REMARK  Name = BDB026456
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.168  -0.569  -2.397  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1       -1.450  -0.464  -1.216  0.00  0.00    +0.305 C 
ATOM      3  N   LIG    1       -0.670  -0.884  -0.127  0.00  0.00    -0.281 N 
ATOM      4  C   LIG    1       -1.450  -0.801   1.090  0.00  0.00    +0.128 C 
ATOM      5  C   LIG    1       -2.527   0.214   0.738  0.00  0.00    +0.128 C 
ATOM      6  N   LIG    1       -2.628   0.088  -0.699  0.00  0.00    -0.280 N 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.434  -1.814  -0.308  0.00  0.00    +0.142 C 
BRANCH   7   8
ATOM      8  C   LIG    1        1.499  -1.800   0.802  0.00  0.00    +0.146 C 
BRANCH   8   9
ATOM      9  O   LIG    1        2.389  -2.917   0.669  0.00  0.00    -0.389 OA
ATOM     10  H   LIG    1        1.849  -3.721   0.586  0.00  0.00    +0.210 HD
ENDBRANCH   8   9
BRANCH   8  11
ATOM     11  C   LIG    1        2.298  -0.473   0.884  0.00  0.00    +0.117 C 
BRANCH  11  12
ATOM     12  N   LIG    1        2.854   0.028  -0.389  0.00  0.00    -0.295 NA
ATOM     13  C   LIG    1        4.042  -0.720  -0.841  0.00  0.00    +0.120 C 
ATOM     14  C   LIG    1        5.324  -0.392  -0.101  0.00  0.00    -0.030 A 
ATOM     15  C   LIG    1        5.479   0.837   0.566  0.00  0.00    -0.042 A 
ATOM     16  C   LIG    1        6.690   1.134   1.207  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        7.748   0.226   1.168  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        7.603  -0.985   0.495  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        4.324   1.803   0.651  0.00  0.00    +0.051 C 
ATOM     20  C   LIG    1        6.399  -1.292  -0.139  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        3.190   1.460  -0.327  0.00  0.00    +0.089 C 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   7   8
ENDBRANCH   3   7
BRANCH   6  22
ATOM     22  C   LIG    1       -3.479   0.938  -1.507  0.00  0.00    +0.146 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.923   0.861  -1.105  0.00  0.00    -0.012 A 
ATOM     24  C   LIG    1       -5.574   1.948  -0.535  0.00  0.00    +0.116 A 
ATOM     25  N   LIG    1       -6.867   1.936  -0.140  0.00  0.00    -0.251 NA
ATOM     26  C   LIG    1       -7.581   0.788  -0.329  0.00  0.00    +0.144 A 
ATOM     27  C   LIG    1       -7.001  -0.350  -0.892  0.00  0.00    +0.032 A 
ATOM     28  C   LIG    1       -5.664  -0.309  -1.282  0.00  0.00    +0.009 A 
BRANCH  26  29
ATOM     29  C   LIG    1       -9.036   0.726   0.118  0.00  0.00    +0.434 C 
ATOM     30  F   LIG    1       -9.618   1.943   0.311  0.00  0.00    -0.164 F 
ATOM     31  F   LIG    1       -9.835   0.077  -0.781  0.00  0.00    -0.164 F 
ATOM     32  F   LIG    1       -9.190   0.047   1.293  0.00  0.00    -0.164 F 
ENDBRANCH  26  29
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 8