REMARK  Name = BDB003054
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.173   2.588   0.931  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -0.350   1.463   0.464  0.00  0.00    +0.217 C 
ATOM      3  N   LIG    1       -1.623   0.940   0.259  0.00  0.00    -0.298 N 
ATOM      4  C   LIG    1       -2.761   1.852   0.431  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1       -4.080   1.130   0.764  0.00  0.00    +0.124 C 
ATOM      6  N   LIG    1       -4.330   0.033  -0.204  0.00  0.00    -0.325 N 
ATOM      7  C   LIG    1       -3.215  -0.937  -0.232  0.00  0.00    +0.124 C 
ATOM      8  C   LIG    1       -1.896  -0.228  -0.593  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -5.639  -0.486  -0.125  0.00  0.00    +0.065 A 
ATOM     10  C   LIG    1       -5.971  -1.805   0.242  0.00  0.00    +0.144 A 
ATOM     11  F   LIG    1       -5.019  -2.687   0.588  0.00  0.00    -0.204 F 
ATOM     12  C   LIG    1       -7.293  -2.252   0.287  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1       -8.333  -1.391  -0.046  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1       -8.043  -0.085  -0.427  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -6.715   0.356  -0.468  0.00  0.00    +0.026 A 
ENDBRANCH   6   9
BRANCH   2  16
ATOM     16  C   LIG    1        0.822   0.570   0.107  0.00  0.00    +0.115 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.150   1.250   0.427  0.00  0.00    +0.125 C 
BRANCH  17  18
ATOM     18  N   LIG    1        3.279   0.398   0.091  0.00  0.00    -0.241 N 
ATOM     19  C   LIG    1        3.849   0.366  -1.153  0.00  0.00    +0.226 C 
ATOM     20  O   LIG    1        3.503   1.009  -2.133  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1        4.979  -0.625  -1.147  0.00  0.00    +0.095 C 
ATOM     22  C   LIG    1        4.959  -1.216   0.286  0.00  0.00    +0.095 C 
ATOM     23  C   LIG    1        6.371  -0.886   0.815  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1        7.192  -1.086  -0.469  0.00  0.00    +0.016 C 
ATOM     25  C   LIG    1        6.548   0.610   0.948  0.00  0.00    -0.027 C 
ATOM     26  C   LIG    1        6.565   1.122  -0.292  0.00  0.00    -0.027 C 
ATOM     27  C   LIG    1        6.398  -0.032  -1.257  0.00  0.00    +0.025 C 
ATOM     28  C   LIG    1        3.821  -0.507   0.964  0.00  0.00    +0.226 C 
ATOM     29  O   LIG    1        3.448  -0.739   2.104  0.00  0.00    -0.275 OA
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 4