REMARK  Name = BDB029547
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.607   1.135  -0.495  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.649   0.109   0.187  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        0.487  -0.456   0.704  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1        0.460  -1.796   1.270  0.00  0.00    +0.149 C 
ATOM      5  C   LIG    1        1.108  -2.783   0.313  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1        2.494  -2.940   0.588  0.00  0.00    -0.490 OA
ATOM      7  C   LIG    1        3.299  -1.839   0.637  0.00  0.00    +0.133 A 
ATOM      8  C   LIG    1        4.630  -2.197   0.906  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1        5.646  -1.242   0.995  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1        5.364   0.104   0.790  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1        4.032   0.465   0.558  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        2.987  -0.487   0.473  0.00  0.00    +0.080 A 
ENDROOT
BRANCH  10  13
ATOM     13  N   LIG    1        6.337   1.117   0.923  0.00  0.00    -0.337 N 
ATOM     14  H   LIG    1        6.075   1.947   0.388  0.00  0.00    +0.147 HD
BRANCH  13  15
ATOM     15  C   LIG    1        7.766   0.907   0.942  0.00  0.00    +0.122 C 
ATOM     16  C   LIG    1        8.388   0.792  -0.457  0.00  0.00    +0.184 C 
ATOM     17  O   LIG    1        8.892   2.152  -0.390  0.00  0.00    -0.376 OA
ATOM     18  C   LIG    1        8.561   2.219   1.020  0.00  0.00    +0.184 C 
ENDBRANCH  13  15
ENDBRANCH  10  13
BRANCH   3  19
ATOM     19  C   LIG    1       -0.798   0.142   0.314  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.289  -0.361  -1.054  0.00  0.00    +0.146 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -1.790  -1.706  -0.914  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -2.730  -1.586  -0.661  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -2.408   0.510  -1.665  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -3.685   0.328  -0.935  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -4.812   0.229  -1.890  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -6.167   0.168  -1.218  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -6.345   0.650   0.091  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -7.615   0.612   0.681  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -8.708   0.121  -0.032  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -8.540  -0.339  -1.336  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.159   1.148   0.875  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -7.277  -0.313  -1.928  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -3.949   1.454  -0.018  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 7