REMARK  Name = BDB064240
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.084   0.354  -2.477  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.107  -0.929  -3.011  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        1.004  -1.493  -3.507  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.284  -1.670  -3.002  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.450  -1.125  -2.454  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -2.450   0.173  -1.921  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1       -1.257   0.914  -1.953  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        1.749   1.282  -3.562  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        1.167   1.135  -2.491  0.00  0.00    +0.250 C 
ATOM     10  N   LIG    1        1.603   1.723  -1.303  0.00  0.00    -0.287 N 
ATOM     11  C   LIG    1        1.321   1.178   0.022  0.00  0.00    +0.204 C 
ATOM     12  C   LIG    1        2.529   0.527   0.735  0.00  0.00    +0.237 C 
ATOM     13  O   LIG    1        2.291  -0.209   1.697  0.00  0.00    -0.274 OA
ATOM     14  N   LIG    1        3.819   0.896   0.299  0.00  0.00    -0.269 N 
ATOM     15  C   LIG    1        3.992   1.582  -0.997  0.00  0.00    +0.132 C 
ATOM     16  C   LIG    1        2.826   2.500  -1.342  0.00  0.00    +0.128 C 
BRANCH  14  17
ATOM     17  C   LIG    1        5.008   0.429   0.970  0.00  0.00    +0.036 A 
ATOM     18  C   LIG    1        6.225   0.286   0.280  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1        7.387  -0.148   0.929  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        7.360  -0.442   2.287  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        6.171  -0.301   2.993  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        5.010   0.131   2.341  0.00  0.00    +0.023 A 
ENDBRANCH  14  17
ENDBRANCH   1   9
BRANCH   6  23
ATOM     23  C   LIG    1       -3.688   0.767  -1.277  0.00  0.00    +0.162 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -3.888   0.291   0.091  0.00  0.00    -0.289 N 
ATOM     25  C   LIG    1       -4.792  -0.773   0.399  0.00  0.00    +0.059 A 
ATOM     26  C   LIG    1       -4.912  -1.212   1.724  0.00  0.00    +0.063 A 
ATOM     27  C   LIG    1       -5.781  -2.254   2.081  0.00  0.00    +0.015 A 
ATOM     28  C   LIG    1       -6.554  -2.875   1.106  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -6.457  -2.452  -0.215  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -4.111  -0.563   2.772  0.00  0.00    +0.262 A 
ATOM     31  O   LIG    1       -4.181  -0.901   3.947  0.00  0.00    -0.267 OA
ATOM     32  N   LIG    1       -3.289   0.446   2.357  0.00  0.00    -0.274 N 
ATOM     33  H   LIG    1       -2.731   0.894   3.067  0.00  0.00    +0.173 HD
ATOM     34  C   LIG    1       -5.587  -1.411  -0.566  0.00  0.00    +0.027 A 
ATOM     35  C   LIG    1       -3.133   0.908   1.083  0.00  0.00    +0.330 A 
ATOM     36  O   LIG    1       -2.345   1.831   0.875  0.00  0.00    -0.246 OA
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 4