REMARK  Name = BDB033108
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.033   1.861  -1.034  0.00  0.00    +0.091 C 
ATOM      2  C   LIG    1       -1.113   0.882  -0.560  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -1.201   0.768   0.899  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -0.935   1.831   1.747  0.00  0.00    +0.216 C 
ATOM      5  O   LIG    1       -1.196   1.802   2.951  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1       -0.202   3.034   1.181  0.00  0.00    +0.098 C 
ATOM      7  C   LIG    1       -0.255   3.191  -0.328  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1  10
ATOM      8  O   LIG    1        1.395   0.104  -2.708  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        1.879   0.407  -1.622  0.00  0.00    +0.248 C 
ATOM     10  N   LIG    1        1.308   1.344  -0.790  0.00  0.00    -0.307 N 
ATOM     11  H   LIG    1        1.675   1.361   0.159  0.00  0.00    +0.149 HD
BRANCH   9  12
ATOM     12  C   LIG    1        3.134  -0.255  -1.143  0.00  0.00    +0.079 A 
ATOM     13  C   LIG    1        3.628  -0.162   0.168  0.00  0.00    +0.129 A 
ATOM     14  C   LIG    1        4.809  -0.815   0.530  0.00  0.00    +0.047 A 
ATOM     15  C   LIG    1        5.506  -1.574  -0.413  0.00  0.00    +0.016 A 
ATOM     16  C   LIG    1        5.028  -1.698  -1.725  0.00  0.00    +0.056 A 
ATOM     17  C   LIG    1        3.844  -1.028  -2.079  0.00  0.00    +0.029 A 
BRANCH  16  18
ATOM     18  C   LIG    1        5.790  -2.502  -2.751  0.00  0.00    +0.417 C 
ATOM     19  F   LIG    1        4.986  -3.094  -3.675  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        6.673  -1.739  -3.451  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1        6.523  -3.508  -2.198  0.00  0.00    -0.166 F 
ENDBRANCH  16  18
BRANCH  13  22
ATOM     22  O   LIG    1        2.959   0.562   1.122  0.00  0.00    -0.506 OA
ATOM     23  H   LIG    1        3.405   0.448   1.980  0.00  0.00    +0.292 HD
ENDBRANCH  13  22
ENDBRANCH   9  12
ENDBRANCH   1  10
BRANCH   3  24
ATOM     24  C   LIG    1       -1.897  -0.403   1.434  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.391  -0.395   1.151  0.00  0.00    -0.018 A 
ATOM     26  C   LIG    1       -4.024  -1.369   0.343  0.00  0.00    +0.059 A 
ATOM     27  C   LIG    1       -5.414  -1.280   0.125  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1       -6.170  -0.260   0.699  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -5.553   0.686   1.507  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.178   0.618   1.734  0.00  0.00    +0.006 A 
BRANCH  26  31
ATOM     31  C   LIG    1       -3.261  -2.514  -0.286  0.00  0.00    +0.418 C 
ATOM     32  F   LIG    1       -2.612  -3.278   0.636  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -4.046  -3.377  -0.989  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1       -2.309  -2.088  -1.160  0.00  0.00    -0.166 F 
ENDBRANCH  26  31
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 7