REMARK  Name = BDB007282
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.518  -2.584  -1.589  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -1.891  -1.682  -1.043  0.00  0.00    +0.257 A 
ATOM      3  C   LIG    1       -2.574  -0.533  -0.399  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -1.813   0.481   0.217  0.00  0.00    -0.004 A 
ATOM      5  C   LIG    1       -2.524   1.542   0.809  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -3.924   1.587   0.786  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -4.650   0.573   0.172  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -0.337   0.385   0.212  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        0.274  -0.720  -0.409  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1        1.668  -0.874  -0.450  0.00  0.00    +0.038 A 
ATOM     11  C   LIG    1        2.505   0.083   0.135  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        1.907   1.186   0.755  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        0.514   1.336   0.794  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1       -3.977  -0.489  -0.422  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1       -0.519  -1.705  -1.009  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1       -0.098  -2.507  -1.460  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1        3.963  -0.025   0.123  0.00  0.00    +0.179 A 
ATOM     18  N   LIG    1        4.694  -1.037  -0.440  0.00  0.00    -0.239 N 
ATOM     19  H   LIG    1        4.391  -1.865  -0.932  0.00  0.00    +0.192 HD
ATOM     20  N   LIG    1        6.005  -0.823  -0.270  0.00  0.00    -0.046 NA
ATOM     21  N   LIG    1        6.081   0.318   0.396  0.00  0.00    -0.023 NA
ATOM     22  N   LIG    1        4.830   0.824   0.646  0.00  0.00    -0.108 NA
ENDBRANCH  11  17
TORSDOF 1