REMARK  Name = BDB001081
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.099  -0.251   0.553  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1        0.189   0.197   0.216  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        1.149  -0.706  -0.257  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        0.816  -2.047  -0.427  0.00  0.00    +0.135 A 
ATOM      5  F   LIG    1        1.702  -2.922  -0.922  0.00  0.00    -0.205 F 
ATOM      6  C   LIG    1       -0.455  -2.504  -0.092  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1       -1.409  -1.611   0.401  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        2.476  -0.193  -0.640  0.00  0.00    +0.249 C 
ATOM      9  N   LIG    1        3.613  -0.727  -0.049  0.00  0.00    -0.295 N 
ATOM     10  C   LIG    1        4.919  -0.261  -0.515  0.00  0.00    +0.123 C 
ATOM     11  C   LIG    1        6.049  -1.242  -0.158  0.00  0.00    +0.100 C 
ATOM     12  N   LIG    1        6.156  -1.576   1.273  0.00  0.00    -0.313 NA
ATOM     13  H   LIG    1        6.845  -0.969   1.717  0.00  0.00    +0.122 HD
ATOM     14  C   LIG    1        4.873  -1.430   1.980  0.00  0.00    +0.100 C 
ATOM     15  C   LIG    1        3.627  -1.642   1.100  0.00  0.00    +0.123 C 
ATOM     16  O   LIG    1        2.510   0.725  -1.458  0.00  0.00    -0.270 OA
ENDBRANCH   3   8
BRANCH   1  17
ATOM     17  C   LIG    1       -2.137   0.723   1.062  0.00  0.00    +0.264 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -2.334   1.799   0.128  0.00  0.00    -0.487 OA
BRANCH  18  20
ATOM     19  C   LIG    1       -4.720   1.877  -0.348  0.00  0.00    +0.078 A 
ATOM     20  C   LIG    1       -3.402   1.544  -0.696  0.00  0.00    +0.133 A 
ATOM     21  C   LIG    1       -3.124   0.965  -1.938  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -4.162   0.663  -2.818  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -5.479   0.948  -2.464  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -5.757   1.554  -1.237  0.00  0.00    +0.017 A 
BRANCH  19  28
ATOM     25  N   LIG    1       -4.136   3.286   1.562  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1       -3.234   3.459   1.133  0.00  0.00    +0.145 HD
ATOM     27  H   LIG    1       -4.422   3.854   2.347  0.00  0.00    +0.145 HD
ATOM     28  C   LIG    1       -5.099   2.562   0.919  0.00  0.00    +0.245 C 
ATOM     29  O   LIG    1       -6.240   2.511   1.361  0.00  0.00    -0.270 OA
ENDBRANCH  19  28
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 5