REMARK  Name = BDB033120
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.351  -1.411  -0.597  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1        0.813  -0.426  -0.451  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1        1.277  -0.598   0.901  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1        0.784  -1.739   1.499  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1        1.100  -2.183   2.592  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1       -0.171  -2.412   0.547  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1       -1.516   0.419   1.313  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.169   0.044   0.345  0.00  0.00    +0.248 C 
ATOM      9  N   LIG    1       -1.685  -0.801  -0.632  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1       -2.356  -1.247  -1.244  0.00  0.00    +0.149 HD
BRANCH   8  11
ATOM     11  C   LIG    1       -3.588   0.484   0.228  0.00  0.00    +0.079 A 
ATOM     12  C   LIG    1       -4.277   0.903   1.375  0.00  0.00    +0.129 A 
ATOM     13  C   LIG    1       -5.608   1.304   1.299  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1       -6.266   1.312   0.069  0.00  0.00    +0.016 A 
ATOM     15  C   LIG    1       -5.595   0.919  -1.099  0.00  0.00    +0.056 A 
ATOM     16  C   LIG    1       -4.248   0.516  -1.011  0.00  0.00    +0.029 A 
BRANCH  15  17
ATOM     17  C   LIG    1       -6.290   0.967  -2.439  0.00  0.00    +0.417 C 
ATOM     18  F   LIG    1       -7.640   0.816  -2.353  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1       -5.858  -0.010  -3.285  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -6.079   2.144  -3.088  0.00  0.00    -0.166 F 
ENDBRANCH  15  17
BRANCH  12  21
ATOM     21  O   LIG    1       -3.706   0.948   2.620  0.00  0.00    -0.506 OA
ATOM     22  H   LIG    1       -2.739   0.792   2.520  0.00  0.00    +0.292 HD
ENDBRANCH  12  21
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  23
ATOM     23  C   LIG    1        2.287   0.253   1.494  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.660  -0.021   0.927  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        4.231   0.839  -0.022  0.00  0.00    +0.017 A 
ATOM     26  C   LIG    1        5.499   0.573  -0.569  0.00  0.00    +0.055 A 
ATOM     27  C   LIG    1        6.197  -0.566  -0.141  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1        5.634  -1.430   0.798  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        4.372  -1.161   1.326  0.00  0.00    +0.005 A 
BRANCH  26  30
ATOM     30  C   LIG    1        6.108   1.519  -1.574  0.00  0.00    +0.417 C 
ATOM     31  F   LIG    1        6.726   2.578  -0.983  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        5.185   2.051  -2.425  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        7.046   0.932  -2.368  0.00  0.00    -0.166 F 
ENDBRANCH  26  30
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 7