REMARK  Name = BDB042677
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.091  -0.167   0.702  0.00  0.00    +0.073 C 
ATOM      2  C   LIG    1       -1.772   0.221   1.381  0.00  0.00    +0.037 C 
ATOM      3  C   LIG    1       -0.666  -0.769   1.019  0.00  0.00    +0.086 C 
ATOM      4  N   LIG    1       -0.465  -0.937  -0.427  0.00  0.00    -0.302 NA
ATOM      5  C   LIG    1       -1.729  -1.304  -1.084  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1       -2.878  -0.334  -0.805  0.00  0.00    +0.037 C 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -4.081   0.880   0.977  0.00  0.00    -0.341 N 
ATOM      8  H   LIG    1       -3.768   1.806   0.697  0.00  0.00    +0.146 HD
BRANCH   7  12
ATOM      9  C   LIG    1       -8.257   0.463   0.507  0.00  0.00    +0.052 A 
ATOM     10  C   LIG    1       -7.454  -0.676   0.546  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -6.064  -0.557   0.688  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -5.446   0.696   0.767  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -6.276   1.828   0.765  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -7.665   1.720   0.624  0.00  0.00    +0.020 A 
BRANCH   9  16
ATOM     15  N   LIG    1      -10.828   0.246   0.245  0.00  0.00    -0.191 NA
ATOM     16  C   LIG    1       -9.678   0.343   0.364  0.00  0.00    +0.099 C 
ENDBRANCH   9  16
ENDBRANCH   7  12
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  C   LIG    1        0.181   0.210  -1.084  0.00  0.00    +0.085 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.640   0.446  -0.660  0.00  0.00    +0.021 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.531  -0.784  -0.888  0.00  0.00    +0.054 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.007  -0.621  -0.583  0.00  0.00    +0.020 A 
ATOM     21  N   LIG    1        4.779  -1.735  -0.842  0.00  0.00    -0.326 N 
ATOM     22  H   LIG    1        4.341  -2.575  -1.203  0.00  0.00    +0.169 HD
ATOM     23  C   LIG    1        6.138  -1.830  -0.646  0.00  0.00    +0.257 A 
ATOM     24  O   LIG    1        6.760  -2.855  -0.898  0.00  0.00    -0.267 OA
ATOM     25  C   LIG    1        6.810  -0.622  -0.113  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1        6.035   0.517   0.154  0.00  0.00    -0.011 A 
ATOM     27  C   LIG    1        6.658   1.664   0.658  0.00  0.00    +0.011 A 
ATOM     28  C   LIG    1        8.036   1.665   0.890  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1        8.785   0.523   0.617  0.00  0.00    +0.124 A 
ATOM     30  F   LIG    1       10.105   0.535   0.843  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        8.188  -0.626   0.117  0.00  0.00    +0.052 A 
ATOM     32  C   LIG    1        4.590   0.489  -0.098  0.00  0.00    +0.030 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 7