REMARK  Name = BDB018977
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.980  -1.162   0.392  0.00  0.00    -0.300 N 
ATOM      2  C   LIG    1        0.343  -0.715   0.158  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        1.452  -1.519   0.478  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        2.759  -1.054   0.246  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        2.995   0.207  -0.317  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1        1.905   1.032  -0.630  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1        1.278  -2.875   1.113  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -0.135  -3.402   0.932  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1        0.600   0.556  -0.387  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -1.134  -2.313   1.294  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   1  17
ATOM     11  C   LIG    1       -5.814   0.442   2.309  0.00  0.00    +0.138 C 
ATOM     12  N   LIG    1       -5.595   0.586   0.895  0.00  0.00    -0.274 N 
ATOM     13  C   LIG    1       -4.414   0.225   0.241  0.00  0.00    +0.041 A 
ATOM     14  C   LIG    1       -4.537   0.505  -1.118  0.00  0.00    -0.017 A 
ATOM     15  C   LIG    1       -3.502   0.244  -1.993  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1       -2.328  -0.309  -1.471  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1       -2.184  -0.599  -0.092  0.00  0.00    +0.036 A 
ATOM     18  C   LIG    1       -5.889   1.090  -1.392  0.00  0.00    +0.133 C 
ATOM     19  C   LIG    1       -3.259  -0.324   0.771  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1       -6.530   1.111  -0.001  0.00  0.00    +0.224 C 
ATOM     21  O   LIG    1       -7.654   1.515   0.256  0.00  0.00    -0.275 OA
ENDBRANCH   1  17
BRANCH   5  22
ATOM     22  C   LIG    1        4.365   0.619  -0.546  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        5.314   0.746   0.446  0.00  0.00    +0.116 A 
ATOM     24  N   LIG    1        6.458   1.153  -0.177  0.00  0.00    -0.274 N 
ATOM     25  C   LIG    1        7.734   1.424   0.439  0.00  0.00    +0.172 C 
ATOM     26  N   LIG    1        6.320   1.304  -1.506  0.00  0.00    -0.179 NA
ATOM     27  C   LIG    1        5.047   0.968  -1.732  0.00  0.00    +0.142 A 
ENDBRANCH   5  22
BRANCH   6  28
ATOM     28  C   LIG    1        2.085   2.408  -1.220  0.00  0.00    +0.372 C 
ATOM     29  F   LIG    1        0.954   3.171  -1.166  0.00  0.00    -0.204 F 
ATOM     30  F   LIG    1        2.426   2.364  -2.539  0.00  0.00    -0.204 F 
ENDBRANCH   6  28
TORSDOF 3