REMARK  Name = BDB061167
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.886  -0.549   0.003  0.00  0.00    +0.100 A 
ATOM      2  C   LIG    1        1.212  -1.375   0.961  0.00  0.00    +0.186 A 
ATOM      3  N   LIG    1       -0.159  -1.466   0.865  0.00  0.00    -0.252 N 
ATOM      4  C   LIG    1       -0.551  -2.279   1.889  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.498  -2.680   2.568  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.919  -0.798  -0.101  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.309  -0.018  -0.947  0.00  0.00    -0.222 NA
ATOM      8  N   LIG    1        1.604  -2.108   1.988  0.00  0.00    -0.128 NA
ATOM      9  C   LIG    1        1.068   0.088  -0.869  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        4.061  -1.125   1.058  0.00  0.00    +0.139 C 
ATOM     11  N   LIG    1        3.292  -0.388   0.043  0.00  0.00    -0.266 N 
ATOM     12  C   LIG    1        3.998   0.325  -0.951  0.00  0.00    +0.251 C 
ATOM     13  O   LIG    1        3.602   0.534  -2.095  0.00  0.00    -0.270 OA
BRANCH  12  14
ATOM     14  C   LIG    1        5.325   0.899  -0.606  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1        6.390   0.731  -1.497  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        7.636   1.284  -1.201  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        7.813   2.016  -0.025  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        6.744   2.207   0.852  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        5.495   1.656   0.561  0.00  0.00    +0.013 A 
ENDBRANCH  12  14
ENDBRANCH   1  11
BRANCH   6  20
ATOM     20  N   LIG    1       -2.288  -0.974  -0.121  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -2.649  -1.845   0.252  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.081  -0.482  -1.237  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.535  -0.543  -0.871  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -5.141   0.420  -0.070  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -4.587   1.670   0.503  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -5.719   2.022   1.470  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -6.935   1.375   1.030  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -6.490   0.339   0.252  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -7.293  -0.691  -0.194  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -6.703  -1.681  -0.980  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -5.342  -1.603  -1.306  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1       -4.806  -2.579  -2.052  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 5