REMARK  Name = BDB008933
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.276  -0.582   0.240  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -1.300   0.288   0.630  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -2.090  -0.011   1.749  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -1.818  -1.182   2.476  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.806  -2.057   2.071  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.040  -1.764   0.946  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -0.104  -0.099  -2.022  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        0.511  -0.261  -0.971  0.00  0.00    +0.247 C 
ATOM      9  N   LIG    1        1.898  -0.169  -0.868  0.00  0.00    -0.297 N 
ATOM     10  C   LIG    1        2.630  -0.064   0.397  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1        3.817   0.890   0.297  0.00  0.00    +0.027 C 
ATOM     12  C   LIG    1        4.779   0.540  -0.857  0.00  0.00    +0.022 C 
ATOM     13  C   LIG    1        4.121  -0.345  -1.929  0.00  0.00    +0.027 C 
ATOM     14  C   LIG    1        2.654   0.019  -2.103  0.00  0.00    +0.108 C 
BRANCH  12  15
ATOM     15  C   LIG    1        6.089  -0.057  -0.368  0.00  0.00    -0.044 A 
ATOM     16  C   LIG    1        7.298   0.606  -0.632  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        8.513   0.078  -0.191  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        8.537  -1.118   0.521  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        7.347  -1.789   0.790  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        6.131  -1.262   0.349  0.00  0.00    +0.004 A 
ENDBRANCH  12  15
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  C   LIG    1       -3.187   0.922   2.209  0.00  0.00    +0.092 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.048   1.486   1.083  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1       -4.991   0.586   0.346  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1       -5.132  -0.863   0.721  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1       -6.368  -1.529   0.107  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -6.526  -1.144  -1.358  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -6.660   0.372  -1.516  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1       -5.699   1.141  -0.653  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1       -5.548   2.586  -0.959  0.00  0.00    +0.268 A 
ATOM     30  O   LIG    1       -6.197   3.131  -1.846  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1       -4.652   3.272  -0.185  0.00  0.00    -0.243 N 
ATOM     32  H   LIG    1       -4.529   4.259  -0.383  0.00  0.00    +0.192 HD
ATOM     33  N   LIG    1       -3.902   2.751   0.822  0.00  0.00    -0.175 NA
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 4