REMARK  Name = BDB058441
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.007  -0.997  -1.041  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        1.046  -1.995  -1.216  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -0.314  -1.678  -1.252  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -0.736  -0.350  -1.109  0.00  0.00    -0.030 A 
ATOM      5  C   LIG    1        0.230   0.646  -0.913  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        1.592   0.324  -0.880  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        3.297  -1.448  -1.015  0.00  0.00    -0.485 OA
BRANCH   7   9
ATOM      8  C   LIG    1        5.545  -1.250  -1.763  0.00  0.00    +0.057 C 
ATOM      9  C   LIG    1        4.362  -0.496  -1.153  0.00  0.00    +0.200 C 
BRANCH   9  10
ATOM     10  C   LIG    1        4.775   0.106   0.183  0.00  0.00    -0.007 A 
ATOM     11  C   LIG    1        5.298   1.410   0.228  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        5.694   1.972   1.443  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1        5.573   1.233   2.613  0.00  0.00    +0.123 A 
ATOM     14  F   LIG    1        5.952   1.775   3.777  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1        5.067  -0.060   2.592  0.00  0.00    +0.039 A 
ATOM     16  C   LIG    1        4.671  -0.625   1.379  0.00  0.00    +0.010 A 
ENDBRANCH   9  10
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  C   LIG    1       -2.208  -0.011  -1.127  0.00  0.00    +0.137 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -2.814  -0.450   0.122  0.00  0.00    -0.340 N 
ATOM     19  H   LIG    1       -2.190  -0.349   0.918  0.00  0.00    +0.146 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -4.139  -0.134   0.418  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1       -5.081   0.244  -0.544  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1       -6.416   0.485  -0.188  0.00  0.00    +0.061 A 
ATOM     23  C   LIG    1       -6.847   0.292   1.127  0.00  0.00    +0.015 A 
ATOM     24  C   LIG    1       -5.930  -0.123   2.088  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -4.595  -0.338   1.730  0.00  0.00    +0.023 A 
BRANCH  22  26
ATOM     26  C   LIG    1       -7.356   0.911  -1.249  0.00  0.00    +0.337 C 
ATOM     27  O   LIG    1       -7.333   0.465  -2.382  0.00  0.00    -0.245 OA
BRANCH  26  28
ATOM     28  O   LIG    1       -8.204   1.881  -0.844  0.00  0.00    -0.477 OA
ATOM     29  H   LIG    1       -7.995   2.260   0.030  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  22  26
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 8