REMARK  Name = BDB060799
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.221   0.806   0.199  0.00  0.00    +0.058 C 
ATOM      2  C   LIG    1       -0.128   0.190  -0.263  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1       -0.948   1.408  -0.757  0.00  0.00    +0.134 C 
ATOM      4  C   LIG    1       -2.361   1.597  -0.269  0.00  0.00    +0.003 A 
ATOM      5  C   LIG    1       -3.249   1.497  -1.342  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -4.615   1.609  -1.192  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1       -5.103   1.843   0.095  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -4.223   1.970   1.184  0.00  0.00    +0.000 A 
ATOM      9  N   LIG    1       -2.556   1.299  -2.525  0.00  0.00    -0.283 N 
ATOM     10  H   LIG    1       -2.969   1.214  -3.442  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1       -2.841   1.854   1.006  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1       -1.187   1.255  -2.307  0.00  0.00    +0.243 C 
ATOM     13  O   LIG    1       -0.329   1.150  -3.171  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -0.120   2.609  -0.500  0.00  0.00    -0.288 NA
ATOM     15  H   LIG    1       -0.287   3.324  -1.211  0.00  0.00    +0.124 HD
ATOM     16  C   LIG    1        1.296   2.147  -0.551  0.00  0.00    +0.168 C 
ENDROOT
BRANCH   1  21
ATOM     17  C   LIG    1        5.688  -2.875  -0.580  0.00  0.00    +0.044 C 
ATOM     18  C   LIG    1        4.558  -1.907  -0.390  0.00  0.00    -0.050 A 
ATOM     19  C   LIG    1        4.124  -1.567   0.895  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1        3.053  -0.688   1.072  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        2.389  -0.134  -0.031  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1        2.814  -0.495  -1.318  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        3.885  -1.375  -1.494  0.00  0.00    +0.003 A 
ENDBRANCH   1  21
BRANCH   2  24
ATOM     24  C   LIG    1       -0.792  -0.658   0.783  0.00  0.00    +0.174 A 
ATOM     25  C   LIG    1       -1.665  -1.729   0.765  0.00  0.00    +0.191 A 
ATOM     26  C   LIG    1       -1.891  -2.036   2.130  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1       -2.743  -3.088   2.735  0.00  0.00    +0.071 C 
ATOM     28  N   LIG    1       -1.207  -1.202   2.923  0.00  0.00    -0.081 NA
ATOM     29  O   LIG    1       -0.530  -0.346   2.084  0.00  0.00    -0.357 OA
BRANCH  25  30
ATOM     30  N   LIG    1       -2.221  -2.362  -0.387  0.00  0.00    +0.062 N 
ATOM     31  O   LIG    1       -2.900  -3.379  -0.200  0.00  0.00    -0.126 OA
ATOM     32  O   LIG    1       -1.991  -1.845  -1.486  0.00  0.00    -0.126 OA
ENDBRANCH  25  30
ENDBRANCH   2  24
BRANCH  16  33
ATOM     33  C   LIG    1        2.338   3.106   0.062  0.00  0.00    +0.405 C 
ATOM     34  F   LIG    1        2.300   4.306  -0.569  0.00  0.00    -0.169 F 
ATOM     35  F   LIG    1        2.113   3.329   1.375  0.00  0.00    -0.169 F 
ATOM     36  F   LIG    1        3.595   2.631  -0.067  0.00  0.00    -0.169 F 
ENDBRANCH  16  33
TORSDOF 4