REMARK  Name = BDB021808
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.643   0.839   0.437  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1       -2.488   0.427   0.528  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -1.446   1.263   0.939  0.00  0.00    -0.278 N 
ATOM      4  N   LIG    1       -2.125  -0.867   0.235  0.00  0.00    -0.269 N 
ATOM      5  H   LIG    1       -1.144  -1.022   0.093  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -2.969  -1.952  -0.086  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1       -2.348  -3.133  -0.522  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1       -3.100  -4.273  -0.862  0.00  0.00    +0.059 A 
ATOM      9  C   LIG    1       -4.493  -4.222  -0.738  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1       -5.103  -3.054  -0.298  0.00  0.00    +0.126 A 
ATOM     11  F   LIG    1       -6.437  -3.021  -0.179  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -4.358  -1.924   0.029  0.00  0.00    +0.061 A 
BRANCH   8  13
ATOM     13  C   LIG    1       -2.416  -5.538  -1.311  0.00  0.00    +0.418 C 
ATOM     14  F   LIG    1       -2.123  -6.362  -0.268  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -1.233  -5.304  -1.945  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -3.164  -6.275  -2.177  0.00  0.00    -0.166 F 
ENDBRANCH   8  13
ENDBRANCH   4   6
BRANCH   3  17
ATOM     17  C   LIG    1       -0.023   0.908   1.167  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1        0.751   0.598  -0.126  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1        1.852  -0.445   0.089  0.00  0.00    +0.086 C 
ATOM     20  N   LIG    1        2.533  -0.180   1.353  0.00  0.00    -0.296 NA
ATOM     21  C   LIG    1        1.669  -0.396   2.521  0.00  0.00    +0.086 C 
ATOM     22  C   LIG    1        0.177  -0.164   2.245  0.00  0.00    +0.038 C 
BRANCH  20  23
ATOM     23  C   LIG    1        3.808  -0.905   1.509  0.00  0.00    +0.141 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.880  -0.347   0.613  0.00  0.00    +0.077 A 
ATOM     25  N   LIG    1        5.550   0.770   0.940  0.00  0.00    -0.178 NA
ATOM     26  N   LIG    1        6.403   0.952  -0.078  0.00  0.00    -0.284 N 
ATOM     27  H   LIG    1        7.010   1.765  -0.055  0.00  0.00    +0.188 HD
ATOM     28  C   LIG    1        6.335  -0.023  -1.028  0.00  0.00    +0.105 A 
ATOM     29  C   LIG    1        5.356  -0.890  -0.608  0.00  0.00    +0.045 A 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   3  17
BRANCH   3  30
ATOM     30  C   LIG    1       -1.782   2.682   1.110  0.00  0.00    +0.144 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -1.330   3.519  -0.066  0.00  0.00    -0.030 A 
ATOM     32  C   LIG    1       -2.028   3.464  -1.282  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -1.608   4.221  -2.376  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -0.485   5.040  -2.268  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1        0.218   5.102  -1.067  0.00  0.00    +0.000 A 
ATOM     36  C   LIG    1       -0.202   4.346   0.030  0.00  0.00    +0.005 A 
ENDBRANCH  30  31
ENDBRANCH   3  30
TORSDOF 7