REMARK  Name = BDB028001
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.335   1.264  -0.334  0.00  0.00    -0.317 N 
ATOM      2  H   LIG    1       -0.434   2.113   0.230  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.371   0.286   0.035  0.00  0.00    +0.159 C 
ATOM      4  C   LIG    1       -2.604   1.048   0.551  0.00  0.00    +0.240 C 
ATOM      5  O   LIG    1       -2.520   2.151   1.094  0.00  0.00    -0.273 OA
ATOM      6  N   LIG    1       -3.819   0.423   0.412  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1       -4.622   0.930   0.757  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1       -4.088  -0.735  -0.271  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -5.237  -1.151  -0.382  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -2.899  -1.488  -0.818  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1       -1.770  -0.539  -1.187  0.00  0.00    +0.041 C 
ENDBRANCH   1   3
BRANCH   1  16
ATOM     12  C   LIG    1        5.021  -0.425  -0.150  0.00  0.00    +0.067 C 
ATOM     13  C   LIG    1        3.598   0.034  -0.194  0.00  0.00    +0.056 A 
ATOM     14  N   LIG    1        3.355   1.337  -0.457  0.00  0.00    -0.255 NA
ATOM     15  C   LIG    1        2.045   1.689  -0.488  0.00  0.00    +0.154 A 
ATOM     16  C   LIG    1        0.988   0.804  -0.249  0.00  0.00    +0.138 A 
ATOM     17  N   LIG    1        1.248  -0.496  -0.001  0.00  0.00    -0.237 NA
ATOM     18  C   LIG    1        2.555  -0.858   0.026  0.00  0.00    +0.136 A 
ENDBRANCH   1  16
TORSDOF 2