REMARK  Name = BDB052809
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.784   0.926   0.526  0.00  0.00    +0.041 A 
ATOM      2  N   LIG    1       -1.118   1.966  -0.340  0.00  0.00    -0.309 N 
ATOM      3  C   LIG    1        0.044   2.657  -0.686  0.00  0.00    +0.090 A 
ATOM      4  C   LIG    1        1.106   2.087   0.024  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1        2.402   2.639  -0.106  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        2.616   3.740  -0.938  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        1.553   4.308  -1.624  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1        0.266   3.786  -1.496  0.00  0.00    +0.148 A 
ATOM      9  F   LIG    1       -0.729   4.402  -2.145  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        0.581   1.006   0.786  0.00  0.00    +0.066 A 
ENDROOT
BRANCH  10  11
ATOM     11  C   LIG    1        1.306   0.123   1.692  0.00  0.00    +0.249 C 
ATOM     12  N   LIG    1        2.255  -0.724   1.132  0.00  0.00    -0.295 N 
ATOM     13  C   LIG    1        3.010  -1.607   2.020  0.00  0.00    +0.123 C 
ATOM     14  C   LIG    1        4.322  -2.079   1.372  0.00  0.00    +0.100 C 
ATOM     15  N   LIG    1        4.162  -2.764   0.076  0.00  0.00    -0.313 NA
ATOM     16  H   LIG    1        4.954  -2.526  -0.520  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1        2.902  -2.404  -0.596  0.00  0.00    +0.100 C 
ATOM     18  C   LIG    1        2.402  -0.978  -0.306  0.00  0.00    +0.123 C 
ATOM     19  O   LIG    1        1.069   0.145   2.898  0.00  0.00    -0.270 OA
ENDBRANCH  10  11
BRANCH   2  20
ATOM     20  C   LIG    1       -2.428   2.272  -0.802  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1       -3.473   2.423   0.117  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1       -4.761   2.713  -0.337  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -5.004   2.854  -1.703  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -3.962   2.713  -2.618  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -2.671   2.424  -2.171  0.00  0.00    +0.026 A 
ENDBRANCH   2  20
BRANCH   1  26
ATOM     26  C   LIG    1       -1.737  -0.147   1.000  0.00  0.00    +0.090 C 
BRANCH  26  29
ATOM     27  C   LIG    1       -1.165  -2.665   2.615  0.00  0.00    +0.047 C 
ATOM     28  C   LIG    1       -1.199  -2.666   1.113  0.00  0.00    -0.012 A 
ATOM     29  C   LIG    1       -1.467  -1.502   0.358  0.00  0.00    -0.036 A 
ATOM     30  C   LIG    1       -1.528  -1.607  -1.048  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -1.286  -2.817  -1.700  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1       -0.990  -3.950  -0.954  0.00  0.00    +0.038 A 
ATOM     33  C   LIG    1       -0.952  -3.868   0.434  0.00  0.00    +0.127 A 
ATOM     34  F   LIG    1       -0.674  -4.984   1.125  0.00  0.00    -0.205 F 
ENDBRANCH  26  29
ENDBRANCH   1  26
TORSDOF 4