REMARK  Name = BDB008887
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.992   2.102   0.212  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1       -0.158   1.302   0.110  0.00  0.00    +0.011 A 
ATOM      3  C   LIG    1       -1.112   1.263   1.141  0.00  0.00    +0.002 A 
ATOM      4  C   LIG    1       -0.900   2.052   2.272  0.00  0.00    +0.128 A 
ATOM      5  F   LIG    1       -1.788   2.041   3.276  0.00  0.00    -0.205 F 
ATOM      6  C   LIG    1        0.222   2.867   2.384  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1        1.163   2.898   1.355  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1        2.005   2.158  -0.911  0.00  0.00    +0.092 C 
BRANCH   8  17
ATOM      9  O   LIG    1        3.483  -2.777  -2.878  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1        3.196  -1.684  -2.401  0.00  0.00    +0.268 A 
ATOM     11  C   LIG    1        3.870  -1.158  -1.187  0.00  0.00    +0.023 A 
ATOM     12  C   LIG    1        4.955  -2.017  -0.599  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1        5.830  -1.265   0.406  0.00  0.00    +0.005 C 
ATOM     14  C   LIG    1        4.979  -0.418   1.342  0.00  0.00    +0.005 C 
ATOM     15  C   LIG    1        4.140   0.600   0.563  0.00  0.00    +0.037 C 
ATOM     16  C   LIG    1        3.510   0.034  -0.678  0.00  0.00    -0.016 A 
ATOM     17  C   LIG    1        2.445   0.786  -1.414  0.00  0.00    +0.069 A 
ATOM     18  N   LIG    1        1.857   0.343  -2.486  0.00  0.00    -0.175 NA
ATOM     19  N   LIG    1        2.238  -0.876  -2.950  0.00  0.00    -0.243 N 
ATOM     20  H   LIG    1        1.766  -1.215  -3.782  0.00  0.00    +0.192 HD
ENDBRANCH   8  17
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  C   LIG    1       -2.333   0.385   1.025  0.00  0.00    +0.119 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -3.190   0.834  -0.072  0.00  0.00    -0.309 NA
ATOM     23  H   LIG    1       -3.483   1.793   0.121  0.00  0.00    +0.123 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -4.374   0.006  -0.339  0.00  0.00    +0.058 C 
ATOM     25  C   LIG    1       -5.434   0.078   0.769  0.00  0.00    +0.047 C 
ATOM     26  C   LIG    1       -6.458  -1.028   0.558  0.00  0.00    +0.161 C 
ATOM     27  O   LIG    1       -5.892  -2.338   0.630  0.00  0.00    -0.380 OA
ATOM     28  C   LIG    1       -4.495  -2.421   0.344  0.00  0.00    +0.161 C 
ATOM     29  C   LIG    1       -4.059  -1.446  -0.738  0.00  0.00    +0.047 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 5