REMARK  Name = BDB040875
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.600  -1.215  -0.805  0.00  0.00    -0.250 N 
ATOM      2  C   LIG    1        2.304  -1.143  -0.346  0.00  0.00    +0.130 A 
ATOM      3  N   LIG    1        1.663  -1.849   0.677  0.00  0.00    -0.258 N 
ATOM      4  C   LIG    1        0.285  -1.615   0.858  0.00  0.00    +0.242 C 
ATOM      5  C   LIG    1       -0.488  -0.913  -0.289  0.00  0.00    +0.172 C 
ATOM      6  C   LIG    1        0.289   0.255  -0.923  0.00  0.00    +0.083 C 
ATOM      7  O   LIG    1       -0.336  -2.027   1.847  0.00  0.00    -0.273 OA
ATOM      8  C   LIG    1        2.326  -2.713   1.638  0.00  0.00    +0.140 C 
ATOM      9  C   LIG    1        1.711  -0.142  -1.091  0.00  0.00    +0.025 A 
ATOM     10  C   LIG    1        2.707   0.332  -1.970  0.00  0.00    +0.066 A 
ATOM     11  C   LIG    1        2.606   1.412  -2.981  0.00  0.00    +0.068 C 
ATOM     12  N   LIG    1        3.856  -0.325  -1.792  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.279   1.563  -0.137  0.00  0.00    -0.037 A 
ATOM     14  C   LIG    1       -0.406   2.667  -0.686  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1       -0.476   3.882  -0.002  0.00  0.00    +0.038 A 
ATOM     16  C   LIG    1        0.133   4.004   1.238  0.00  0.00    +0.123 A 
ATOM     17  F   LIG    1        0.065   5.168   1.896  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1        0.809   2.934   1.808  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1        0.879   1.716   1.127  0.00  0.00    +0.007 A 
ENDBRANCH   6  13
BRANCH   5  20
ATOM     20  N   LIG    1       -1.825  -0.553   0.193  0.00  0.00    -0.299 N 
ATOM     21  H   LIG    1       -2.059  -0.882   1.125  0.00  0.00    +0.150 HD
ATOM     22  C   LIG    1       -2.821  -0.151  -0.664  0.00  0.00    +0.245 C 
ATOM     23  O   LIG    1       -2.647  -0.021  -1.871  0.00  0.00    -0.270 OA
BRANCH  22  24
ATOM     24  C   LIG    1       -4.155   0.103  -0.057  0.00  0.00    +0.037 A 
ATOM     25  C   LIG    1       -5.292  -0.036  -0.864  0.00  0.00    +0.016 A 
ATOM     26  C   LIG    1       -6.572   0.191  -0.339  0.00  0.00    -0.050 A 
ATOM     27  C   LIG    1       -7.783   0.068  -1.215  0.00  0.00    +0.044 C 
ATOM     28  C   LIG    1       -6.697   0.592   0.996  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1       -5.566   0.748   1.800  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -4.295   0.506   1.276  0.00  0.00    +0.013 A 
ENDBRANCH  22  24
ENDBRANCH   5  20
BRANCH   1  31
ATOM     31  C   LIG    1        4.686  -2.106  -0.442  0.00  0.00    +0.145 C 
BRANCH  31  33
ATOM     32  C   LIG    1        6.747  -2.435   0.963  0.00  0.00    +0.005 C 
ATOM     33  C   LIG    1        5.662  -1.460   0.538  0.00  0.00    +0.020 C 
ENDBRANCH  31  33
ENDBRANCH   1  31
TORSDOF 5