REMARK  Name = BDB041946
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.095  -0.008   0.259  0.00  0.00    -0.281 N 
ATOM      2  C   LIG    1       -3.073   0.375  -1.073  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -4.004   0.482  -1.847  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.676   0.667  -1.408  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -1.131   1.025  -2.625  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1        0.245   1.246  -2.661  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1        1.024   1.111  -1.497  0.00  0.00    +0.165 A 
ATOM      8  C   LIG    1        0.455   0.759  -0.264  0.00  0.00    +0.161 A 
ATOM      9  F   LIG    1        2.343   1.325  -1.623  0.00  0.00    -0.202 F 
ATOM     10  C   LIG    1       -0.912   0.533  -0.248  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1       -1.795   0.164   0.896  0.00  0.00    +0.148 C 
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -8.301   0.251   2.043  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -7.135   0.123   1.681  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -6.282   1.197   1.652  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -6.682   2.088   1.909  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -4.929   1.198   1.395  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -4.271   2.226   1.541  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -4.310  -0.166   1.050  0.00  0.00    +0.163 C 
ATOM     19  C   LIG    1       -5.351  -1.079   0.403  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -6.543  -1.224   1.335  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   8  21
ATOM     21  O   LIG    1        1.081   0.592   0.937  0.00  0.00    -0.489 OA
BRANCH  21  22
ATOM     22  C   LIG    1        2.451   0.976   1.059  0.00  0.00    +0.229 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.369  -0.199   0.724  0.00  0.00    +0.041 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.840   0.206   0.798  0.00  0.00    +0.003 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.806  -0.958   0.557  0.00  0.00    +0.002 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.673  -1.664  -0.792  0.00  0.00    +0.028 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.855  -0.743  -1.991  0.00  0.00    +0.156 C 
BRANCH  27  28
ATOM     28  O   LIG    1        5.819  -1.526  -3.177  0.00  0.00    -0.395 OA
ATOM     29  H   LIG    1        5.929  -0.914  -3.925  0.00  0.00    +0.209 HD
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   8  21
TORSDOF 9