REMARK  Name = BDB026712
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        6.949   0.364  -1.089  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        5.810   0.245  -0.645  0.00  0.00    +0.218 C 
ATOM      3  N   LIG    1        4.740   0.799  -1.296  0.00  0.00    -0.285 N 
ATOM      4  H   LIG    1        4.953   1.262  -2.170  0.00  0.00    +0.155 HD
ATOM      5  C   LIG    1        3.426   0.757  -0.822  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        3.174   0.291   0.474  0.00  0.00    -0.025 A 
ATOM      7  C   LIG    1        1.859   0.269   0.952  0.00  0.00    +0.018 A 
ATOM      8  C   LIG    1        0.810   0.683   0.124  0.00  0.00    +0.038 A 
ATOM      9  C   LIG    1        1.073   1.176  -1.161  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        4.332  -0.059   1.366  0.00  0.00    +0.046 C 
ATOM     11  C   LIG    1        2.386   1.211  -1.634  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        5.498  -0.610   0.561  0.00  0.00    +0.101 C 
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -0.576   0.671   0.656  0.00  0.00    +0.251 C 
ATOM     14  N   LIG    1       -1.563  -0.008  -0.081  0.00  0.00    -0.267 N 
ATOM     15  C   LIG    1       -2.973   0.251   0.088  0.00  0.00    +0.040 A 
ATOM     16  C   LIG    1       -3.930  -0.579  -0.537  0.00  0.00    -0.026 A 
ATOM     17  C   LIG    1       -5.305  -0.300  -0.412  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1       -5.745   0.783   0.339  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -4.816   1.605   0.960  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -3.532  -1.761  -1.380  0.00  0.00    +0.038 C 
ATOM     21  C   LIG    1       -2.139  -2.236  -1.023  0.00  0.00    +0.024 C 
ATOM     22  C   LIG    1       -3.447   1.344   0.830  0.00  0.00    +0.024 A 
ATOM     23  C   LIG    1       -1.190  -1.052  -1.046  0.00  0.00    +0.114 C 
ATOM     24  O   LIG    1       -0.734   1.260   1.723  0.00  0.00    -0.270 OA
ENDBRANCH   8  13
TORSDOF 1