REMARK  Name = BDB062867
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.453   0.654  -0.361  0.00  0.00    -0.308 N 
ATOM      2  H   LIG    1       -1.536   0.883   0.625  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -0.260   0.975  -0.966  0.00  0.00    +0.245 C 
ATOM      4  O   LIG    1        0.047   0.673  -2.112  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.651   1.788  -0.139  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1        1.930   1.364   0.198  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        2.698   0.154  -0.068  0.00  0.00    -0.006 A 
ATOM      8  C   LIG    1        3.951   0.257   0.565  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        4.004   1.557   1.256  0.00  0.00    +0.194 C 
ATOM     10  O   LIG    1        4.922   1.995   1.917  0.00  0.00    -0.287 OA
ATOM     11  C   LIG    1        4.923  -0.726   0.520  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        4.625  -1.878  -0.202  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        3.383  -2.012  -0.847  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        2.415  -0.998  -0.783  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        2.710   2.219   1.000  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1        2.290   3.454   1.466  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        1.008   3.866   1.113  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        0.193   3.042   0.319  0.00  0.00    +0.014 A 
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  C   LIG    1       -2.377  -0.395  -0.814  0.00  0.00    +0.078 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.567  -0.485  -2.339  0.00  0.00    +0.034 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.920   0.848  -2.996  0.00  0.00    +0.122 C 
BRANCH  21  23
ATOM     22  O   LIG    1       -3.122   0.942  -5.393  0.00  0.00    -0.251 OA
ATOM     23  C   LIG    1       -2.399   0.910  -4.408  0.00  0.00    +0.305 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -1.051   0.947  -4.493  0.00  0.00    -0.481 OA
ATOM     25  H   LIG    1       -0.586   0.885  -3.620  0.00  0.00    +0.295 HD
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  19  20
BRANCH  19  26
ATOM     26  C   LIG    1       -1.947  -1.776  -0.264  0.00  0.00    +0.057 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -1.870  -1.809   1.247  0.00  0.00    -0.046 A 
ATOM     28  C   LIG    1       -0.626  -1.805   1.895  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -0.555  -1.801   3.288  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -1.723  -1.806   4.047  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -2.964  -1.817   3.413  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -3.039  -1.819   2.020  0.00  0.00    +0.004 A 
ENDBRANCH  26  27
ENDBRANCH  19  26
ENDBRANCH   1  19
TORSDOF 8