REMARK  Name = BDB009023
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.070   0.849   1.406  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.073   0.235   1.938  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -1.183   0.992   2.351  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -1.123   2.386   2.253  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.010   3.004   1.726  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.100   2.238   1.301  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        3.722   1.516   0.242  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1        3.347   0.369   0.462  0.00  0.00    +0.222 C 
ATOM      9  N   LIG    1        2.126   0.000   1.010  0.00  0.00    -0.285 N 
ATOM     10  H   LIG    1        1.967  -0.989   1.157  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1        4.233  -0.841   0.179  0.00  0.00    +0.131 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.233  -0.619  -0.930  0.00  0.00    -0.033 A 
ATOM     13  C   LIG    1        4.879  -0.846  -2.268  0.00  0.00    +0.042 A 
ATOM     14  C   LIG    1        5.806  -0.621  -3.284  0.00  0.00    +0.126 A 
ATOM     15  F   LIG    1        5.453  -0.849  -4.556  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1        7.086  -0.166  -3.003  0.00  0.00    +0.076 A 
ATOM     17  C   LIG    1        7.433   0.067  -1.680  0.00  0.00    +0.126 A 
ATOM     18  F   LIG    1        8.664   0.507  -1.390  0.00  0.00    -0.205 F 
ATOM     19  C   LIG    1        6.524  -0.151  -0.646  0.00  0.00    +0.042 A 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  20
ATOM     20  C   LIG    1       -2.406   0.318   2.927  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.969  -0.782   2.030  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -3.738  -0.416   0.799  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -4.009   1.022   0.452  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -5.073   1.193  -0.637  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -4.860   0.202  -1.774  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -4.915  -1.239  -1.260  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -4.167  -1.433   0.030  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -3.901  -2.836   0.435  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1       -4.294  -3.788  -0.231  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -3.195  -3.001   1.595  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -3.012  -3.953   1.894  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -2.720  -2.007   2.391  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 5