REMARK  Name = BDB020966
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.982  -2.022   0.018  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        0.409  -1.115  -0.590  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1       -0.847  -0.663  -0.228  0.00  0.00    -0.298 N 
ATOM      4  C   LIG    1       -1.558  -1.321   0.872  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1       -3.080  -1.387   0.645  0.00  0.00    +0.124 C 
ATOM      6  N   LIG    1       -3.658  -0.060   0.354  0.00  0.00    -0.327 N 
ATOM      7  C   LIG    1       -2.727   1.002  -0.056  0.00  0.00    +0.124 C 
ATOM      8  C   LIG    1       -1.562   0.435  -0.889  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -4.973   0.218   0.699  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -5.942  -0.802   0.774  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1       -7.274  -0.536   1.113  0.00  0.00    +0.040 A 
ATOM     12  C   LIG    1       -7.662   0.765   1.382  0.00  0.00    +0.124 A 
ATOM     13  F   LIG    1       -8.935   1.025   1.706  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -6.745   1.800   1.316  0.00  0.00    +0.040 A 
ATOM     15  C   LIG    1       -5.415   1.525   0.975  0.00  0.00    +0.026 A 
ENDBRANCH   6   9
BRANCH   2  16
ATOM     16  C   LIG    1        1.076  -0.423  -1.770  0.00  0.00    +0.103 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.371  -1.114  -2.191  0.00  0.00    +0.083 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.528  -0.681  -1.319  0.00  0.00    +0.111 A 
ATOM     19  N   LIG    1        3.584  -1.231  -0.068  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1        2.839  -1.851   0.248  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1        4.547  -0.913   0.855  0.00  0.00    +0.259 A 
ATOM     22  O   LIG    1        4.556  -1.373   1.990  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1        5.572   0.038   0.392  0.00  0.00    +0.065 A 
ATOM     24  C   LIG    1        5.444   0.544  -0.905  0.00  0.00    +0.078 A 
ATOM     25  C   LIG    1        6.402   1.450  -1.364  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1        7.464   1.841  -0.543  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        7.578   1.327   0.749  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        6.630   0.422   1.223  0.00  0.00    +0.015 A 
ATOM     29  N   LIG    1        4.389   0.178  -1.759  0.00  0.00    -0.234 NA
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 4