REMARK  Name = BDB061164
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.194  -0.429   0.654  0.00  0.00    +0.203 A 
ATOM      2  N   LIG    1        0.248  -1.758   0.662  0.00  0.00    -0.252 N 
ATOM      3  C   LIG    1        1.568  -2.118   0.564  0.00  0.00    +0.186 A 
ATOM      4  N   LIG    1        1.670  -3.431   0.619  0.00  0.00    -0.128 NA
ATOM      5  N   LIG    1        0.397  -3.946   0.734  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        2.532  -1.078   0.427  0.00  0.00    +0.095 A 
ATOM      7  C   LIG    1        2.022   0.175   0.449  0.00  0.00    +0.141 A 
ATOM      8  C   LIG    1       -0.442  -2.934   0.746  0.00  0.00    +0.232 A 
ATOM      9  N   LIG    1        0.689   0.526   0.539  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.544  -0.170   0.761  0.00  0.00    -0.310 N 
ATOM     11  H   LIG    1       -2.120  -0.868   1.220  0.00  0.00    +0.149 HD
BRANCH  10  12
ATOM     12  C   LIG    1       -2.029   1.183   0.981  0.00  0.00    +0.143 C 
BRANCH  12  15
ATOM     13  F   LIG    1       -3.878   1.388   3.122  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -4.383   1.311   1.882  0.00  0.00    +0.129 A 
ATOM     15  C   LIG    1       -3.517   1.215   0.786  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -4.104   1.121  -0.472  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1       -3.481   0.935  -1.805  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1       -4.695   1.226  -2.688  0.00  0.00    +0.234 C 
ATOM     19  O   LIG    1       -5.900   1.000  -1.921  0.00  0.00    -0.491 OA
ATOM     20  C   LIG    1       -5.485   1.120  -0.621  0.00  0.00    +0.124 A 
ATOM     21  C   LIG    1       -6.341   1.207   0.458  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1       -5.777   1.308   1.729  0.00  0.00    +0.042 A 
ENDBRANCH  12  15
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   6  23
ATOM     23  N   LIG    1        3.875  -1.413   0.363  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1        4.031  -2.411   0.513  0.00  0.00    +0.152 HD
BRANCH  23  25
ATOM     25  C   LIG    1        4.911  -0.821  -0.387  0.00  0.00    +0.031 A 
ATOM     26  C   LIG    1        4.705   0.127  -1.395  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1        5.785   0.702  -2.075  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        7.090   0.342  -1.748  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        7.315  -0.593  -0.743  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        6.234  -1.166  -0.068  0.00  0.00    +0.023 A 
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 5