REMARK  Name = BDB022063
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.429  -2.086  -0.042  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        1.289  -0.946  -0.470  0.00  0.00    +0.220 C 
ATOM      3  N   LIG    1        2.167   0.112  -0.284  0.00  0.00    -0.285 N 
ATOM      4  H   LIG    1        1.920   0.990  -0.723  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.054  -0.535  -1.280  0.00  0.00    +0.078 C 
ATOM      6  C   LIG    1       -0.811   0.416  -0.435  0.00  0.00    +0.032 C 
ATOM      7  C   LIG    1       -2.298   0.315  -0.762  0.00  0.00    +0.109 C 
ATOM      8  N   LIG    1       -2.805  -1.050  -0.643  0.00  0.00    -0.295 N 
ATOM      9  C   LIG    1       -4.127  -1.382  -0.307  0.00  0.00    +0.282 C 
ATOM     10  O   LIG    1       -4.406  -2.535   0.029  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1       -1.839  -2.139  -0.785  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -0.734  -1.762  -1.764  0.00  0.00    +0.032 C 
BRANCH   9  13
ATOM     13  C   LIG    1       -5.164  -0.361  -0.364  0.00  0.00    +0.189 A 
ATOM     14  O   LIG    1       -5.005   0.785  -1.102  0.00  0.00    -0.458 OA
ATOM     15  C   LIG    1       -6.150   1.505  -0.989  0.00  0.00    +0.196 A 
ATOM     16  C   LIG    1       -7.061   0.843  -0.203  0.00  0.00    +0.042 A 
ATOM     17  C   LIG    1       -6.434  -0.363   0.189  0.00  0.00    +0.054 A 
ENDBRANCH   9  13
ENDBRANCH   2   5
BRANCH   3  18
ATOM     18  C   LIG    1        3.383   0.104   0.431  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1        4.111   1.302   0.465  0.00  0.00    +0.035 A 
ATOM     20  C   LIG    1        5.337   1.391   1.148  0.00  0.00    +0.057 A 
ATOM     21  C   LIG    1        5.823   0.262   1.818  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        5.104  -0.932   1.790  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        3.891  -1.009   1.099  0.00  0.00    +0.023 A 
BRANCH  20  24
ATOM     24  C   LIG    1        6.093   2.695   1.189  0.00  0.00    +0.417 C 
ATOM     25  F   LIG    1        5.684   3.498   2.210  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1        5.939   3.432   0.053  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1        7.436   2.537   1.350  0.00  0.00    -0.166 F 
ENDBRANCH  20  24
ENDBRANCH   3  18
TORSDOF 4