REMARK  Name = BDB004608
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.114   0.867  -1.347  0.00  0.00    +0.138 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.201   0.257  -1.776  0.00  0.00    -0.029 A 
ATOM      3  C   LIG    1       -1.394   0.565  -1.099  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1       -2.616  -0.004  -1.487  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1       -2.633  -0.899  -2.557  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1       -1.452  -1.218  -3.234  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -0.244  -0.645  -2.846  0.00  0.00    +0.005 A 
BRANCH   4   8
ATOM      8  N   LIG    1       -3.761   0.364  -0.748  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1       -3.601   1.031  -0.005  0.00  0.00    +0.155 HD
ATOM     10  C   LIG    1       -5.070  -0.013  -0.990  0.00  0.00    +0.248 C 
ATOM     11  O   LIG    1       -5.484  -0.685  -1.927  0.00  0.00    -0.270 OA
BRANCH  10  12
ATOM     12  C   LIG    1       -6.067   0.499  -0.008  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1       -5.762   0.628   1.352  0.00  0.00    +0.054 A 
ATOM     14  C   LIG    1       -6.736   1.104   2.226  0.00  0.00    +0.159 A 
ATOM     15  F   LIG    1       -6.437   1.230   3.527  0.00  0.00    -0.202 F 
ATOM     16  C   LIG    1       -8.004   1.441   1.765  0.00  0.00    +0.158 A 
ATOM     17  F   LIG    1       -8.931   1.899   2.616  0.00  0.00    -0.202 F 
ATOM     18  C   LIG    1       -8.322   1.300   0.419  0.00  0.00    +0.042 A 
ATOM     19  C   LIG    1       -7.354   0.823  -0.469  0.00  0.00    +0.016 A 
ENDBRANCH  10  12
ENDBRANCH   4   8
ENDBRANCH   1   2
BRANCH   1  20
ATOM     20  N   LIG    1        1.933  -0.171  -0.733  0.00  0.00    -0.324 N 
ATOM     21  H   LIG    1        1.420  -0.658  -0.004  0.00  0.00    +0.148 HD
BRANCH  20  25
ATOM     22  C   LIG    1        6.127  -1.087   1.516  0.00  0.00    +0.063 A 
ATOM     23  C   LIG    1        5.256  -0.171   0.888  0.00  0.00    +0.088 A 
ATOM     24  C   LIG    1        4.039  -0.671   0.385  0.00  0.00    +0.041 A 
ATOM     25  C   LIG    1        3.174   0.263  -0.223  0.00  0.00    +0.130 A 
ATOM     26  N   LIG    1        3.500   1.557  -0.360  0.00  0.00    -0.220 NA
ATOM     27  C   LIG    1        4.677   1.931   0.137  0.00  0.00    +0.223 A 
ATOM     28  C   LIG    1        3.736  -2.053   0.493  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1        4.609  -2.937   1.110  0.00  0.00    +0.002 A 
ATOM     30  N   LIG    1        5.558   1.141   0.761  0.00  0.00    -0.235 NA
ATOM     31  C   LIG    1        5.800  -2.454   1.625  0.00  0.00    +0.015 A 
BRANCH  22  35
ATOM     32  N   LIG    1        7.832   0.611   2.026  0.00  0.00    -0.325 N 
ATOM     33  H   LIG    1        8.725   0.883   2.410  0.00  0.00    +0.145 HD
ATOM     34  H   LIG    1        7.246   1.301   1.565  0.00  0.00    +0.145 HD
ATOM     35  C   LIG    1        7.446  -0.694   2.106  0.00  0.00    +0.244 C 
ATOM     36  O   LIG    1        8.175  -1.514   2.654  0.00  0.00    -0.270 OA
ENDBRANCH  22  35
ENDBRANCH  20  25
ENDBRANCH   1  20
TORSDOF 6