REMARK  Name = BDB042574
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.369   1.919   0.467  0.00  0.00    +0.216 C 
ATOM      2  N   LIG    1        1.612   1.290   0.521  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1        2.805   2.136   0.514  0.00  0.00    +0.113 C 
ATOM      4  C   LIG    1        3.946   1.491  -0.272  0.00  0.00    +0.054 C 
ATOM      5  C   LIG    1        4.137   0.045   0.111  0.00  0.00    -0.041 C 
ATOM      6  C   LIG    1        3.137  -0.636   0.701  0.00  0.00    -0.004 C 
ATOM      7  C   LIG    1        1.782  -0.073   1.018  0.00  0.00    +0.135 C 
ATOM      8  O   LIG    1        0.251   3.131   0.288  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        5.432  -0.595  -0.197  0.00  0.00    -0.021 A 
ATOM     10  C   LIG    1        6.046  -0.399  -1.444  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        7.280  -0.996  -1.737  0.00  0.00    +0.087 A 
ATOM     12  C   LIG    1        7.905  -1.784  -0.776  0.00  0.00    +0.141 A 
ATOM     13  F   LIG    1        9.086  -2.364  -1.031  0.00  0.00    -0.204 F 
ATOM     14  C   LIG    1        7.318  -1.986   0.469  0.00  0.00    +0.040 A 
ATOM     15  C   LIG    1        6.087  -1.391   0.757  0.00  0.00    +0.011 A 
BRANCH  11  16
ATOM     16  C   LIG    1        7.892  -0.795  -3.013  0.00  0.00    +0.102 C 
ATOM     17  N   LIG    1        8.361  -0.612  -4.059  0.00  0.00    -0.191 NA
ENDBRANCH  11  16
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1       -0.854   1.028   0.620  0.00  0.00    +0.102 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.154   1.833   0.546  0.00  0.00    +0.062 C 
BRANCH  19  27
ATOM     20  C   LIG    1       -5.979  -0.021  -2.665  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1       -6.201  -0.540  -1.269  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -5.342  -0.213  -0.195  0.00  0.00    -0.005 A 
ATOM     23  C   LIG    1       -5.612  -0.734   1.088  0.00  0.00    +0.082 A 
ATOM     24  C   LIG    1       -4.710  -0.385   2.214  0.00  0.00    +0.259 A 
ATOM     25  N   LIG    1       -3.647   0.439   1.914  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1       -3.064   0.678   2.707  0.00  0.00    +0.169 HD
ATOM     27  C   LIG    1       -3.367   0.944   0.669  0.00  0.00    +0.020 A 
ATOM     28  O   LIG    1       -4.871  -0.793   3.358  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -6.713  -1.562   1.294  0.00  0.00    +0.136 A 
ATOM     30  F   LIG    1       -6.995  -2.074   2.500  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1       -7.558  -1.886   0.239  0.00  0.00    +0.039 A 
ATOM     32  C   LIG    1       -4.167   0.656  -0.369  0.00  0.00    +0.030 A 
ATOM     33  C   LIG    1       -7.306  -1.378  -1.034  0.00  0.00    +0.007 A 
ENDBRANCH  19  27
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 5