REMARK  Name = BDB054795
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.202  -0.255   1.878  0.00  0.00    +0.094 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.619  -0.678   1.512  0.00  0.00    +0.087 A 
ATOM      3  C   LIG    1        2.307  -0.002   0.357  0.00  0.00    +0.059 A 
ATOM      4  N   LIG    1        1.653   0.940  -0.433  0.00  0.00    -0.342 N 
ATOM      5  H   LIG    1        0.651   0.779  -0.504  0.00  0.00    +0.146 HD
ATOM      6  C   LIG    1        2.247   1.365  -1.700  0.00  0.00    +0.102 C 
ATOM      7  C   LIG    1        3.751   1.545  -1.520  0.00  0.00    +0.023 C 
ATOM      8  C   LIG    1        4.397   0.269  -0.964  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1        3.584  -0.354   0.137  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1        4.226  -1.398   0.966  0.00  0.00    +0.270 A 
ATOM     11  O   LIG    1        5.388  -1.746   0.779  0.00  0.00    -0.266 OA
ATOM     12  N   LIG    1        3.443  -1.960   1.939  0.00  0.00    -0.243 N 
ATOM     13  H   LIG    1        3.870  -2.674   2.521  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1        2.164  -1.608   2.241  0.00  0.00    -0.174 NA
ENDBRANCH   1   2
BRANCH   1  20
ATOM     15  C   LIG    1       -2.892  -0.385  -0.383  0.00  0.00    +0.072 A 
ATOM     16  C   LIG    1       -2.865  -1.729  -0.767  0.00  0.00    +0.145 A 
ATOM     17  F   LIG    1       -3.790  -2.245  -1.585  0.00  0.00    -0.204 F 
ATOM     18  C   LIG    1       -1.875  -2.594  -0.304  0.00  0.00    +0.040 A 
ATOM     19  C   LIG    1       -0.880  -2.128   0.552  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -0.862  -0.783   0.940  0.00  0.00    -0.040 A 
ATOM     21  C   LIG    1       -1.882   0.072   0.481  0.00  0.00    +0.030 A 
BRANCH  15  24
ATOM     22  O   LIG    1       -5.441  -0.457  -2.304  0.00  0.00    -0.275 OA
ATOM     23  C   LIG    1       -4.946   0.419  -1.636  0.00  0.00    +0.221 C 
ATOM     24  N   LIG    1       -3.871   0.513  -0.813  0.00  0.00    -0.268 N 
ATOM     25  C   LIG    1       -4.057   1.919  -0.483  0.00  0.00    +0.123 C 
ATOM     26  C   LIG    1       -5.295   1.895  -1.393  0.00  0.00    +0.115 C 
ENDBRANCH  15  24
ENDBRANCH   1  20
TORSDOF 3