REMARK  Name = BDB007657
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.073   0.437  -0.701  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.452  -0.366   0.143  0.00  0.00    +0.246 C 
ATOM      3  N   LIG    1       -0.387  -0.921   1.094  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1        0.043  -1.272   1.942  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.879  -0.755   0.206  0.00  0.00    +0.058 A 
ATOM      6  C   LIG    1        2.857   0.117  -0.280  0.00  0.00    +0.061 A 
ATOM      7  C   LIG    1        4.203  -0.243  -0.230  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        4.512  -1.483   0.315  0.00  0.00    +0.156 A 
ATOM      9  N   LIG    1        3.590  -2.362   0.784  0.00  0.00    -0.259 NA
ATOM     10  C   LIG    1        2.293  -1.981   0.706  0.00  0.00    +0.124 A 
BRANCH   7  11
ATOM     11  O   LIG    1        5.069   0.688  -0.720  0.00  0.00    -0.487 OA
BRANCH  11  12
ATOM     12  C   LIG    1        6.459   0.361  -0.827  0.00  0.00    +0.178 C 
ATOM     13  C   LIG    1        7.039   1.210  -1.962  0.00  0.00    +0.072 C 
ATOM     14  C   LIG    1        8.547   1.043  -2.029  0.00  0.00    +0.163 C 
ATOM     15  O   LIG    1        9.147   1.378  -0.778  0.00  0.00    -0.380 OA
ATOM     16  C   LIG    1        8.691   0.547   0.288  0.00  0.00    +0.163 C 
ATOM     17  C   LIG    1        7.189   0.689   0.476  0.00  0.00    +0.072 C 
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  18
ATOM     18  C   LIG    1       -1.765  -0.443   1.203  0.00  0.00    +0.137 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.616  -1.407   2.033  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -2.707  -2.677   1.371  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1       -1.906  -2.771   0.824  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -4.022  -0.876   2.417  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -5.011  -0.484   1.403  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -4.843   0.876   0.881  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -5.877   1.260  -0.159  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -6.628   0.279  -0.830  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -7.557   0.660  -1.808  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -7.721   2.005  -2.138  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -6.964   2.978  -1.489  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.482  -1.173  -0.450  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -6.045   2.608  -0.506  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -5.187  -1.457   0.324  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 8