REMARK  Name = BDB035359
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.670  -0.862  -0.660  0.00  0.00    +0.241 C 
ATOM      2  N   LIG    1       -0.034  -1.502   0.393  0.00  0.00    -0.268 N 
ATOM      3  C   LIG    1        1.292  -1.378   0.744  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1        1.562  -2.026   1.881  0.00  0.00    +0.042 A 
ATOM      5  N   LIG    1        2.811  -2.048   2.424  0.00  0.00    -0.324 N 
ATOM      6  H   LIG    1        3.003  -2.544   3.285  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1        3.884  -1.404   1.844  0.00  0.00    +0.253 A 
ATOM      8  C   LIG    1        3.595  -0.656   0.568  0.00  0.00    +0.023 A 
ATOM      9  O   LIG    1        5.003  -1.452   2.340  0.00  0.00    -0.268 OA
ATOM     10  C   LIG    1        0.369  -2.694   2.459  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1        2.345  -0.682   0.058  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1       -0.712  -2.301   1.441  0.00  0.00    +0.120 C 
ATOM     13  O   LIG    1       -0.128  -0.007  -1.371  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1       -2.147  -1.251  -0.951  0.00  0.00    +0.165 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -3.409   0.653  -0.020  0.00  0.00    +0.230 C 
ATOM     16  N   LIG    1       -2.853   0.025  -1.118  0.00  0.00    -0.302 N 
ATOM     17  H   LIG    1       -2.463   0.627  -1.833  0.00  0.00    +0.150 HD
ATOM     18  O   LIG    1       -3.543   0.077   1.061  0.00  0.00    -0.274 OA
BRANCH  15  19
ATOM     19  C   LIG    1       -3.944   2.090  -0.271  0.00  0.00    +0.137 C 
ATOM     20  C   LIG    1       -2.879   3.004  -0.870  0.00  0.00    +0.034 C 
BRANCH  19  22
ATOM     21  C   LIG    1       -5.564   3.494   0.882  0.00  0.00    +0.101 C 
ATOM     22  N   LIG    1       -4.381   2.659   1.024  0.00  0.00    -0.309 NA
ATOM     23  H   LIG    1       -4.594   1.877   1.653  0.00  0.00    +0.122 HD
ENDBRANCH  19  22
ENDBRANCH  15  19
ENDBRANCH  14  16
BRANCH  14  24
ATOM     24  C   LIG    1       -2.305  -2.179  -2.199  0.00  0.00    -0.011 C 
ATOM     25  C   LIG    1       -1.560  -3.509  -1.976  0.00  0.00    +0.013 C 
ATOM     26  C   LIG    1       -1.778  -1.542  -3.500  0.00  0.00    +0.013 C 
ATOM     27  C   LIG    1       -3.802  -2.506  -2.397  0.00  0.00    +0.013 C 
ENDBRANCH  14  24
ENDBRANCH   1  14
BRANCH   8  28
ATOM     28  C   LIG    1        4.747   0.050  -0.092  0.00  0.00    +0.078 C 
BRANCH  28  29
ATOM     29  C   LIG    1        5.168   1.326   0.602  0.00  0.00    -0.008 A 
ATOM     30  C   LIG    1        6.502   1.514   0.986  0.00  0.00    +0.130 A 
ATOM     31  F   LIG    1        7.414   0.565   0.731  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1        6.920   2.680   1.618  0.00  0.00    +0.077 A 
ATOM     33  C   LIG    1        5.992   3.680   1.862  0.00  0.00    +0.126 A 
ATOM     34  F   LIG    1        6.382   4.809   2.468  0.00  0.00    -0.205 F 
ATOM     35  C   LIG    1        4.662   3.534   1.481  0.00  0.00    +0.039 A 
ATOM     36  C   LIG    1        4.249   2.360   0.847  0.00  0.00    +0.009 A 
ENDBRANCH  28  29
ENDBRANCH   8  28
TORSDOF 7