REMARK  Name = BDB056753
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.156  -1.347   1.246  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        2.236  -0.678   0.424  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1        0.912  -0.611   0.878  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        0.499  -1.194   2.072  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1       -0.840  -0.992   2.280  0.00  0.00    -0.229 NA
ATOM      6  C   LIG    1       -1.273  -0.312   1.234  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1        1.429  -1.879   2.868  0.00  0.00    +0.033 A 
ATOM      8  N   LIG    1       -0.233  -0.043   0.368  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1       -0.324   0.696  -0.869  0.00  0.00    +0.150 C 
ATOM     10  C   LIG    1        2.759  -1.954   2.439  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1        4.482  -1.504   0.894  0.00  0.00    -0.456 OA
BRANCH  11  14
ATOM     12  C   LIG    1        5.802  -1.855  -1.584  0.00  0.00    +0.047 C 
ATOM     13  C   LIG    1        5.811  -0.548  -0.845  0.00  0.00    -0.005 A 
ATOM     14  C   LIG    1        5.128  -0.403   0.374  0.00  0.00    +0.131 A 
ATOM     15  C   LIG    1        5.165   0.808   1.078  0.00  0.00    +0.049 A 
ATOM     16  C   LIG    1        5.855   1.897   0.547  0.00  0.00    +0.042 A 
ATOM     17  C   LIG    1        6.511   1.762  -0.670  0.00  0.00    +0.124 A 
ATOM     18  F   LIG    1        7.173   2.809  -1.180  0.00  0.00    -0.205 F 
ATOM     19  C   LIG    1        6.499   0.556  -1.366  0.00  0.00    +0.045 A 
ENDBRANCH  11  14
ENDBRANCH   1  11
BRANCH   6  20
ATOM     20  C   LIG    1       -2.684   0.137   1.019  0.00  0.00    +0.303 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -3.093  -0.344  -0.262  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -4.372  -0.062  -0.654  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1       -5.297   0.708   0.051  0.00  0.00    +0.060 A 
ATOM     24  C   LIG    1       -6.582   0.921  -0.475  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1       -6.937   0.361  -1.708  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -6.012  -0.407  -2.413  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -4.736  -0.615  -1.886  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -7.527   1.749   0.311  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1       -7.280   2.298   1.369  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -8.738   1.853  -0.265  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1       -9.249   2.411   0.358  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 7