REMARK  Name = BDB009255
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.054   0.048  -1.460  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.169  -0.450  -0.988  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -0.694  -1.648  -1.504  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1        0.019  -2.331  -2.501  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        1.232  -1.832  -2.977  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.747  -0.645  -2.461  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        2.357   1.996  -1.685  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        1.643   1.318  -0.953  0.00  0.00    +0.244 C 
ATOM      9  N   LIG    1        1.366   1.643   0.362  0.00  0.00    -0.311 N 
ATOM     10  H   LIG    1        0.913   0.960   0.951  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        2.007   2.776   1.010  0.00  0.00    +0.109 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.020   2.354   2.086  0.00  0.00    +0.054 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.130   1.434   1.626  0.00  0.00    -0.045 A 
ATOM     14  C   LIG    1        4.433   0.279   2.363  0.00  0.00    +0.016 A 
ATOM     15  C   LIG    1        5.465  -0.590   1.966  0.00  0.00    +0.055 A 
ATOM     16  C   LIG    1        6.198  -0.289   0.810  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        5.917   0.864   0.080  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        4.896   1.723   0.489  0.00  0.00    +0.004 A 
BRANCH  15  19
ATOM     19  C   LIG    1        5.747  -1.840   2.761  0.00  0.00    +0.417 C 
ATOM     20  F   LIG    1        6.952  -2.409   2.477  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1        5.749  -1.620   4.106  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1        4.816  -2.810   2.546  0.00  0.00    -0.166 F 
ENDBRANCH  15  19
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   3  23
ATOM     23  C   LIG    1       -2.013  -2.195  -1.005  0.00  0.00    +0.092 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.212  -1.382  -1.490  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1       -4.070  -0.660  -0.496  0.00  0.00    -0.016 A 
ATOM     26  C   LIG    1       -3.849  -0.821   0.983  0.00  0.00    +0.037 C 
ATOM     27  C   LIG    1       -4.991  -0.263   1.842  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -5.475   1.078   1.305  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -5.974   0.936  -0.136  0.00  0.00    +0.041 C 
ATOM     30  C   LIG    1       -5.053   0.110  -0.994  0.00  0.00    +0.023 A 
ATOM     31  C   LIG    1       -5.285   0.168  -2.461  0.00  0.00    +0.268 A 
ATOM     32  O   LIG    1       -6.177   0.854  -2.947  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1       -4.456  -0.607  -3.228  0.00  0.00    -0.243 N 
ATOM     34  H   LIG    1       -4.596  -0.584  -4.234  0.00  0.00    +0.192 HD
ATOM     35  N   LIG    1       -3.423  -1.364  -2.774  0.00  0.00    -0.175 NA
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 7