REMARK  Name = BDB057081
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.293   0.625  -2.291  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -1.990  -0.353  -1.555  0.00  0.00    +0.304 C 
ATOM      3  N   LIG    1       -0.630  -0.804  -1.482  0.00  0.00    -0.296 N 
ATOM      4  H   LIG    1       -0.431  -1.665  -0.924  0.00  0.00    +0.151 HD
ATOM      5  N   LIG    1       -3.007  -1.047  -0.817  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1       -2.802  -2.023  -0.506  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.466  -0.124  -2.185  0.00  0.00    +0.077 C 
ATOM      8  C   LIG    1        1.725  -1.019  -2.232  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        2.565  -0.950  -0.938  0.00  0.00    +0.086 C 
ATOM     10  N   LIG    1        1.776  -0.370   0.165  0.00  0.00    -0.298 NA
ATOM     11  C   LIG    1        1.425   1.040  -0.106  0.00  0.00    +0.086 C 
ATOM     12  C   LIG    1        0.794   1.219  -1.505  0.00  0.00    +0.038 C 
BRANCH  10  13
ATOM     13  C   LIG    1        2.388  -0.569   1.497  0.00  0.00    +0.119 C 
BRANCH  13  14
ATOM     14  C   LIG    1        3.732   0.110   1.661  0.00  0.00    -0.033 A 
ATOM     15  C   LIG    1        4.915  -0.551   1.290  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        6.155   0.071   1.463  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        6.226   1.351   2.018  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        5.056   2.006   2.413  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        3.814   1.386   2.245  0.00  0.00    +0.005 A 
ENDBRANCH  13  14
ENDBRANCH  10  13
ENDBRANCH   3   7
BRANCH   5  20
ATOM     20  C   LIG    1       -4.310  -0.507  -0.543  0.00  0.00    +0.036 A 
ATOM     21  C   LIG    1       -5.405  -1.376  -0.421  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -6.677  -0.875  -0.132  0.00  0.00    +0.108 A 
ATOM     23  C   LIG    1       -6.867   0.497   0.044  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -5.781   1.371  -0.059  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -4.505   0.873  -0.341  0.00  0.00    +0.023 A 
BRANCH  22  26
ATOM     26  S   LIG    1       -8.046  -2.209  -0.018  0.00  0.00    +0.312 S 
ATOM     27  F   LIG    1       -1.306  -0.341   1.869  0.00  0.00    -0.093 F 
ATOM     28  F   LIG    1       -1.293  -0.354   1.846  0.00  0.00    -0.093 F 
ATOM     29  F   LIG    1       -6.483  -1.603   2.797  0.00  0.00    -0.093 F 
ATOM     30  F   LIG    1       -1.286  -0.361   1.869  0.00  0.00    -0.093 F 
ATOM     31  F   LIG    1       -1.252  -0.448   1.874  0.00  0.00    -0.093 F 
ENDBRANCH  22  26
ENDBRANCH   5  20
TORSDOF 5