REMARK  Name = BDB028564
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.851   0.077  -0.066  0.00  0.00    +0.266 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        0.443  -0.283   0.465  0.00  0.00    -0.448 OA
BRANCH   2   4
ATOM      3  O   LIG    1        1.385   0.306  -1.531  0.00  0.00    -0.226 OA
ATOM      4  C   LIG    1        1.487  -0.137  -0.395  0.00  0.00    +0.403 C 
ATOM      5  N   LIG    1        2.670  -0.527   0.171  0.00  0.00    -0.267 N 
ATOM      6  C   LIG    1        3.934  -0.436  -0.536  0.00  0.00    +0.119 C 
ATOM      7  C   LIG    1        4.991  -0.691   0.546  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        4.254  -1.625   1.518  0.00  0.00    +0.029 C 
ATOM      9  C   LIG    1        2.834  -1.075   1.505  0.00  0.00    +0.112 C 
BRANCH   7  10
ATOM     10  C   LIG    1        6.309  -1.222   0.040  0.00  0.00    -0.043 A 
ATOM     11  C   LIG    1        6.399  -2.426  -0.676  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        7.632  -2.894  -1.134  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        8.793  -2.166  -0.884  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        8.721  -0.970  -0.175  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        7.488  -0.501   0.284  0.00  0.00    +0.004 A 
ENDBRANCH   7  10
ENDBRANCH   2   4
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1       -1.053   1.593   0.041  0.00  0.00    +0.166 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -1.001   2.003   1.417  0.00  0.00    -0.387 OA
ATOM     18  H   LIG    1       -0.239   1.536   1.807  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1       -2.360   2.074  -0.628  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -3.574   1.276  -0.348  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1       -4.654   1.690  -1.270  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1       -5.992   1.046  -0.980  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1       -6.275   0.512   0.288  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1       -7.533  -0.050   0.544  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -8.515  -0.058  -0.445  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -8.246   0.488  -1.698  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -5.202   0.486   1.345  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1       -6.992   1.040  -1.964  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -4.038   1.441   1.041  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 7