REMARK  Name = BDB055738
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.059  -0.282   1.027  0.00  0.00    +0.181 C 
ENDROOT
BRANCH   1   9
ATOM      2  O   LIG    1       -5.172  -1.448  -2.735  0.00  0.00    -0.270 OA
ATOM      3  C   LIG    1       -4.368  -1.093  -1.882  0.00  0.00    +0.244 C 
ATOM      4  C   LIG    1       -4.675  -0.016  -0.900  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -3.675   0.478  -0.040  0.00  0.00    -0.013 A 
ATOM      6  C   LIG    1       -4.007   1.481   0.891  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -2.975   1.978   1.869  0.00  0.00    +0.051 C 
ATOM      8  C   LIG    1       -1.541   1.617   1.461  0.00  0.00    +0.090 C 
ATOM      9  N   LIG    1       -1.456   0.202   1.062  0.00  0.00    -0.285 NA
ATOM     10  C   LIG    1       -5.322   1.965   0.955  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -6.300   1.476   0.090  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -2.237  -0.018  -0.180  0.00  0.00    +0.105 C 
ATOM     13  C   LIG    1       -2.292  -1.499  -0.621  0.00  0.00    +0.128 C 
ATOM     14  C   LIG    1       -5.979   0.486  -0.836  0.00  0.00    +0.013 A 
ATOM     15  N   LIG    1       -3.134  -1.688  -1.784  0.00  0.00    -0.310 N 
ATOM     16  H   LIG    1       -3.021  -2.505  -2.371  0.00  0.00    +0.149 HD
ENDBRANCH   1   9
BRANCH   1  17
ATOM     17  C   LIG    1        0.856   0.328  -0.057  0.00  0.00    +0.230 C 
ATOM     18  N   LIG    1        2.151  -0.190  -0.148  0.00  0.00    -0.291 N 
ATOM     19  C   LIG    1        2.570  -1.413   0.553  0.00  0.00    +0.184 C 
ATOM     20  C   LIG    1        4.050  -1.551   0.580  0.00  0.00    +0.151 A 
ATOM     21  N   LIG    1        4.767  -2.469   1.189  0.00  0.00    -0.132 NA
ATOM     22  N   LIG    1        6.094  -2.207   0.935  0.00  0.00    -0.125 NA
ATOM     23  C   LIG    1        6.170  -1.130   0.172  0.00  0.00    +0.238 A 
ATOM     24  N   LIG    1        4.896  -0.701  -0.079  0.00  0.00    -0.305 N 
ATOM     25  C   LIG    1        4.445   0.436  -0.848  0.00  0.00    +0.144 C 
ATOM     26  C   LIG    1        2.991   0.247  -1.273  0.00  0.00    +0.130 C 
ATOM     27  O   LIG    1        0.491   1.237  -0.803  0.00  0.00    -0.274 OA
BRANCH  23  28
ATOM     28  C   LIG    1        7.378  -0.453  -0.354  0.00  0.00    +0.452 C 
ATOM     29  F   LIG    1        7.362   0.878  -0.068  0.00  0.00    -0.163 F 
ATOM     30  F   LIG    1        8.540  -0.948   0.135  0.00  0.00    -0.163 F 
ATOM     31  F   LIG    1        7.444  -0.544  -1.710  0.00  0.00    -0.163 F 
ENDBRANCH  23  28
ENDBRANCH   1  17
TORSDOF 3