REMARK  Name = BDB033098
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.176  -1.547  -0.170  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1       -1.011  -0.683  -0.588  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -1.468  -0.129   0.666  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -1.114  -0.943   1.735  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1       -1.478  -0.817   2.892  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1       -0.235  -2.055   1.214  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        2.778  -2.601  -0.203  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.642  -1.385  -0.086  0.00  0.00    +0.248 C 
ATOM      9  N   LIG    1        1.412  -0.761  -0.101  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1        1.335   0.170   0.290  0.00  0.00    +0.149 HD
BRANCH   8  11
ATOM     11  C   LIG    1        3.845  -0.535   0.133  0.00  0.00    +0.079 A 
ATOM     12  C   LIG    1        5.034  -1.125   0.590  0.00  0.00    +0.129 A 
ATOM     13  C   LIG    1        6.170  -0.352   0.820  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        6.140   1.022   0.579  0.00  0.00    +0.016 A 
ATOM     15  C   LIG    1        4.972   1.635   0.103  0.00  0.00    +0.056 A 
ATOM     16  C   LIG    1        3.829   0.844  -0.128  0.00  0.00    +0.029 A 
BRANCH  15  17
ATOM     17  C   LIG    1        4.950   3.115  -0.200  0.00  0.00    +0.417 C 
ATOM     18  F   LIG    1        5.277   3.381  -1.494  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        3.723   3.672  -0.002  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        5.815   3.834   0.565  0.00  0.00    -0.166 F 
ENDBRANCH  15  17
BRANCH  12  21
ATOM     21  O   LIG    1        5.160  -2.467   0.833  0.00  0.00    -0.506 OA
ATOM     22  H   LIG    1        4.349  -2.914   0.502  0.00  0.00    +0.292 HD
ENDBRANCH  12  21
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  23
ATOM     23  C   LIG    1       -2.502   0.888   0.746  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.871   0.364   0.355  0.00  0.00    -0.018 A 
ATOM     25  C   LIG    1       -4.507   0.706  -0.862  0.00  0.00    +0.059 A 
ATOM     26  C   LIG    1       -5.774   0.160  -1.149  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1       -6.405  -0.705  -0.255  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -5.783  -1.036   0.942  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.530  -0.506   1.245  0.00  0.00    +0.006 A 
BRANCH  25  30
ATOM     30  C   LIG    1       -3.874   1.648  -1.861  0.00  0.00    +0.418 C 
ATOM     31  F   LIG    1       -2.668   1.200  -2.308  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1       -4.625   1.852  -2.979  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -3.644   2.886  -1.341  0.00  0.00    -0.166 F 
ENDBRANCH  25  30
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 7