REMARK  Name = BDB008365
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.083  -0.875   1.973  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.303  -2.237   1.800  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -1.548  -2.735   1.787  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        0.770  -3.105   1.636  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        2.075  -2.606   1.661  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        2.316  -1.235   1.854  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        1.223  -0.375   2.037  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -0.844   0.552  -0.994  0.00  0.00    +0.036 C 
ATOM      9  C   LIG    1       -1.960  -0.175  -0.235  0.00  0.00    +0.141 C 
ATOM     10  N   LIG    1       -2.087   0.353   1.145  0.00  0.00    -0.286 N 
ATOM     11  C   LIG    1       -1.210   0.043   2.191  0.00  0.00    +0.250 C 
ATOM     12  O   LIG    1       -1.303   0.538   3.314  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1       -3.310   1.070   1.528  0.00  0.00    +0.133 C 
ATOM     14  C   LIG    1       -3.998   1.838   0.385  0.00  0.00    +0.104 C 
ATOM     15  C   LIG    1       -5.245   2.523   0.938  0.00  0.00    +0.032 C 
ATOM     16  N   LIG    1       -4.186   0.920  -0.725  0.00  0.00    -0.307 N 
ATOM     17  C   LIG    1       -5.133   0.804  -1.707  0.00  0.00    +0.165 A 
ATOM     18  N   LIG    1       -4.794  -0.198  -2.497  0.00  0.00    -0.132 NA
ATOM     19  N   LIG    1       -3.611  -0.724  -2.057  0.00  0.00    -0.132 NA
ATOM     20  C   LIG    1       -3.236  -0.036  -1.002  0.00  0.00    +0.154 A 
BRANCH  17  21
ATOM     21  C   LIG    1       -6.325   1.660  -1.907  0.00  0.00    +0.289 C 
ATOM     22  F   LIG    1       -7.186   1.571  -0.857  0.00  0.00    -0.241 F 
ENDBRANCH  17  21
ENDBRANCH   1  11
BRANCH   6  23
ATOM     23  C   LIG    1        3.731  -0.701   1.912  0.00  0.00    +0.093 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.565  -1.085   0.696  0.00  0.00    +0.074 A 
ATOM     25  C   LIG    1        4.392  -0.356  -0.588  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1        5.159  -0.786  -1.670  0.00  0.00    +0.050 A 
ATOM     27  C   LIG    1        5.047  -0.161  -2.918  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1        4.163   0.903  -3.083  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        3.397   1.343  -2.004  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        6.097  -1.905  -1.487  0.00  0.00    +0.272 A 
ATOM     31  O   LIG    1        6.793  -2.314  -2.410  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1        6.145  -2.454  -0.230  0.00  0.00    -0.242 N 
ATOM     33  H   LIG    1        6.787  -3.227  -0.086  0.00  0.00    +0.192 HD
ATOM     34  C   LIG    1        3.511   0.718  -0.758  0.00  0.00    +0.010 A 
ATOM     35  N   LIG    1        5.400  -2.072   0.841  0.00  0.00    -0.175 NA
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 4