REMARK  Name = BDB055571
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.507   1.987  -1.222  0.00  0.00    -0.224 N 
ATOM      2  C   LIG    1       -1.292   0.872  -1.347  0.00  0.00    +0.256 C 
ATOM      3  O   LIG    1       -1.219   0.057  -2.262  0.00  0.00    -0.272 OA
ATOM      4  C   LIG    1       -2.272   0.803  -0.135  0.00  0.00    +0.164 C 
ATOM      5  N   LIG    1       -1.883   2.038   0.518  0.00  0.00    -0.278 N 
ATOM      6  H   LIG    1       -2.320   2.426   1.340  0.00  0.00    +0.152 HD
ATOM      7  C   LIG    1       -0.858   2.688  -0.115  0.00  0.00    +0.310 C 
ATOM      8  O   LIG    1       -0.369   3.729   0.291  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1       -1.935  -0.441   0.708  0.00  0.00    -0.011 A 
ATOM     10  C   LIG    1       -1.264  -0.358   1.945  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1       -0.960  -1.512   2.673  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -1.319  -2.756   2.173  0.00  0.00    +0.123 A 
ATOM     13  F   LIG    1       -1.025  -3.859   2.874  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -1.972  -2.872   0.956  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1       -2.277  -1.722   0.225  0.00  0.00    +0.009 A 
ENDBRANCH   4   9
BRANCH   4  16
ATOM     16  C   LIG    1       -3.763   0.903  -0.492  0.00  0.00    -0.011 A 
ATOM     17  C   LIG    1       -4.226   1.012  -1.817  0.00  0.00    +0.009 A 
ATOM     18  C   LIG    1       -5.593   1.111  -2.093  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1       -6.510   1.107  -1.052  0.00  0.00    +0.123 A 
ATOM     20  F   LIG    1       -7.818   1.202  -1.322  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1       -6.088   1.004   0.266  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1       -4.724   0.905   0.545  0.00  0.00    +0.009 A 
ENDBRANCH   4  16
BRANCH   1  23
ATOM     23  C   LIG    1        0.578   2.346  -2.114  0.00  0.00    +0.118 C 
BRANCH  23  24
ATOM     24  C   LIG    1        1.950   1.956  -1.555  0.00  0.00    +0.019 C 
BRANCH  24  25
ATOM     25  C   LIG    1        2.132   0.441  -1.422  0.00  0.00    +0.002 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.530   0.091  -0.907  0.00  0.00    +0.000 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.699  -1.423  -0.761  0.00  0.00    -0.000 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.106  -1.840  -0.323  0.00  0.00    -0.000 C 
BRANCH  28  30
ATOM     29  C   LIG    1        4.669  -1.718   2.189  0.00  0.00    +0.004 C 
ATOM     30  C   LIG    1        5.566  -1.302   1.034  0.00  0.00    -0.003 C 
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 9