REMARK  Name = BDB049064
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.651  -0.666   0.664  0.00  0.00    -0.296 NA
ATOM      2  C   LIG    1       -2.941  -0.969  -0.741  0.00  0.00    +0.104 C 
ATOM      3  C   LIG    1       -1.530  -1.025  -1.365  0.00  0.00    +0.079 C 
ATOM      4  C   LIG    1       -0.676  -1.685  -0.243  0.00  0.00    +0.051 C 
ATOM      5  C   LIG    1       -1.554  -1.572   1.025  0.00  0.00    +0.094 C 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        0.698  -1.064  -0.064  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        1.849  -1.829  -0.268  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        3.123  -1.265  -0.107  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1        3.306   0.075   0.265  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        2.138   0.825   0.472  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1        0.859   0.272   0.312  0.00  0.00    +0.006 A 
BRANCH   9  12
ATOM     12  N   LIG    1        4.572   0.626   0.425  0.00  0.00    -0.330 N 
ATOM     13  C   LIG    1        5.727   0.050  -0.265  0.00  0.00    +0.106 C 
ATOM     14  C   LIG    1        6.756   1.134  -0.565  0.00  0.00    +0.037 C 
ATOM     15  C   LIG    1        7.241   1.828   0.713  0.00  0.00    +0.094 C 
ATOM     16  C   LIG    1        6.179   1.839   1.820  0.00  0.00    +0.037 C 
ATOM     17  C   LIG    1        4.765   1.823   1.248  0.00  0.00    +0.106 C 
BRANCH  15  18
ATOM     18  C   LIG    1        7.680   3.201   0.402  0.00  0.00    +0.066 C 
ATOM     19  N   LIG    1        8.025   4.283   0.163  0.00  0.00    -0.196 NA
ENDBRANCH  15  18
ENDBRANCH   9  12
ENDBRANCH   4   6
BRANCH   3  20
ATOM     20  N   LIG    1       -1.498  -1.598  -2.731  0.00  0.00    -0.304 NA
ATOM     21  C   LIG    1       -1.794  -3.025  -2.817  0.00  0.00    +0.104 C 
ATOM     22  C   LIG    1       -0.232  -1.305  -3.404  0.00  0.00    +0.104 C 
ENDBRANCH   3  20
BRANCH   1  23
ATOM     23  C   LIG    1       -3.802  -0.795   1.560  0.00  0.00    +0.122 C 
BRANCH  23  26
ATOM     24  C   LIG    1       -6.510  -1.213   0.231  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1       -6.069   0.126   0.753  0.00  0.00    -0.043 A 
ATOM     26  C   LIG    1       -4.817   0.314   1.381  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -4.494   1.594   1.859  0.00  0.00    +0.128 A 
ATOM     28  F   LIG    1       -3.326   1.802   2.486  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1       -5.364   2.671   1.720  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1       -6.590   2.486   1.094  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1       -6.940   1.223   0.617  0.00  0.00    +0.004 A 
ENDBRANCH  23  26
ENDBRANCH   1  23
TORSDOF 6