REMARK  Name = BDB057080
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.970  -1.270   1.248  0.00  0.00    -0.296 N 
ATOM      2  H   LIG    1        0.295  -0.780   0.673  0.00  0.00    +0.151 HD
ATOM      3  C   LIG    1        2.270  -1.200   0.783  0.00  0.00    +0.304 C 
ATOM      4  N   LIG    1        2.500   0.029   0.203  0.00  0.00    -0.269 N 
ATOM      5  H   LIG    1        1.783   0.717   0.379  0.00  0.00    +0.156 HD
ATOM      6  O   LIG    1        3.070  -2.116   0.910  0.00  0.00    -0.253 OA
ENDROOT
BRANCH   1  10
ATOM      7  N   LIG    1       -1.886  -2.009   0.449  0.00  0.00    -0.298 NA
ATOM      8  C   LIG    1       -1.419  -3.388   0.292  0.00  0.00    +0.086 C 
ATOM      9  C   LIG    1        0.052  -3.509   0.715  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1        0.442  -2.509   1.819  0.00  0.00    +0.077 C 
ATOM     11  C   LIG    1       -0.772  -2.204   2.695  0.00  0.00    +0.038 C 
ATOM     12  C   LIG    1       -1.942  -1.636   1.876  0.00  0.00    +0.086 C 
BRANCH   7  13
ATOM     13  C   LIG    1       -3.180  -1.798  -0.220  0.00  0.00    +0.119 C 
BRANCH  13  18
ATOM     14  C   LIG    1       -4.493   3.863  -0.722  0.00  0.00    +0.044 C 
ATOM     15  C   LIG    1       -4.174   2.401  -0.612  0.00  0.00    -0.050 A 
ATOM     16  C   LIG    1       -3.083   1.862  -1.303  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1       -2.768   0.507  -1.178  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1       -3.531  -0.331  -0.352  0.00  0.00    -0.033 A 
ATOM     19  C   LIG    1       -4.612   0.215   0.350  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1       -4.927   1.571   0.225  0.00  0.00    +0.003 A 
ENDBRANCH  13  18
ENDBRANCH   7  13
ENDBRANCH   1  10
BRANCH   4  21
ATOM     21  C   LIG    1        3.666   0.471  -0.451  0.00  0.00    +0.035 A 
ATOM     22  C   LIG    1        3.707   1.813  -0.849  0.00  0.00    +0.035 A 
ATOM     23  C   LIG    1        4.824   2.338  -1.523  0.00  0.00    +0.057 A 
ATOM     24  C   LIG    1        5.912   1.496  -1.788  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        5.876   0.159  -1.397  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        4.756  -0.351  -0.734  0.00  0.00    +0.023 A 
BRANCH  23  27
ATOM     27  C   LIG    1        4.871   3.787  -1.934  0.00  0.00    +0.417 C 
ATOM     28  F   LIG    1        3.654   4.400  -1.893  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        5.330   3.962  -3.204  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        5.688   4.528  -1.136  0.00  0.00    -0.166 F 
ENDBRANCH  23  27
ENDBRANCH   4  21
TORSDOF 5