REMARK  Name = BDB017284
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.636  -0.121  -0.469  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        3.606  -0.872   0.106  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        2.368  -0.278   0.388  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1        2.163   1.086   0.070  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        0.922   1.677   0.354  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -0.116   0.934   0.936  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1        0.096  -0.406   1.262  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        3.200   1.819  -0.529  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        1.327  -1.008   0.983  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        4.429   1.219  -0.807  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        8.361  -0.792  -0.801  0.00  0.00    +0.132 C 
ATOM     12  N   LIG    1        7.111  -0.203  -0.354  0.00  0.00    -0.304 N 
ATOM     13  C   LIG    1        5.920  -0.790  -0.778  0.00  0.00    +0.246 C 
ATOM     14  O   LIG    1        5.870  -1.840  -1.416  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1        7.215   0.772   0.723  0.00  0.00    +0.132 C 
ENDBRANCH   1  13
BRANCH   6  16
ATOM     16  C   LIG    1       -1.399   1.643   1.212  0.00  0.00    +0.167 C 
ATOM     17  O   LIG    1       -1.340   2.833   1.528  0.00  0.00    -0.292 OA
BRANCH  16  18
ATOM     18  C   LIG    1       -2.749   0.939   1.121  0.00  0.00    +0.074 C 
ATOM     19  C   LIG    1       -2.888   0.008  -0.092  0.00  0.00    +0.096 C 
ATOM     20  N   LIG    1       -4.232  -0.586  -0.258  0.00  0.00    -0.299 NA
ATOM     21  C   LIG    1       -4.926  -0.790   1.031  0.00  0.00    +0.085 C 
ATOM     22  C   LIG    1       -3.970  -0.992   2.208  0.00  0.00    +0.016 C 
ATOM     23  C   LIG    1       -3.127   0.258   2.439  0.00  0.00    +0.014 C 
BRANCH  20  24
ATOM     24  C   LIG    1       -5.058   0.253  -1.157  0.00  0.00    +0.057 C 
ATOM     25  C   LIG    1       -6.380  -0.468  -1.542  0.00  0.00    +0.019 C 
ATOM     26  C   LIG    1       -5.641  -1.125  -2.721  0.00  0.00    +0.003 C 
ATOM     27  C   LIG    1       -4.615   0.021  -2.632  0.00  0.00    +0.019 C 
ENDBRANCH  20  24
ENDBRANCH  16  18
ENDBRANCH   6  16
TORSDOF 4