REMARK  Name = BDB033119
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.342   1.931  -0.171  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1        0.597   1.123  -1.069  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1        1.830   1.873  -1.018  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1        1.909   2.652   0.123  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1        2.879   3.286   0.506  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1        0.602   2.539   0.865  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1       -2.275   0.419  -1.540  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.361   0.514  -0.319  0.00  0.00    +0.248 C 
ATOM      9  N   LIG    1       -1.412   1.162   0.437  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1       -1.643   1.316   1.416  0.00  0.00    +0.149 HD
BRANCH   8  11
ATOM     11  C   LIG    1       -3.524  -0.089   0.407  0.00  0.00    +0.079 A 
ATOM     12  C   LIG    1       -3.767   0.059   1.782  0.00  0.00    +0.129 A 
ATOM     13  C   LIG    1       -4.878  -0.549   2.377  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1       -5.760  -1.306   1.603  0.00  0.00    +0.016 A 
ATOM     15  C   LIG    1       -5.550  -1.460   0.226  0.00  0.00    +0.056 A 
ATOM     16  C   LIG    1       -4.425  -0.852  -0.358  0.00  0.00    +0.029 A 
BRANCH  15  17
ATOM     17  C   LIG    1       -6.487  -2.295  -0.614  0.00  0.00    +0.417 C 
ATOM     18  F   LIG    1       -7.724  -2.428  -0.059  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1       -6.023  -3.560  -0.802  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -6.691  -1.777  -1.856  0.00  0.00    -0.166 F 
ENDBRANCH  15  17
BRANCH  12  21
ATOM     21  O   LIG    1       -2.928   0.804   2.571  0.00  0.00    -0.506 OA
ATOM     22  H   LIG    1       -3.256   0.785   3.488  0.00  0.00    +0.292 HD
ENDBRANCH  12  21
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  23
ATOM     23  C   LIG    1        2.971   1.548  -1.850  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.633   0.256  -1.434  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        4.479   0.220  -0.314  0.00  0.00    +0.017 A 
ATOM     26  C   LIG    1        5.086  -0.978   0.097  0.00  0.00    +0.055 A 
ATOM     27  C   LIG    1        4.823  -2.152  -0.624  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1        3.981  -2.128  -1.735  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        3.388  -0.931  -2.138  0.00  0.00    +0.005 A 
BRANCH  26  30
ATOM     30  C   LIG    1        5.973  -1.000   1.317  0.00  0.00    +0.417 C 
ATOM     31  F   LIG    1        5.259  -1.030   2.477  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        6.787   0.088   1.405  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        6.799  -2.084   1.363  0.00  0.00    -0.166 F 
ENDBRANCH  26  30
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 7