REMARK  Name = BDB036997
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.396  -1.001  -1.166  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1       -0.028  -0.764  -1.314  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1        0.952  -0.081  -0.447  0.00  0.00    +0.256 C 
ATOM      4  N   LIG    1        2.161  -0.131  -1.093  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1        2.080  -0.847  -2.252  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1        2.963  -1.123  -3.042  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1        0.731   0.420   0.640  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1        0.684  -1.240  -2.407  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1        0.103  -1.971  -3.423  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -1.259  -2.226  -3.312  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -1.991  -1.752  -2.203  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1        3.427   0.310  -0.528  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1        3.873  -0.679   0.554  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1        3.521  -1.857   0.594  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1        4.781  -0.194   1.469  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1        5.089  -0.849   2.174  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        5.253   1.090   1.592  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1        6.051   1.390   2.475  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        4.793   2.083   0.549  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1        3.409   1.732   0.025  0.00  0.00    +0.041 C 
ENDBRANCH   4  12
BRANCH   1  24
ATOM     21  C   LIG    1       -3.875   0.606   1.947  0.00  0.00    +0.054 C 
ATOM     22  C   LIG    1       -3.664  -0.905   1.796  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -3.297  -1.306   0.369  0.00  0.00    +0.106 C 
ATOM     24  N   LIG    1       -2.122  -0.537  -0.067  0.00  0.00    -0.329 N 
ATOM     25  C   LIG    1       -2.321   0.922  -0.050  0.00  0.00    +0.106 C 
ATOM     26  C   LIG    1       -2.683   1.376   1.363  0.00  0.00    +0.037 C 
BRANCH  21  27
ATOM     27  N   LIG    1       -5.149   1.023   1.347  0.00  0.00    -0.327 NA
ATOM     28  H   LIG    1       -5.299   2.016   1.528  0.00  0.00    +0.118 HD
ATOM     29  H   LIG    1       -5.124   0.921   0.335  0.00  0.00    +0.118 HD
ENDBRANCH  21  27
ENDBRANCH   1  24
TORSDOF 3