REMARK  Name = BDB052909
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.077  -1.675   2.271  0.00  0.00    +0.062 C 
ATOM      2  C   LIG    1       -0.871  -0.670   1.671  0.00  0.00    +0.034 C 
ATOM      3  C   LIG    1       -0.426   0.230   0.525  0.00  0.00    +0.150 C 
ATOM      4  C   LIG    1       -1.596   0.316  -0.464  0.00  0.00    +0.174 C 
ATOM      5  N   LIG    1       -2.772   0.702   0.309  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -2.927   0.300   1.621  0.00  0.00    +0.232 A 
ATOM      7  N   LIG    1       -4.001   0.861   2.132  0.00  0.00    -0.211 NA
ATOM      8  C   LIG    1       -4.542   1.635   1.133  0.00  0.00    +0.091 A 
ATOM      9  C   LIG    1       -5.689   2.442   1.154  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -6.031   3.156  -0.001  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -5.247   3.070  -1.153  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -4.098   2.269  -1.194  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -3.779   1.563  -0.029  0.00  0.00    +0.071 A 
ATOM     14  N   LIG    1       -2.052  -0.559   2.207  0.00  0.00    -0.221 NA
ENDROOT
BRANCH   4  15
ATOM     15  C   LIG    1       -1.913  -0.929  -1.236  0.00  0.00    +0.129 A 
ATOM     16  O   LIG    1       -1.643  -2.130  -0.645  0.00  0.00    -0.466 OA
ATOM     17  C   LIG    1       -2.012  -3.100  -1.518  0.00  0.00    +0.195 A 
ATOM     18  C   LIG    1       -2.514  -2.544  -2.670  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1       -2.449  -1.141  -2.492  0.00  0.00    +0.047 A 
ENDBRANCH   4  15
BRANCH   3  20
ATOM     20  C   LIG    1        0.897  -0.067  -0.152  0.00  0.00    +0.228 C 
ATOM     21  N   LIG    1        1.988   0.159   0.678  0.00  0.00    -0.285 N 
ATOM     22  H   LIG    1        1.807   0.559   1.592  0.00  0.00    +0.155 HD
ATOM     23  O   LIG    1        0.964  -0.396  -1.330  0.00  0.00    -0.275 OA
BRANCH  21  24
ATOM     24  C   LIG    1        3.352  -0.052   0.378  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1        4.284   0.316   1.357  0.00  0.00    +0.024 A 
ATOM     26  C   LIG    1        5.655   0.136   1.144  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1        6.123  -0.414  -0.057  0.00  0.00    +0.055 A 
ATOM     28  C   LIG    1        5.187  -0.794  -1.028  0.00  0.00    +0.014 A 
ATOM     29  C   LIG    1        3.815  -0.613  -0.812  0.00  0.00    +0.024 A 
BRANCH  27  30
ATOM     30  C   LIG    1        7.600  -0.631  -0.281  0.00  0.00    +0.417 C 
ATOM     31  F   LIG    1        8.020  -1.841   0.179  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        8.375   0.297   0.347  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        7.956  -0.584  -1.595  0.00  0.00    -0.166 F 
ENDBRANCH  27  30
ENDBRANCH  21  24
ENDBRANCH   3  20
TORSDOF 4