REMARK  Name = BDB014057
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.129  -0.526  -0.863  0.00  0.00    -0.290 NA
ATOM      2  C   LIG    1        1.785  -0.707   0.563  0.00  0.00    +0.104 C 
ATOM      3  C   LIG    1        0.967  -1.999   0.802  0.00  0.00    +0.123 C 
ATOM      4  N   LIG    1       -0.268  -1.987  -0.012  0.00  0.00    -0.299 N 
ATOM      5  C   LIG    1        0.071  -1.841  -1.446  0.00  0.00    +0.123 C 
ATOM      6  C   LIG    1        0.900  -0.560  -1.689  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -1.391  -1.327   0.459  0.00  0.00    +0.200 A 
ATOM      8  N   LIG    1       -1.806  -1.660   1.714  0.00  0.00    -0.295 N 
ATOM      9  H   LIG    1       -1.364  -2.421   2.199  0.00  0.00    +0.172 HD
ATOM     10  C   LIG    1       -2.930  -1.150   2.279  0.00  0.00    +0.258 A 
ATOM     11  O   LIG    1       -3.348  -1.541   3.364  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1       -3.611  -0.106   1.497  0.00  0.00    +0.057 A 
ATOM     13  C   LIG    1       -4.799   0.562   2.122  0.00  0.00    +0.045 C 
ATOM     14  C   LIG    1       -5.193   1.842   1.391  0.00  0.00    +0.024 C 
ATOM     15  C   LIG    1       -5.132   1.634  -0.116  0.00  0.00    +0.106 C 
ATOM     16  N   LIG    1       -3.794   1.170  -0.493  0.00  0.00    -0.318 N 
ATOM     17  C   LIG    1       -3.445   1.356  -1.899  0.00  0.00    +0.130 C 
ATOM     18  C   LIG    1       -3.137   0.186   0.268  0.00  0.00    +0.133 A 
ATOM     19  N   LIG    1       -2.035  -0.455  -0.250  0.00  0.00    -0.200 NA
ENDBRANCH   4   7
BRANCH   1  21
ATOM     20  C   LIG    1        2.398   2.013  -0.625  0.00  0.00    +0.032 C 
ATOM     21  C   LIG    1        2.959   0.679  -1.143  0.00  0.00    +0.122 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.425   0.517  -0.702  0.00  0.00    +0.146 A 
ATOM     23  N   LIG    1        5.326   0.165  -1.651  0.00  0.00    -0.236 NA
ATOM     24  C   LIG    1        6.605   0.007  -1.245  0.00  0.00    +0.152 A 
ATOM     25  C   LIG    1        7.012   0.190   0.052  0.00  0.00    +0.159 A 
ATOM     26  F   LIG    1        8.286   0.029   0.424  0.00  0.00    -0.202 F 
ATOM     27  C   LIG    1        6.035   0.551   0.945  0.00  0.00    +0.152 A 
ATOM     28  N   LIG    1        4.739   0.721   0.601  0.00  0.00    -0.236 NA
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 3