REMARK  Name = BDB061171
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.485   0.420   0.572  0.00  0.00    +0.100 A 
ATOM      2  C   LIG    1        1.097   1.792   0.546  0.00  0.00    +0.187 A 
ATOM      3  N   LIG    1       -0.181   2.094   0.960  0.00  0.00    -0.252 N 
ATOM      4  C   LIG    1       -0.288   3.451   0.858  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.833   3.955   0.396  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.106   1.133   1.389  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.738  -0.118   1.422  0.00  0.00    -0.222 NA
ATOM      8  N   LIG    1        1.706   2.912   0.200  0.00  0.00    -0.128 NA
ATOM      9  C   LIG    1        0.542  -0.441   1.013  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  12
ATOM     10  O   LIG    1        2.754  -2.319   0.405  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1        3.275  -1.257   0.117  0.00  0.00    +0.252 C 
ATOM     12  N   LIG    1        2.762   0.047   0.162  0.00  0.00    -0.259 N 
ATOM     13  C   LIG    1        3.766   1.012  -0.295  0.00  0.00    +0.150 C 
ATOM     14  C   LIG    1        4.950   0.165  -0.617  0.00  0.00    -0.018 A 
ATOM     15  C   LIG    1        6.197   0.531  -1.091  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1        7.141  -0.478  -1.314  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        6.830  -1.827  -1.063  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        5.569  -2.186  -0.585  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1        4.655  -1.170  -0.373  0.00  0.00    +0.042 A 
ENDBRANCH   1  12
BRANCH   6  20
ATOM     20  N   LIG    1       -2.370   1.537   1.768  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -2.695   2.448   1.463  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.467   0.595   1.919  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.119   0.329   0.593  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -4.068  -0.907  -0.043  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -3.475  -2.194   0.395  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -3.532  -2.956  -0.928  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -4.573  -2.382  -1.753  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -4.701  -1.107  -1.266  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -5.407  -0.108  -1.906  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -5.460   1.143  -1.295  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -4.821   1.349  -0.066  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1       -4.881   2.569   0.492  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 4