REMARK  Name = BDB054094
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.397  -2.441   0.560  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.611  -1.337   0.328  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -1.022  -0.587  -0.229  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.930  -3.515   0.939  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.833  -1.372   0.499  0.00  0.00    +0.087 C 
ATOM      6  C   LIG    1        1.382  -0.017   1.004  0.00  0.00    +0.106 C 
ATOM      7  N   LIG    1        2.824   0.232   0.782  0.00  0.00    -0.300 NA
ATOM      8  C   LIG    1        3.541  -1.038   0.605  0.00  0.00    +0.084 C 
ATOM      9  C   LIG    1        3.052  -1.872  -0.584  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        1.534  -1.799  -0.787  0.00  0.00    +0.025 C 
BRANCH   7  11
ATOM     11  C   LIG    1        3.046   1.221  -0.296  0.00  0.00    +0.089 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.500   1.707  -0.494  0.00  0.00    +0.050 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.993   2.731   0.501  0.00  0.00    -0.043 A 
ATOM     14  C   LIG    1        5.606   3.903   0.050  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        6.095   4.810   0.982  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1        6.016   4.633   2.316  0.00  0.00    -0.263 NA
ATOM     17  C   LIG    1        5.426   3.494   2.735  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1        4.915   2.526   1.881  0.00  0.00    +0.023 A 
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   1  19
ATOM     19  C   LIG    1       -2.902  -2.294   0.219  0.00  0.00    +0.164 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -3.264   0.199  -0.189  0.00  0.00    +0.230 C 
ATOM     21  N   LIG    1       -3.451  -0.960   0.522  0.00  0.00    -0.302 N 
ATOM     22  H   LIG    1       -3.825  -0.844   1.456  0.00  0.00    +0.150 HD
ATOM     23  O   LIG    1       -2.483   0.285  -1.131  0.00  0.00    -0.274 OA
BRANCH  20  24
ATOM     24  C   LIG    1       -4.086   1.388   0.354  0.00  0.00    +0.137 C 
ATOM     25  C   LIG    1       -4.511   2.347  -0.764  0.00  0.00    +0.034 C 
BRANCH  24  27
ATOM     26  C   LIG    1       -2.148   2.725   1.080  0.00  0.00    +0.101 C 
ATOM     27  N   LIG    1       -3.368   2.030   1.482  0.00  0.00    -0.309 NA
ATOM     28  H   LIG    1       -3.985   2.721   1.906  0.00  0.00    +0.122 HD
ENDBRANCH  24  27
ENDBRANCH  20  24
ENDBRANCH  19  21
BRANCH  19  29
ATOM     29  C   LIG    1       -3.317  -2.938  -1.155  0.00  0.00    -0.011 C 
ATOM     30  C   LIG    1       -4.790  -2.625  -1.487  0.00  0.00    +0.013 C 
ATOM     31  C   LIG    1       -3.207  -4.479  -1.034  0.00  0.00    +0.013 C 
ATOM     32  C   LIG    1       -2.443  -2.511  -2.346  0.00  0.00    +0.013 C 
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 9