REMARK  Name = BDB003889
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.347  -0.855  -0.254  0.00  0.00    -0.314 N 
ATOM      2  C   LIG    1       -2.270   0.286  -0.391  0.00  0.00    +0.122 C 
ATOM      3  C   LIG    1       -3.760  -0.131  -0.277  0.00  0.00    +0.063 C 
ATOM      4  C   LIG    1       -4.107  -0.461   1.188  0.00  0.00    +0.227 C 
ATOM      5  O   LIG    1       -3.295  -0.847   2.025  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -5.436  -0.465   1.517  0.00  0.00    -0.256 N 
ATOM      7  H   LIG    1       -5.498  -1.069   2.334  0.00  0.00    +0.157 HD
ATOM      8  C   LIG    1       -5.947   0.706   2.005  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -6.377   0.747   3.157  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -6.069   1.892   1.075  0.00  0.00    +0.096 C 
ATOM     11  C   LIG    1       -4.871   2.161   0.177  0.00  0.00    +0.010 C 
ATOM     12  C   LIG    1       -4.650   1.022  -0.816  0.00  0.00    +0.018 C 
ATOM     13  C   LIG    1       -4.037  -1.377  -1.158  0.00  0.00    +0.019 C 
ATOM     14  C   LIG    1       -3.006  -2.487  -0.964  0.00  0.00    +0.020 C 
ATOM     15  C   LIG    1       -1.590  -1.964  -1.178  0.00  0.00    +0.106 C 
ENDROOT
BRANCH   1  19
ATOM     16  C   LIG    1        2.678   0.297  -0.163  0.00  0.00    +0.077 A 
ATOM     17  C   LIG    1        1.671   1.112  -0.655  0.00  0.00    +0.127 A 
ATOM     18  N   LIG    1        0.359   0.763  -0.699  0.00  0.00    -0.240 NA
ATOM     19  C   LIG    1        0.005  -0.458  -0.239  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1        0.965  -1.331   0.282  0.00  0.00    +0.044 A 
ATOM     21  C   LIG    1        2.309  -0.956   0.319  0.00  0.00    +0.020 A 
BRANCH  16  22
ATOM     22  C   LIG    1        4.067   0.803  -0.173  0.00  0.00    +0.341 C 
ATOM     23  O   LIG    1        4.372   1.900  -0.611  0.00  0.00    -0.245 OA
BRANCH  22  24
ATOM     24  O   LIG    1        4.901  -0.120   0.359  0.00  0.00    -0.455 OA
BRANCH  24  26
ATOM     25  C   LIG    1        6.963   0.323  -0.914  0.00  0.00    +0.055 C 
ATOM     26  C   LIG    1        6.325   0.141   0.467  0.00  0.00    +0.106 C 
ATOM     27  C   LIG    1        6.905  -1.126   1.114  0.00  0.00    +0.055 C 
ATOM     28  C   LIG    1        6.603   1.333   1.389  0.00  0.00    +0.055 C 
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH  16  22
ENDBRANCH   1  19
TORSDOF 4