REMARK  Name = BDB045308
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.744  -2.201  -1.703  0.00  0.00    -0.285 OA
ATOM      2  C   LIG    1        1.707  -1.250  -0.933  0.00  0.00    +0.216 C 
ATOM      3  C   LIG    1        0.486  -0.645  -0.448  0.00  0.00    +0.161 A 
ATOM      4  C   LIG    1        0.508   0.419   0.413  0.00  0.00    +0.206 A 
ATOM      5  O   LIG    1       -0.771   0.778   0.698  0.00  0.00    -0.431 OA
ATOM      6  C   LIG    1       -1.527  -0.115  -0.028  0.00  0.00    +0.229 A 
ATOM      7  C   LIG    1        1.664   1.067   0.943  0.00  0.00    +0.231 C 
ATOM      8  O   LIG    1        1.657   2.019   1.713  0.00  0.00    -0.283 OA
ATOM      9  C   LIG    1        2.955   0.474   0.468  0.00  0.00    +0.036 A 
ATOM     10  C   LIG    1        4.161   1.025   0.919  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        5.377   0.489   0.491  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.396  -0.596  -0.387  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        4.199  -1.153  -0.843  0.00  0.00    +0.012 A 
ATOM     14  N   LIG    1       -0.814  -0.984  -0.729  0.00  0.00    -0.205 NA
ATOM     15  C   LIG    1        2.972  -0.625  -0.421  0.00  0.00    +0.035 A 
ENDROOT
BRANCH   6  16
ATOM     16  C   LIG    1       -2.979   0.017   0.072  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1       -3.582   1.003   0.868  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1       -4.974   1.105   0.945  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -5.780   0.223   0.227  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -5.196  -0.761  -0.567  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -3.805  -0.863  -0.644  0.00  0.00    +0.013 A 
ENDBRANCH   6  16
TORSDOF 1