REMARK  Name = BDB021599
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.603  -0.830   0.063  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1        3.804  -0.286  -0.943  0.00  0.00    +0.059 A 
ATOM      3  C   LIG    1        2.422  -0.072  -0.754  0.00  0.00    +0.133 A 
ATOM      4  O   LIG    1        1.879   0.481  -1.876  0.00  0.00    -0.490 OA
ATOM      5  C   LIG    1        0.593   1.069  -1.788  0.00  0.00    +0.248 C 
ATOM      6  C   LIG    1       -0.455   0.026  -1.469  0.00  0.00    +0.149 C 
ATOM      7  N   LIG    1       -0.648  -0.056  -0.031  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1        0.375  -0.346   0.866  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1        0.102  -0.548   2.054  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        1.819  -0.446   0.456  0.00  0.00    +0.078 A 
ATOM     11  C   LIG    1        2.652  -1.023   1.450  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        4.022  -1.220   1.260  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  14
ATOM     13  O   LIG    1        6.489  -2.183   0.084  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1        6.049  -1.060  -0.148  0.00  0.00    +0.247 C 
ATOM     15  N   LIG    1        6.846  -0.006  -0.595  0.00  0.00    -0.295 N 
ATOM     16  C   LIG    1        6.458   1.410  -0.520  0.00  0.00    +0.145 C 
ATOM     17  C   LIG    1        7.643   2.320  -0.211  0.00  0.00    +0.183 C 
ATOM     18  F   LIG    1        7.232   3.616  -0.200  0.00  0.00    -0.244 F 
ATOM     19  C   LIG    1        8.762   2.167  -1.238  0.00  0.00    +0.040 C 
ATOM     20  C   LIG    1        8.855   0.755  -1.820  0.00  0.00    +0.022 C 
ATOM     21  C   LIG    1        8.245  -0.298  -0.901  0.00  0.00    +0.108 C 
ENDBRANCH   1  14
BRANCH   7  22
ATOM     22  C   LIG    1       -2.034  -0.202   0.444  0.00  0.00    +0.140 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.543  -1.646   0.314  0.00  0.00    +0.146 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -2.918  -1.895  -1.054  0.00  0.00    -0.389 OA
ATOM     25  H   LIG    1       -3.860  -1.628  -1.099  0.00  0.00    +0.210 HD
ENDBRANCH  23  24
BRANCH  23  26
ATOM     26  C   LIG    1       -3.761  -1.959   1.214  0.00  0.00    +0.117 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -5.002  -1.331   0.696  0.00  0.00    -0.295 NA
ATOM     28  C   LIG    1       -5.292  -0.066   1.411  0.00  0.00    +0.120 C 
ATOM     29  C   LIG    1       -6.612   0.560   1.014  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1       -7.640  -0.222   0.459  0.00  0.00    -0.042 A 
ATOM     31  C   LIG    1       -8.867   0.371   0.133  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -9.081   1.727   0.378  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -8.071   2.501   0.945  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -7.398  -1.677   0.157  0.00  0.00    +0.051 C 
ATOM     35  C   LIG    1       -6.844   1.921   1.265  0.00  0.00    +0.005 A 
ATOM     36  C   LIG    1       -6.157  -2.235   0.869  0.00  0.00    +0.089 C 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH   7  22
TORSDOF 6