REMARK  Name = BDB061166
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.072  -0.288   0.202  0.00  0.00    +0.100 A 
ATOM      2  C   LIG    1        1.419   0.945   0.413  0.00  0.00    +0.177 A 
ATOM      3  N   LIG    1        0.052   0.910   0.543  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.326   2.212   0.706  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.735   2.989   0.702  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.701  -0.273   0.488  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.082  -1.406   0.284  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.839   2.190   0.517  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.295  -1.387   0.146  0.00  0.00    +0.131 A 
ENDROOT
BRANCH   1  11
ATOM     10  O   LIG    1        4.048  -1.538  -0.144  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1        3.558  -0.426   0.036  0.00  0.00    +0.253 C 
ATOM     12  N   LIG    1        4.254   0.765   0.106  0.00  0.00    -0.281 N 
ATOM     13  H   LIG    1        3.708   1.611   0.260  0.00  0.00    +0.155 HD
BRANCH  12  14
ATOM     14  C   LIG    1        5.645   0.965  -0.011  0.00  0.00    +0.034 A 
ATOM     15  C   LIG    1        6.571  -0.058  -0.223  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        7.936   0.232  -0.326  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        8.386   1.546  -0.218  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        7.471   2.573  -0.006  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        6.108   2.284   0.097  0.00  0.00    +0.023 A 
ENDBRANCH  12  14
ENDBRANCH   1  11
BRANCH   6  20
ATOM     20  N   LIG    1       -2.070  -0.202   0.641  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -2.447   0.586   1.155  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.864  -1.409   0.811  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.319  -1.065   0.675  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -4.909  -0.800  -0.557  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -4.309  -0.750  -1.913  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -5.589  -0.707  -2.748  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -6.668  -0.200  -1.930  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -6.249  -0.448  -0.649  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -7.060  -0.338   0.463  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -6.493  -0.604   1.709  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -5.141  -0.960   1.805  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1       -4.625  -1.183   3.022  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 5