REMARK  Name = BDB049070
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.381  -0.537  -0.543  0.00  0.00    +0.051 C 
ATOM      2  C   LIG    1        0.736  -1.796   0.305  0.00  0.00    +0.079 C 
ATOM      3  C   LIG    1        2.268  -1.681   0.540  0.00  0.00    +0.104 C 
ATOM      4  N   LIG    1        2.688  -0.423  -0.089  0.00  0.00    -0.296 NA
ATOM      5  C   LIG    1        1.496   0.428  -0.104  0.00  0.00    +0.094 C 
ENDROOT
BRANCH   1  11
ATOM      6  C   LIG    1       -4.585  -1.409  -0.812  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1       -3.462  -0.457  -0.520  0.00  0.00    -0.038 A 
ATOM      8  C   LIG    1       -3.705   0.874  -0.156  0.00  0.00    +0.040 A 
ATOM      9  C   LIG    1       -2.649   1.762   0.064  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -1.330   1.317  -0.051  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1       -1.044  -0.018  -0.380  0.00  0.00    -0.041 A 
ATOM     12  C   LIG    1       -2.128  -0.882  -0.632  0.00  0.00    +0.008 A 
BRANCH   8  13
ATOM     13  C   LIG    1       -5.083   1.390  -0.028  0.00  0.00    +0.246 C 
ATOM     14  N   LIG    1       -5.642   1.467   1.248  0.00  0.00    -0.304 N 
ATOM     15  C   LIG    1       -5.062   0.847   2.431  0.00  0.00    +0.132 C 
ATOM     16  C   LIG    1       -7.030   1.879   1.356  0.00  0.00    +0.132 C 
ATOM     17  O   LIG    1       -5.661   1.729  -1.057  0.00  0.00    -0.270 OA
ENDBRANCH   8  13
ENDBRANCH   1  11
BRANCH   2  18
ATOM     18  N   LIG    1        0.230  -3.104  -0.174  0.00  0.00    -0.304 NA
ATOM     19  C   LIG    1        0.741  -3.498  -1.487  0.00  0.00    +0.104 C 
ATOM     20  C   LIG    1        0.468  -4.165   0.805  0.00  0.00    +0.104 C 
ENDBRANCH   2  18
BRANCH   4  21
ATOM     21  C   LIG    1        3.833   0.185   0.595  0.00  0.00    +0.122 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.388   1.394  -0.128  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        4.262   2.656   0.470  0.00  0.00    +0.128 A 
ATOM     24  F   LIG    1        3.658   2.775   1.663  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1        4.742   3.810  -0.141  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1        5.361   3.722  -1.382  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        5.498   2.479  -2.002  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        5.026   1.305  -1.386  0.00  0.00    -0.043 A 
ATOM     29  C   LIG    1        5.173  -0.005  -2.112  0.00  0.00    +0.044 C 
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 5