REMARK  Name = BDB018808
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.113  -1.095  -0.660  0.00  0.00    +0.241 C 
ATOM      2  N   LIG    1        1.236  -0.217  -0.046  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1       -0.168  -0.375   0.007  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1       -0.747   0.677   0.718  0.00  0.00    -0.024 A 
ATOM      5  C   LIG    1       -2.120   0.755   0.914  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1       -2.935  -0.245   0.369  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1       -2.350  -1.308  -0.342  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1        0.289   1.616   1.240  0.00  0.00    +0.056 C 
ATOM      9  C   LIG    1       -0.963  -1.376  -0.525  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        1.560   1.083   0.569  0.00  0.00    +0.118 C 
ATOM     11  O   LIG    1        1.753  -2.156  -1.185  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -4.369  -0.185   0.565  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -5.322  -0.216  -0.435  0.00  0.00    +0.146 A 
ATOM     14  N   LIG    1       -6.528  -0.107   0.196  0.00  0.00    -0.273 N 
ATOM     15  H   LIG    1       -7.454  -0.092  -0.225  0.00  0.00    +0.189 HD
ATOM     16  N   LIG    1       -6.431   0.012   1.529  0.00  0.00    -0.181 NA
ATOM     17  C   LIG    1       -5.116  -0.031   1.754  0.00  0.00    +0.143 A 
BRANCH  13  18
ATOM     18  C   LIG    1       -5.266  -0.316  -1.900  0.00  0.00    +0.434 C 
ATOM     19  F   LIG    1       -4.422   0.589  -2.449  0.00  0.00    -0.164 F 
ATOM     20  F   LIG    1       -4.873  -1.545  -2.311  0.00  0.00    -0.164 F 
ATOM     21  F   LIG    1       -6.489  -0.096  -2.453  0.00  0.00    -0.164 F 
ENDBRANCH  13  18
ENDBRANCH   6  12
BRANCH   1  23
ATOM     22  N   LIG    1        4.075   0.579  -0.976  0.00  0.00    -0.258 N 
ATOM     23  C   LIG    1        3.616  -0.806  -0.628  0.00  0.00    +0.170 C 
ATOM     24  C   LIG    1        4.254  -1.130   0.728  0.00  0.00    +0.034 C 
ATOM     25  C   LIG    1        5.092   0.084   1.101  0.00  0.00    +0.022 C 
ATOM     26  C   LIG    1        5.330   0.804  -0.212  0.00  0.00    +0.117 C 
BRANCH  22  28
ATOM     27  N   LIG    1        3.724   1.563  -3.247  0.00  0.00    -0.174 NA
ATOM     28  C   LIG    1        3.882   1.102  -2.198  0.00  0.00    +0.170 C 
ENDBRANCH  22  28
ENDBRANCH   1  23
TORSDOF 4