REMARK  Name = BDB018964
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -7.351   2.588   0.937  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -6.397   1.524   0.733  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1       -6.678   0.815   0.075  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1       -5.059   1.823   0.686  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1       -4.229   0.744   0.453  0.00  0.00    -0.278 N 
ATOM      6  C   LIG    1       -2.812   1.038   0.242  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -1.956  -0.103  -0.261  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -2.406  -1.014  -1.225  0.00  0.00    +0.125 A 
ATOM      9  C   LIG    1       -1.566  -2.005  -1.730  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -0.261  -2.121  -1.252  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        0.221  -1.234  -0.280  0.00  0.00    -0.017 A 
ATOM     12  O   LIG    1       -3.659  -0.926  -1.760  0.00  0.00    -0.490 OA
ATOM     13  C   LIG    1       -4.686  -1.321  -0.837  0.00  0.00    +0.248 C 
ATOM     14  C   LIG    1       -0.633  -0.226   0.201  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1       -4.623  -0.662   0.545  0.00  0.00    +0.150 C 
ATOM     16  O   LIG    1       -4.636   2.966   0.841  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1        1.607  -1.339   0.215  0.00  0.00    -0.006 A 
ATOM     18  C   LIG    1        2.639  -0.514  -0.325  0.00  0.00    +0.033 A 
ATOM     19  C   LIG    1        3.945  -0.602   0.210  0.00  0.00    -0.006 A 
ATOM     20  C   LIG    1        4.224  -1.534   1.219  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1        3.225  -2.356   1.728  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        1.914  -2.262   1.248  0.00  0.00    -0.042 A 
ATOM     23  C   LIG    1        0.862  -3.158   1.851  0.00  0.00    +0.044 C 
BRANCH  19  24
ATOM     24  C   LIG    1        5.040   0.244  -0.222  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        5.065   1.617  -0.108  0.00  0.00    +0.116 A 
ATOM     26  N   LIG    1        6.275   2.014  -0.598  0.00  0.00    -0.274 N 
ATOM     27  C   LIG    1        6.757   3.368  -0.725  0.00  0.00    +0.172 C 
ATOM     28  N   LIG    1        7.067   0.990  -0.971  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1        6.309  -0.086  -0.748  0.00  0.00    +0.142 A 
ENDBRANCH  19  24
BRANCH  18  30
ATOM     30  C   LIG    1        2.325   0.463  -1.442  0.00  0.00    +0.373 C 
ATOM     31  F   LIG    1        3.302   0.557  -2.390  0.00  0.00    -0.204 F 
ATOM     32  F   LIG    1        2.120   1.731  -0.981  0.00  0.00    -0.204 F 
ENDBRANCH  18  30
ENDBRANCH  11  17
TORSDOF 3