REMARK  Name = BDB028260
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.903   2.721  -0.805  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -1.958   1.249  -0.992  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -3.197   0.632  -0.844  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -3.326  -0.751  -1.008  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -2.204  -1.521  -1.318  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1       -0.950  -0.915  -1.459  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -4.373   1.452  -0.515  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -5.482   0.949  -0.374  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -4.150   2.799  -0.375  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -4.951   3.382  -0.149  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -0.832   0.475  -1.303  0.00  0.00    +0.020 A 
ATOM     12  N   LIG    1       -2.954   3.433  -0.512  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.215  -1.724  -1.790  0.00  0.00    +0.073 A 
ATOM     14  N   LIG    1        1.331  -1.905  -0.986  0.00  0.00    -0.296 N 
ATOM     15  C   LIG    1        2.201  -2.735  -1.691  0.00  0.00    +0.138 A 
ATOM     16  C   LIG    1        3.440  -3.060  -1.072  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        3.721  -2.578   0.153  0.00  0.00    +0.051 A 
ATOM     18  C   LIG    1        2.788  -1.723   0.874  0.00  0.00    +0.137 A 
ATOM     19  N   LIG    1        1.698  -3.094  -2.851  0.00  0.00    -0.235 NA
ATOM     20  C   LIG    1        1.614  -1.411   0.290  0.00  0.00    +0.139 A 
ATOM     21  C   LIG    1        0.473  -2.487  -2.916  0.00  0.00    +0.139 A 
BRANCH  18  22
ATOM     22  O   LIG    1        3.235  -1.343   2.119  0.00  0.00    -0.487 OA
BRANCH  22  23
ATOM     23  C   LIG    1        2.427  -0.376   2.814  0.00  0.00    +0.174 C 
ATOM     24  C   LIG    1        2.628  -0.345   4.305  0.00  0.00    +0.048 C 
ATOM     25  C   LIG    1        1.364  -0.915   3.733  0.00  0.00    +0.048 C 
ENDBRANCH  22  23
ENDBRANCH  18  22
ENDBRANCH   6  13
BRANCH   1  26
ATOM     26  C   LIG    1       -0.551   3.425  -0.958  0.00  0.00    +0.136 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -0.677   4.867  -0.721  0.00  0.00    -0.325 NA
ATOM     28  H   LIG    1       -1.378   5.228  -1.373  0.00  0.00    +0.119 HD
ATOM     29  H   LIG    1       -1.127   4.994   0.189  0.00  0.00    +0.119 HD
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 5