100  -2.106   1.152  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -1.757   0.639   0.065  0.00  0.00    -0.017 A 
ATOM      9  C   LIG    1       -1.953   1.730  -0.766  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -0.931   2.078  -1.657  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        0.269   1.345  -1.698  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1        1.735  -0.476  -0.890  0.00  0.00    +0.340 C 
ATOM     13  O   LIG    1        2.212  -0.921  -1.920  0.00  0.00    -0.245 OA
BRANCH  12  15
ATOM     14  C   LIG    1        3.528  -1.177   0.419  0.00  0.00    +0.280 C 
ATOM     15  O   LIG    1        2.300  -0.455   0.339  0.00  0.00    -0.464 OA
ENDBRANCH  12  15
ENDBRANCH   1  12
TORSDOF 2