REMARK  Name = BDB002898
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.453   0.719   0.559  0.00  0.00    +0.066 A 
ATOM      2  C   LIG    1        0.586   0.370  -0.327  0.00  0.00    +0.127 A 
ATOM      3  C   LIG    1        1.923   0.621   0.068  0.00  0.00    +0.061 A 
ATOM      4  C   LIG    1        2.743   0.211  -0.922  0.00  0.00    +0.176 A 
ATOM      5  C   LIG    1        4.182   0.282  -0.932  0.00  0.00    +0.031 A 
ATOM      6  C   LIG    1        4.774   0.844   0.230  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        3.898   1.319   1.370  0.00  0.00    +0.195 C 
ATOM      8  O   LIG    1        4.363   1.810   2.389  0.00  0.00    -0.287 OA
ATOM      9  C   LIG    1        6.162   0.959   0.323  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        6.957   0.516  -0.736  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        6.372  -0.037  -1.881  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.983  -0.157  -1.984  0.00  0.00    +0.012 A 
ATOM     13  O   LIG    1        1.983  -0.288  -1.926  0.00  0.00    -0.353 OA
ATOM     14  C   LIG    1        2.433   1.173   1.219  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1        1.404   1.521   2.104  0.00  0.00    +0.013 A 
ATOM     16  N   LIG    1        0.626  -0.193  -1.560  0.00  0.00    -0.077 NA
ATOM     17  C   LIG    1        0.015   1.301   1.785  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   1  20
ATOM     18  N   LIG    1       -2.230  -0.021  -0.926  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1       -1.498  -0.312  -1.569  0.00  0.00    +0.149 HD
ATOM     20  C   LIG    1       -1.887   0.520   0.293  0.00  0.00    +0.246 C 
ATOM     21  O   LIG    1       -2.706   0.835   1.149  0.00  0.00    -0.270 OA
BRANCH  18  22
ATOM     22  C   LIG    1       -3.604  -0.335  -1.262  0.00  0.00    +0.107 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.988  -1.737  -0.793  0.00  0.00    +0.047 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.460  -2.042  -1.065  0.00  0.00    +0.161 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -6.444  -0.710   0.655  0.00  0.00    +0.193 C 
ATOM     26  O   LIG    1       -6.261  -2.012   0.116  0.00  0.00    -0.383 OA
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  18  22
ENDBRANCH   1  20
TORSDOF 5