REMARK  Name = BDB054821
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.096   0.639   0.289  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.275   1.357   1.468  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.530   2.382   1.781  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.293   1.012   2.351  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.156  -0.042   2.039  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.019  -0.745   0.832  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -0.972  -0.403  -0.038  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        0.567   1.361  -1.793  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.949   1.006  -0.679  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1        2.289   0.881  -0.330  0.00  0.00    -0.294 N 
ATOM     11  C   LIG    1        3.292   1.491  -1.214  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1        4.604   0.692  -1.262  0.00  0.00    +0.125 C 
ATOM     13  N   LIG    1        5.110   0.454   0.110  0.00  0.00    -0.312 N 
ATOM     14  C   LIG    1        4.125  -0.272   0.940  0.00  0.00    +0.125 C 
ATOM     15  C   LIG    1        2.790   0.500   0.999  0.00  0.00    +0.127 C 
BRANCH  13  16
ATOM     16  C   LIG    1        6.370  -0.184   0.115  0.00  0.00    +0.121 A 
ATOM     17  N   LIG    1        6.862  -0.723  -1.021  0.00  0.00    -0.240 NA
ATOM     18  C   LIG    1        8.077  -1.315  -0.978  0.00  0.00    +0.113 A 
ATOM     19  C   LIG    1        8.855  -1.400   0.161  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        8.359  -0.837   1.325  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        7.108  -0.221   1.301  0.00  0.00    +0.043 A 
ENDBRANCH  13  16
ENDBRANCH   1   9
BRANCH   6  22
ATOM     22  C   LIG    1       -2.965  -1.870   0.475  0.00  0.00    +0.094 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.437  -1.502   0.603  0.00  0.00    +0.087 A 
ATOM     24  C   LIG    1       -5.045  -0.541  -0.384  0.00  0.00    +0.059 A 
ATOM     25  N   LIG    1       -4.308   0.025  -1.413  0.00  0.00    -0.342 N 
ATOM     26  H   LIG    1       -3.425  -0.416  -1.648  0.00  0.00    +0.146 HD
ATOM     27  C   LIG    1       -4.952   0.751  -2.497  0.00  0.00    +0.102 C 
ATOM     28  C   LIG    1       -6.102   1.581  -1.934  0.00  0.00    +0.023 C 
ATOM     29  C   LIG    1       -7.064   0.715  -1.109  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1       -6.343  -0.250  -0.207  0.00  0.00    +0.041 A 
ATOM     31  C   LIG    1       -7.109  -0.875   0.893  0.00  0.00    +0.270 A 
ATOM     32  O   LIG    1       -8.302  -0.644   1.063  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1       -6.409  -1.726   1.706  0.00  0.00    -0.243 N 
ATOM     34  H   LIG    1       -6.920  -2.165   2.465  0.00  0.00    +0.192 HD
ATOM     35  N   LIG    1       -5.094  -2.051   1.583  0.00  0.00    -0.174 NA
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 4