REMARK  Name = BDB033122
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.271  -2.052   0.371  0.00  0.00    -0.295 N 
ATOM      2  C   LIG    1        1.669  -2.950  -0.615  0.00  0.00    +0.216 C 
ATOM      3  O   LIG    1        2.487  -2.693  -1.492  0.00  0.00    -0.276 OA
ATOM      4  C   LIG    1        0.969  -4.290  -0.534  0.00  0.00    +0.098 C 
ATOM      5  C   LIG    1       -0.548  -4.090  -0.463  0.00  0.00    +0.033 C 
ATOM      6  C   LIG    1       -0.981  -3.021   0.563  0.00  0.00    +0.091 C 
ATOM      7  C   LIG    1        0.239  -2.469   1.322  0.00  0.00    +0.130 C 
ENDROOT
BRANCH   6   8
ATOM      8  N   LIG    1       -1.696  -1.928  -0.098  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1       -1.256  -1.486  -0.904  0.00  0.00    +0.149 HD
ATOM     10  C   LIG    1       -2.580  -1.137   0.607  0.00  0.00    +0.248 C 
ATOM     11  O   LIG    1       -3.014  -1.449   1.712  0.00  0.00    -0.270 OA
BRANCH  10  12
ATOM     12  C   LIG    1       -2.993   0.156  -0.015  0.00  0.00    +0.079 A 
ATOM     13  C   LIG    1       -2.220   0.852  -0.953  0.00  0.00    +0.129 A 
ATOM     14  C   LIG    1       -2.639   2.088  -1.446  0.00  0.00    +0.047 A 
ATOM     15  C   LIG    1       -3.842   2.643  -1.004  0.00  0.00    +0.016 A 
ATOM     16  C   LIG    1       -4.637   1.968  -0.066  0.00  0.00    +0.056 A 
ATOM     17  C   LIG    1       -4.195   0.730   0.431  0.00  0.00    +0.029 A 
BRANCH  16  18
ATOM     18  C   LIG    1       -5.924   2.576   0.438  0.00  0.00    +0.417 C 
ATOM     19  F   LIG    1       -6.891   1.650   0.685  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -6.474   3.463  -0.438  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1       -5.751   3.261   1.601  0.00  0.00    -0.166 F 
ENDBRANCH  16  18
BRANCH  13  22
ATOM     22  O   LIG    1       -1.030   0.351  -1.401  0.00  0.00    -0.506 OA
ATOM     23  H   LIG    1       -0.393   1.100  -1.475  0.00  0.00    +0.292 HD
ENDBRANCH  13  22
ENDBRANCH  10  12
ENDBRANCH   6   8
BRANCH   1  24
ATOM     24  C   LIG    1        1.468  -0.629   0.126  0.00  0.00    +0.143 C 
BRANCH  24  26
ATOM     25  C   LIG    1        3.118   1.294   0.305  0.00  0.00    +0.064 A 
ATOM     26  C   LIG    1        2.719  -0.007   0.701  0.00  0.00    -0.016 A 
ATOM     27  C   LIG    1        3.492  -0.685   1.662  0.00  0.00    +0.006 A 
ATOM     28  C   LIG    1        4.635  -0.102   2.211  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.024   1.173   1.817  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        4.271   1.869   0.872  0.00  0.00    +0.015 A 
BRANCH  25  31
ATOM     31  C   LIG    1        2.323   2.083  -0.696  0.00  0.00    +0.339 C 
ATOM     32  O   LIG    1        1.138   1.914  -0.951  0.00  0.00    -0.245 OA
BRANCH  31  34
ATOM     33  C   LIG    1        2.478   3.786  -2.300  0.00  0.00    +0.280 C 
ATOM     34  O   LIG    1        3.124   2.999  -1.299  0.00  0.00    -0.464 OA
ENDBRANCH  31  34
ENDBRANCH  25  31
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 8