REMARK  Name = BDB042558
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.943  -1.157  -0.000  0.00  0.00    +0.102 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.269  -1.804   0.648  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        1.502  -1.202   0.415  0.00  0.00    -0.298 N 
ATOM      4  C   LIG    1        2.698  -1.918   0.877  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1        3.902  -0.994   1.131  0.00  0.00    +0.124 C 
ATOM      6  N   LIG    1        4.143  -0.114  -0.042  0.00  0.00    -0.327 N 
ATOM      7  C   LIG    1        2.950   0.680  -0.396  0.00  0.00    +0.124 C 
ATOM      8  C   LIG    1        1.746  -0.241  -0.671  0.00  0.00    +0.126 C 
ATOM      9  O   LIG    1        0.153  -2.802   1.360  0.00  0.00    -0.276 OA
BRANCH   6  10
ATOM     10  C   LIG    1        5.383   0.541  -0.001  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        5.524   1.936   0.052  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        6.788   2.543   0.081  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        7.944   1.763   0.047  0.00  0.00    +0.052 A 
ATOM     14  C   LIG    1        7.830   0.375  -0.018  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        6.564  -0.221  -0.044  0.00  0.00    +0.024 A 
BRANCH  13  16
ATOM     16  C   LIG    1        9.236   2.383   0.075  0.00  0.00    +0.099 C 
ATOM     17  N   LIG    1       10.281   2.887   0.100  0.00  0.00    -0.191 NA
ENDBRANCH  13  16
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -2.238  -1.884   0.368  0.00  0.00    +0.062 C 
BRANCH  18  26
ATOM     19  C   LIG    1       -6.330   1.060   2.089  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1       -6.446   0.864   0.600  0.00  0.00    -0.042 A 
ATOM     21  C   LIG    1       -5.499   0.119  -0.140  0.00  0.00    -0.005 A 
ATOM     22  C   LIG    1       -5.670  -0.028  -1.532  0.00  0.00    +0.082 A 
ATOM     23  C   LIG    1       -4.677  -0.814  -2.305  0.00  0.00    +0.259 A 
ATOM     24  N   LIG    1       -3.632  -1.353  -1.586  0.00  0.00    -0.326 N 
ATOM     25  H   LIG    1       -2.984  -1.904  -2.138  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1       -3.447  -1.212  -0.234  0.00  0.00    +0.020 A 
ATOM     27  O   LIG    1       -4.751  -0.990  -3.514  0.00  0.00    -0.267 OA
ATOM     28  C   LIG    1       -6.761   0.558  -2.171  0.00  0.00    +0.136 A 
ATOM     29  F   LIG    1       -6.951   0.440  -3.493  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -7.692   1.292  -1.446  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1       -4.331  -0.514   0.496  0.00  0.00    +0.030 A 
ATOM     32  C   LIG    1       -7.537   1.444  -0.070  0.00  0.00    +0.007 A 
ENDBRANCH  18  26
ENDBRANCH   1  18
TORSDOF 5