REMARK  Name = BDB021816
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.182  -1.001  -0.427  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1       -1.381   0.087   0.102  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -0.416   0.728   0.893  0.00  0.00    -0.278 N 
ATOM      4  N   LIG    1       -2.551   0.806  -0.038  0.00  0.00    -0.269 N 
ATOM      5  H   LIG    1       -2.445   1.805   0.066  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -3.754   0.374  -0.630  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1       -4.047  -0.966  -0.902  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1       -5.277  -1.339  -1.478  0.00  0.00    +0.059 A 
ATOM      9  C   LIG    1       -6.213  -0.343  -1.783  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1       -5.922   0.985  -1.499  0.00  0.00    +0.126 A 
ATOM     11  F   LIG    1       -6.826   1.931  -1.783  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -4.710   1.351  -0.923  0.00  0.00    +0.061 A 
BRANCH   8  13
ATOM     13  C   LIG    1       -5.563  -2.787  -1.787  0.00  0.00    +0.418 C 
ATOM     14  F   LIG    1       -5.005  -3.188  -2.961  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -5.099  -3.639  -0.833  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -6.896  -3.052  -1.899  0.00  0.00    -0.166 F 
ENDBRANCH   8  13
ENDBRANCH   4   6
BRANCH   3  17
ATOM     17  C   LIG    1        0.944   0.159   1.003  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1        1.660  -0.027  -0.340  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1        3.088  -0.533  -0.118  0.00  0.00    +0.086 C 
ATOM     20  N   LIG    1        3.111  -1.775   0.666  0.00  0.00    -0.297 NA
ATOM     21  C   LIG    1        2.439  -1.617   1.963  0.00  0.00    +0.086 C 
ATOM     22  C   LIG    1        0.993  -1.141   1.809  0.00  0.00    +0.038 C 
BRANCH  20  23
ATOM     23  C   LIG    1        4.482  -2.295   0.865  0.00  0.00    +0.141 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.157  -2.818  -0.387  0.00  0.00    +0.073 A 
ATOM     25  N   LIG    1        4.862  -4.077  -0.807  0.00  0.00    -0.256 NA
ATOM     26  C   LIG    1        5.485  -4.487  -1.935  0.00  0.00    +0.131 A 
ATOM     27  C   LIG    1        6.384  -3.688  -2.618  0.00  0.00    +0.130 A 
ATOM     28  N   LIG    1        6.702  -2.440  -2.208  0.00  0.00    -0.260 NA
ATOM     29  C   LIG    1        6.067  -2.027  -1.085  0.00  0.00    +0.135 A 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   3  17
BRANCH   3  30
ATOM     30  C   LIG    1       -0.808   1.670   1.951  0.00  0.00    +0.144 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -0.952   3.100   1.480  0.00  0.00    -0.030 A 
ATOM     32  C   LIG    1       -1.957   3.911   2.032  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -2.108   5.237   1.621  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -1.251   5.772   0.663  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -0.238   4.984   0.120  0.00  0.00    +0.000 A 
ATOM     36  C   LIG    1       -0.085   3.659   0.530  0.00  0.00    +0.005 A 
ENDBRANCH  30  31
ENDBRANCH   3  30
TORSDOF 7