REMARK  Name = BDB006719
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.671  -1.558  -0.260  0.00  0.00    -0.268 N 
ATOM      2  C   LIG    1       -3.225  -0.476   0.483  0.00  0.00    +0.042 A 
ATOM      3  C   LIG    1       -4.115   0.445   1.227  0.00  0.00    +0.065 C 
ATOM      4  C   LIG    1       -1.861  -0.505   0.334  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1       -0.609   0.181   0.719  0.00  0.00    +0.149 C 
ATOM      6  N   LIG    1        0.434  -0.694   0.088  0.00  0.00    -0.253 N 
ATOM      7  C   LIG    1       -0.157  -1.771  -0.648  0.00  0.00    +0.272 C 
ATOM      8  O   LIG    1        0.388  -2.651  -1.296  0.00  0.00    -0.268 OA
ATOM      9  C   LIG    1       -1.581  -1.613  -0.454  0.00  0.00    +0.153 A 
ATOM     10  N   LIG    1       -2.669  -2.272  -0.839  0.00  0.00    -0.166 NA
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        1.806  -0.486   0.246  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        2.745  -1.210  -0.397  0.00  0.00    +0.118 A 
ATOM     13  N   LIG    1        4.096  -0.938  -0.204  0.00  0.00    -0.285 N 
ATOM     14  C   LIG    1        4.566   0.059   0.628  0.00  0.00    +0.164 A 
ATOM     15  N   LIG    1        5.880   0.078   0.594  0.00  0.00    -0.129 NA
ATOM     16  N   LIG    1        6.294  -0.913  -0.265  0.00  0.00    -0.134 NA
ATOM     17  C   LIG    1        3.612   0.847   1.344  0.00  0.00    -0.004 A 
ATOM     18  C   LIG    1        4.029   1.943   2.291  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1        5.225  -1.521  -0.740  0.00  0.00    +0.135 A 
ATOM     20  C   LIG    1        5.205  -2.650  -1.696  0.00  0.00    +0.088 C 
ATOM     21  C   LIG    1        2.299   0.568   1.151  0.00  0.00    +0.032 A 
ENDBRANCH   6  11
BRANCH   5  22
ATOM     22  C   LIG    1       -0.707   1.570   0.126  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1       -0.987   2.649   0.976  0.00  0.00    +0.131 A 
ATOM     24  F   LIG    1       -1.145   2.431   2.290  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1       -1.097   3.950   0.500  0.00  0.00    +0.077 A 
ATOM     26  C   LIG    1       -0.927   4.183  -0.856  0.00  0.00    +0.126 A 
ATOM     27  F   LIG    1       -1.033   5.432  -1.328  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1       -0.650   3.141  -1.733  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1       -0.540   1.836  -1.246  0.00  0.00    +0.011 A 
ENDBRANCH   5  22
BRANCH   1  31
ATOM     30  C   LIG    1       -5.476  -3.037   0.533  0.00  0.00    +0.029 C 
ATOM     31  C   LIG    1       -5.044  -1.985  -0.472  0.00  0.00    +0.140 C 
ENDBRANCH   1  31
TORSDOF 3