REMARK  Name = BDB063320
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.845   0.629   0.943  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1        0.325  -0.044   1.351  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1        1.571   0.297   0.616  0.00  0.00    +0.165 C 
ATOM      4  C   LIG    1        2.103   1.532   1.332  0.00  0.00    +0.070 C 
ATOM      5  C   LIG    1        1.873   1.157   2.782  0.00  0.00    +0.186 C 
ATOM      6  F   LIG    1        1.647   2.266   3.523  0.00  0.00    -0.244 F 
ATOM      7  C   LIG    1        0.646   0.242   2.760  0.00  0.00    +0.145 C 
ATOM      8  O   LIG    1       -0.950   1.845   1.114  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1       -2.052  -0.295   0.512  0.00  0.00    +0.072 C 
ATOM     10  C   LIG    1       -1.584  -1.650  -0.108  0.00  0.00    +0.026 C 
ATOM     11  C   LIG    1       -1.140  -2.730   0.877  0.00  0.00    +0.077 C 
ATOM     12  C   LIG    1       -2.130  -2.906   2.006  0.00  0.00    +0.249 C 
ATOM     13  F   LIG    1       -3.300  -3.386   1.513  0.00  0.00    -0.206 F 
ATOM     14  F   LIG    1       -1.664  -3.837   2.874  0.00  0.00    -0.206 F 
ATOM     15  C   LIG    1       -2.390  -1.614   2.749  0.00  0.00    +0.077 C 
ATOM     16  C   LIG    1       -2.890  -0.512   1.817  0.00  0.00    +0.026 C 
BRANCH   9  20
ATOM     17  C   LIG    1       -4.634   1.528  -2.577  0.00  0.00    +0.120 A 
ATOM     18  C   LIG    1       -5.049   0.404  -1.874  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1       -4.220  -0.161  -0.893  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1       -2.958   0.384  -0.570  0.00  0.00    -0.032 A 
ATOM     21  C   LIG    1       -2.554   1.501  -1.317  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1       -3.382   2.067  -2.296  0.00  0.00    +0.046 A 
BRANCH  17  24
ATOM     23  C   LIG    1       -6.639   1.684  -3.839  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1       -5.337   2.177  -3.554  0.00  0.00    -0.495 OA
ENDBRANCH  17  24
ENDBRANCH   9  20
ENDBRANCH   1   9
BRANCH   3  25
ATOM     25  C   LIG    1        1.543   0.442  -0.918  0.00  0.00    +0.239 C 
ATOM     26  N   LIG    1        2.688   0.505  -1.657  0.00  0.00    -0.269 N 
ATOM     27  H   LIG    1        2.492   0.682  -2.634  0.00  0.00    +0.156 HD
ATOM     28  O   LIG    1        0.487   0.539  -1.549  0.00  0.00    -0.273 OA
BRANCH  26  29
ATOM     29  C   LIG    1        4.019   0.268  -1.302  0.00  0.00    +0.126 A 
ATOM     30  N   LIG    1        4.324  -0.126  -0.055  0.00  0.00    -0.229 NA
ATOM     31  C   LIG    1        5.639  -0.347   0.184  0.00  0.00    +0.110 A 
ATOM     32  C   LIG    1        6.627  -0.189  -0.775  0.00  0.00    +0.084 A 
ATOM     33  N   LIG    1        7.798  -0.505  -0.140  0.00  0.00    -0.275 N 
ATOM     34  H   LIG    1        8.735  -0.503  -0.526  0.00  0.00    +0.189 HD
ATOM     35  N   LIG    1        7.643  -0.856   1.153  0.00  0.00    -0.180 NA
ATOM     36  C   LIG    1        6.324   0.212  -2.070  0.00  0.00    +0.032 A 
ATOM     37  C   LIG    1        6.322  -0.757   1.345  0.00  0.00    +0.162 A 
ATOM     38  C   LIG    1        4.968   0.439  -2.316  0.00  0.00    +0.046 A 
ENDBRANCH  26  29
ENDBRANCH   3  25
TORSDOF 5