REMARK  Name = BDB058013
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.608   0.438   1.020  0.00  0.00    +0.079 A 
ATOM      2  C   LIG    1       -2.888  -0.039  -0.061  0.00  0.00    +0.152 A 
ATOM      3  O   LIG    1       -1.517  -0.109  -0.178  0.00  0.00    -0.451 OA
ATOM      4  C   LIG    1       -1.259  -0.657  -1.428  0.00  0.00    +0.176 C 
ATOM      5  C   LIG    1       -2.525  -0.946  -2.147  0.00  0.00    +0.231 C 
ATOM      6  O   LIG    1       -2.687  -1.416  -3.251  0.00  0.00    -0.283 OA
ATOM      7  C   LIG    1       -0.048  -0.887  -1.953  0.00  0.00    +0.058 C 
ATOM      8  C   LIG    1       -3.544  -0.522  -1.195  0.00  0.00    +0.068 A 
ATOM      9  C   LIG    1       -4.920  -0.557  -1.314  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -5.661  -0.082  -0.233  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -5.013   0.408   0.920  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        1.223  -0.600  -1.280  0.00  0.00    -0.019 A 
ATOM     13  C   LIG    1        1.463  -0.970   0.046  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        2.694  -0.693   0.647  0.00  0.00    +0.135 A 
ATOM     15  F   LIG    1        2.849  -1.070   1.925  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1        3.721  -0.056  -0.055  0.00  0.00    +0.058 A 
ATOM     17  C   LIG    1        3.482   0.293  -1.394  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        2.249   0.020  -2.001  0.00  0.00    +0.009 A 
BRANCH  16  19
ATOM     19  C   LIG    1        5.009   0.244   0.553  0.00  0.00    +0.207 A 
ATOM     20  N   LIG    1        5.341   0.033   1.838  0.00  0.00    -0.133 NA
ATOM     21  N   LIG    1        6.603   0.481   1.841  0.00  0.00    -0.176 N 
ATOM     22  H   LIG    1        7.180   0.467   2.678  0.00  0.00    +0.214 HD
ATOM     23  N   LIG    1        7.062   0.952   0.678  0.00  0.00    -0.049 NA
ATOM     24  N   LIG    1        6.047   0.807  -0.161  0.00  0.00    -0.108 NA
ENDBRANCH  16  19
ENDBRANCH   7  12
BRANCH   1  28
ATOM     25  N   LIG    1       -1.637   1.046   2.341  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1       -1.015   0.786   1.587  0.00  0.00    +0.145 HD
ATOM     27  H   LIG    1       -1.233   1.420   3.190  0.00  0.00    +0.145 HD
ATOM     28  C   LIG    1       -2.997   0.969   2.267  0.00  0.00    +0.245 C 
ATOM     29  O   LIG    1       -3.692   1.334   3.208  0.00  0.00    -0.270 OA
ENDBRANCH   1  28
TORSDOF 3