REMARK  Name = BDB028527
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.954   1.200   2.793  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -1.514   1.512   1.691  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1       -2.323   1.850   0.612  0.00  0.00    -0.285 N 
ATOM      4  C   LIG    1       -3.771   1.860   0.822  0.00  0.00    +0.117 C 
ATOM      5  C   LIG    1       -4.579   1.468  -0.438  0.00  0.00    +0.036 C 
ATOM      6  C   LIG    1       -3.933   1.973  -1.744  0.00  0.00    +0.011 C 
ATOM      7  C   LIG    1       -2.915   3.075  -1.483  0.00  0.00    +0.020 C 
ATOM      8  C   LIG    1       -1.813   2.564  -0.559  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1       -0.168   1.549   1.417  0.00  0.00    -0.297 N 
ATOM     10  H   LIG    1        0.050   1.211   0.493  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -4.900  -0.017  -0.561  0.00  0.00    -0.043 A 
ATOM     12  C   LIG    1       -4.005  -1.016  -0.143  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -4.327  -2.366  -0.292  0.00  0.00    +0.038 A 
ATOM     14  C   LIG    1       -5.538  -2.725  -0.868  0.00  0.00    +0.123 A 
ATOM     15  F   LIG    1       -5.844  -4.021  -1.012  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1       -6.436  -1.758  -1.299  0.00  0.00    +0.038 A 
ATOM     17  C   LIG    1       -6.117  -0.407  -1.149  0.00  0.00    +0.007 A 
ENDBRANCH   5  11
BRANCH   9  18
ATOM     18  C   LIG    1        0.783   1.159   2.447  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.250   1.485   2.113  0.00  0.00    +0.146 C 
BRANCH  19  20
ATOM     20  O   LIG    1        2.433   2.909   2.113  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1        3.386   3.083   2.040  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        2.740   0.918   0.759  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1        2.544  -0.527   0.563  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        2.818  -0.927  -0.833  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        4.200  -1.484  -1.074  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        4.706  -2.402  -0.138  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        5.936  -3.024  -0.355  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        6.671  -2.717  -1.500  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.176  -1.799  -2.428  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        3.855  -2.667   1.074  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        4.938  -1.188  -2.222  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        3.284  -1.327   1.569  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   9  18
TORSDOF 6