REMARK  Name = BDB051098
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.879  -0.133  -0.130  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.748   0.450  -1.387  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.325   1.189  -1.699  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.743   0.281  -2.345  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.890  -0.455  -2.035  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -3.060  -1.011  -0.757  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -2.037  -0.854   0.191  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1       -0.218   0.546   1.982  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.142   0.052   0.915  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1        1.434  -0.380   0.681  0.00  0.00    -0.297 N 
ATOM     11  C   LIG    1        2.455  -0.190   1.700  0.00  0.00    +0.118 C 
ATOM     12  C   LIG    1        3.712  -0.668   0.991  0.00  0.00    +0.019 C 
ATOM     13  C   LIG    1        4.920  -1.035   1.876  0.00  0.00    +0.117 C 
ATOM     14  N   LIG    1        5.725  -0.253   0.949  0.00  0.00    -0.300 N 
ATOM     15  C   LIG    1        7.015   0.163   1.141  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1        7.774  -0.312   1.977  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        4.589   0.458   0.386  0.00  0.00    +0.117 C 
ATOM     18  C   LIG    1        3.238  -1.723  -0.008  0.00  0.00    +0.030 C 
ATOM     19  C   LIG    1        1.914  -1.138  -0.468  0.00  0.00    +0.109 C 
BRANCH  15  20
ATOM     20  C   LIG    1        7.465   1.276   0.264  0.00  0.00    +0.075 C 
ATOM     21  C   LIG    1        8.799   1.178  -0.442  0.00  0.00    +0.013 C 
ATOM     22  C   LIG    1        7.530   1.104  -1.237  0.00  0.00    +0.013 C 
ENDBRANCH  15  20
ENDBRANCH   1   9
BRANCH   6  23
ATOM     23  C   LIG    1       -4.306  -1.794  -0.408  0.00  0.00    +0.093 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.597  -1.058  -0.743  0.00  0.00    +0.074 A 
ATOM     25  C   LIG    1       -6.082   0.038   0.136  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1       -7.263   0.677  -0.239  0.00  0.00    +0.050 A 
ATOM     27  C   LIG    1       -7.787   1.722   0.533  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1       -7.122   2.130   1.688  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -5.941   1.495   2.068  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -7.960   0.241  -1.460  0.00  0.00    +0.272 A 
ATOM     31  O   LIG    1       -9.002   0.773  -1.827  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1       -7.375  -0.788  -2.155  0.00  0.00    -0.242 N 
ATOM     33  H   LIG    1       -7.845  -1.104  -2.998  0.00  0.00    +0.192 HD
ATOM     34  C   LIG    1       -5.420   0.450   1.298  0.00  0.00    +0.010 A 
ATOM     35  N   LIG    1       -6.225  -1.430  -1.821  0.00  0.00    -0.175 NA
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 4