REMARK  Name = BDB012158
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.045  -0.077  -0.020  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -1.300   0.377  -0.891  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        0.074   0.172  -0.874  0.00  0.00    -0.301 N 
ATOM      4  C   LIG    1        0.997   0.713  -1.873  0.00  0.00    +0.108 C 
ATOM      5  C   LIG    1        2.429   0.776  -1.359  0.00  0.00    +0.032 C 
ATOM      6  C   LIG    1        2.935  -0.603  -0.907  0.00  0.00    +0.080 C 
ATOM      7  C   LIG    1        1.814  -1.490  -0.341  0.00  0.00    +0.032 C 
ATOM      8  C   LIG    1        0.646  -0.664   0.185  0.00  0.00    +0.108 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        4.035  -0.438   0.084  0.00  0.00    +0.221 A 
ATOM     10  O   LIG    1        5.304  -0.744  -0.326  0.00  0.00    -0.420 OA
ATOM     11  C   LIG    1        6.033  -0.478   0.807  0.00  0.00    +0.248 A 
ATOM     12  N   LIG    1        5.279  -0.051   1.801  0.00  0.00    -0.107 NA
ATOM     13  N   LIG    1        3.983  -0.025   1.332  0.00  0.00    -0.112 NA
BRANCH  11  14
ATOM     14  C   LIG    1        7.473  -0.696   0.749  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1        8.261  -0.431   1.883  0.00  0.00    +0.016 A 
ATOM     16  C   LIG    1        9.644  -0.630   1.856  0.00  0.00    +0.039 A 
ATOM     17  C   LIG    1       10.245  -1.095   0.694  0.00  0.00    +0.123 A 
ATOM     18  F   LIG    1       11.570  -1.287   0.666  0.00  0.00    -0.205 F 
ATOM     19  C   LIG    1        9.491  -1.365  -0.441  0.00  0.00    +0.039 A 
ATOM     20  C   LIG    1        8.107  -1.166  -0.414  0.00  0.00    +0.016 A 
ENDBRANCH  11  14
ENDBRANCH   6   9
BRANCH   2  21
ATOM     21  C   LIG    1       -1.858   1.210  -2.040  0.00  0.00    +0.096 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.389   1.214  -2.082  0.00  0.00    +0.017 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.019   2.017  -0.937  0.00  0.00    +0.075 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.114   1.235  -0.248  0.00  0.00    +0.110 A 
ATOM     25  N   LIG    1       -4.707   0.170   0.510  0.00  0.00    -0.310 N 
ATOM     26  H   LIG    1       -3.717  -0.075   0.557  0.00  0.00    +0.170 HD
ATOM     27  C   LIG    1       -5.574  -0.656   1.177  0.00  0.00    +0.259 A 
ATOM     28  O   LIG    1       -5.204  -1.628   1.825  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -6.999  -0.300   1.058  0.00  0.00    +0.065 A 
ATOM     30  C   LIG    1       -7.324   0.807   0.270  0.00  0.00    +0.078 A 
ATOM     31  C   LIG    1       -8.669   1.161   0.141  0.00  0.00    +0.028 A 
ATOM     32  C   LIG    1       -9.665   0.422   0.786  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1       -9.325  -0.682   1.569  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1       -7.987  -1.048   1.707  0.00  0.00    +0.015 A 
ATOM     35  N   LIG    1       -6.353   1.575  -0.396  0.00  0.00    -0.234 NA
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 6