REMARK  Name = BDB002737
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.727  -0.244   0.857  0.00  0.00    +0.255 C 
ATOM      2  N   LIG    1       -1.795  -0.248  -0.037  0.00  0.00    -0.282 N 
ATOM      3  H   LIG    1       -1.555  -0.060  -1.007  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.795  -0.447   2.064  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -3.167  -0.482   0.234  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1       -4.105  -0.443  -0.821  0.00  0.00    +0.076 A 
ATOM      7  C   LIG    1       -5.471  -0.676  -0.546  0.00  0.00    +0.014 A 
ATOM      8  C   LIG    1       -5.909  -0.944   0.747  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -4.988  -0.982   1.783  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -3.632  -0.753   1.529  0.00  0.00    +0.024 A 
BRANCH   6  11
ATOM     11  C   LIG    1       -3.741  -0.162  -2.257  0.00  0.00    +0.419 C 
ATOM     12  F   LIG    1       -4.073  -1.186  -3.092  0.00  0.00    -0.166 F 
ATOM     13  F   LIG    1       -4.367   0.942  -2.752  0.00  0.00    -0.166 F 
ATOM     14  F   LIG    1       -2.406   0.055  -2.461  0.00  0.00    -0.166 F 
ENDBRANCH   6  11
ENDBRANCH   2   5
BRANCH   1  15
ATOM     15  C   LIG    1        0.602   0.054   0.144  0.00  0.00    +0.324 C 
BRANCH  15  16
ATOM     16  O   LIG    1        1.691   0.059   1.054  0.00  0.00    -0.483 OA
BRANCH  16  20
ATOM     17  C   LIG    1        5.581   0.801  -0.214  0.00  0.00    +0.014 A 
ATOM     18  C   LIG    1        4.564   0.814  -1.171  0.00  0.00    +0.014 A 
ATOM     19  C   LIG    1        3.240   0.569  -0.791  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1        2.933   0.313   0.547  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1        3.960   0.302   1.498  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        5.284   0.545   1.125  0.00  0.00    +0.014 A 
BRANCH  17  24
ATOM     23  O   LIG    1        7.294   1.288  -1.772  0.00  0.00    -0.296 OA
ATOM     24  C   LIG    1        6.980   1.058  -0.611  0.00  0.00    +0.258 C 
ENDBRANCH  17  24
ENDBRANCH  16  20
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 6