REMARK  Name = BDB050082
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.277  -0.135  -0.806  0.00  0.00    +0.140 A 
ATOM      2  N   LIG    1       -0.984  -0.029  -0.627  0.00  0.00    -0.150 NA
ATOM      3  N   LIG    1       -0.315   0.611  -1.637  0.00  0.00    -0.212 N 
ATOM      4  C   LIG    1       -0.864   1.141  -2.792  0.00  0.00    +0.155 A 
ATOM      5  N   LIG    1        0.045   1.698  -3.561  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1        1.228   1.525  -2.888  0.00  0.00    +0.141 A 
ATOM      7  C   LIG    1       -2.255   1.006  -2.963  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        1.048   0.854  -1.692  0.00  0.00    +0.086 A 
ATOM      9  C   LIG    1       -2.975   0.389  -2.019  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -2.921  -0.782   0.219  0.00  0.00    -0.323 N 
ATOM     11  H   LIG    1       -2.269  -0.956   0.981  0.00  0.00    +0.148 HD
BRANCH  10  12
ATOM     12  CA  LIG    1       -4.306  -0.661   0.665  0.00  0.00    +0.097 C 
BRANCH  12  14
ATOM     13  C   LIG    1       -6.009   0.968   1.658  0.00  0.00    +0.006 C 
ATOM     14  C   LIG    1       -4.666   0.805   0.960  0.00  0.00    +0.021 C 
ENDBRANCH  12  14
BRANCH  12  15
ATOM     15  C   LIG    1       -5.282  -1.373  -0.292  0.00  0.00    +0.178 C 
BRANCH  15  16
ATOM     16  O   LIG    1       -6.361  -1.973   0.424  0.00  0.00    -0.393 OA
ATOM     17  H   LIG    1       -6.007  -2.756   0.881  0.00  0.00    +0.209 HD
ENDBRANCH  15  16
ENDBRANCH  12  15
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   8  18
ATOM     18  C   LIG    1        1.894   0.422  -0.638  0.00  0.00    +0.030 C 
ATOM     19  C   LIG    1        3.219   0.637  -0.668  0.00  0.00    +0.010 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.133   0.203   0.398  0.00  0.00    -0.024 A 
ATOM     21  C   LIG    1        5.387  -0.316   0.047  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        6.304  -0.724   1.032  0.00  0.00    +0.055 A 
ATOM     23  C   LIG    1        5.959  -0.580   2.383  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1        4.720  -0.050   2.741  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        3.814   0.342   1.754  0.00  0.00    +0.008 A 
BRANCH  22  26
ATOM     26  C   LIG    1        7.654  -1.268   0.637  0.00  0.00    +0.417 C 
ATOM     27  F   LIG    1        8.581  -0.285   0.473  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1        8.177  -2.125   1.558  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        7.630  -1.958  -0.538  0.00  0.00    -0.166 F 
ENDBRANCH  22  26
ENDBRANCH  19  20
ENDBRANCH   8  18
TORSDOF 8