REMARK  Name = BDB000980
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.935  -0.200   0.267  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1       -0.096   0.683   0.082  0.00  0.00    -0.340 N 
ATOM      3  H   LIG    1       -0.028   1.686  -0.042  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -1.271  -0.028   0.067  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1       -0.875  -1.346   0.238  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1       -1.848  -2.356   0.259  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -3.193  -1.998   0.096  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -3.566  -0.660  -0.075  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -2.607   0.368  -0.082  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1        0.489  -1.437   0.362  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        2.731   1.404   1.226  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1        2.458   0.211   0.322  0.00  0.00    +0.076 C 
ATOM     13  N   LIG    1        3.013   0.416  -1.045  0.00  0.00    -0.304 NA
ATOM     14  H   LIG    1        2.314   0.587  -1.766  0.00  0.00    +0.123 HD
ATOM     15  C   LIG    1        3.514  -0.976  -1.044  0.00  0.00    +0.084 C 
ATOM     16  C   LIG    1        3.448  -0.967   0.488  0.00  0.00    +0.045 C 
ENDBRANCH   1  12
BRANCH   9  17
ATOM     17  C   LIG    1       -2.922   1.808  -0.253  0.00  0.00    +0.244 C 
ATOM     18  O   LIG    1       -2.035   2.630  -0.455  0.00  0.00    -0.270 OA
ATOM     19  N   LIG    1       -4.226   2.200  -0.143  0.00  0.00    -0.325 N 
ATOM     20  H   LIG    1       -4.947   1.617   0.255  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1       -4.395   3.199  -0.157  0.00  0.00    +0.145 HD
ENDBRANCH   9  17
TORSDOF 2