REMARK  Name = BDB012847
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.535  -0.806  -0.849  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -1.374  -0.446  -0.180  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -0.100  -0.457  -0.888  0.00  0.00    +0.116 C 
ATOM      4  C   LIG    1        0.919   0.022   0.151  0.00  0.00    +0.038 C 
ATOM      5  C   LIG    1        0.087   1.005   0.984  0.00  0.00    +0.028 C 
ATOM      6  C   LIG    1       -1.273   0.320   1.057  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1       -2.504  -1.113  -2.040  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -5.886  -0.674   0.584  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1       -5.188  -1.093   1.647  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1       -3.933  -1.209   1.186  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1       -3.230  -1.589   1.808  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1       -3.769  -0.800  -0.107  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -5.045  -0.494  -0.540  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -8.139  -1.393  -0.251  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -7.369  -0.461   0.687  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1       -7.748   0.998   0.423  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  C   LIG    1        2.192   0.603  -0.412  0.00  0.00    -0.042 A 
ATOM     18  C   LIG    1        3.432   0.054  -0.036  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1        4.641   0.568  -0.531  0.00  0.00    -0.015 A 
ATOM     20  C   LIG    1        4.600   1.649  -1.420  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        3.378   2.204  -1.802  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        2.184   1.687  -1.301  0.00  0.00    +0.004 A 
BRANCH  19  23
ATOM     23  C   LIG    1        5.905  -0.025  -0.126  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        7.107   0.647  -0.024  0.00  0.00    +0.116 A 
ATOM     25  N   LIG    1        8.025  -0.270   0.400  0.00  0.00    -0.274 N 
ATOM     26  C   LIG    1        9.427  -0.041   0.655  0.00  0.00    +0.172 C 
ATOM     27  N   LIG    1        7.510  -1.497   0.589  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1        6.223  -1.346   0.268  0.00  0.00    +0.142 A 
ENDBRANCH  19  23
ENDBRANCH   4  17
TORSDOF 4