REMARK  Name = BDB028461
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.523   0.140   1.427  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -1.336  -0.038   0.227  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1       -2.345  -0.407  -0.646  0.00  0.00    -0.285 N 
ATOM      4  C   LIG    1       -3.689  -0.551  -0.076  0.00  0.00    +0.117 C 
ATOM      5  C   LIG    1       -4.759  -0.946  -1.113  0.00  0.00    +0.036 C 
ATOM      6  C   LIG    1       -4.540  -0.171  -2.422  0.00  0.00    +0.011 C 
ATOM      7  C   LIG    1       -3.126  -0.371  -2.983  0.00  0.00    +0.020 C 
ATOM      8  C   LIG    1       -2.146  -0.974  -1.978  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1       -0.101   0.114  -0.349  0.00  0.00    -0.297 N 
ATOM     10  H   LIG    1       -0.150   0.552  -1.257  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -6.169  -0.787  -0.572  0.00  0.00    -0.043 A 
ATOM     12  C   LIG    1       -6.976  -1.919  -0.387  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -8.275  -1.796   0.112  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -8.783  -0.540   0.434  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -7.993   0.593   0.258  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -6.695   0.471  -0.241  0.00  0.00    +0.004 A 
ENDBRANCH   5  11
BRANCH   9  17
ATOM     17  C   LIG    1        1.033   0.556   0.463  0.00  0.00    +0.138 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.543  -0.555   1.396  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  O   LIG    1        1.921  -1.705   0.624  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1        1.161  -1.866   0.034  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        2.711  -0.087   2.296  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1        3.823   0.622   1.621  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        4.553  -0.279   0.702  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        5.843   0.307   0.158  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        6.466   1.400   0.782  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1        7.668   1.906   0.268  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        8.262   1.313  -0.845  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        7.660   0.215  -1.454  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.808   2.060   1.965  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        6.457  -0.287  -0.955  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        4.759   1.157   2.625  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   9  17
TORSDOF 6