REMARK  Name = BDB020989
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.127  -1.357  -0.953  0.00  0.00    +0.011 A 
ATOM      2  C   LIG    1        1.427  -0.913  -0.580  0.00  0.00    +0.011 A 
ATOM      3  C   LIG    1        2.423  -1.867  -0.290  0.00  0.00    +0.072 A 
ATOM      4  N   LIG    1        3.670  -1.531   0.079  0.00  0.00    -0.245 NA
ATOM      5  C   LIG    1        4.010  -0.218   0.187  0.00  0.00    +0.092 A 
ATOM      6  C   LIG    1        3.111   0.802  -0.091  0.00  0.00    +0.078 A 
ATOM      7  C   LIG    1        2.113  -3.216  -0.383  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.846  -3.658  -0.760  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        1.813   0.442  -0.469  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1       -0.146  -2.729  -1.047  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  22
ATOM     11  C   LIG    1       -4.379  -2.014   4.275  0.00  0.00    +0.129 C 
ATOM     12  N   LIG    1       -3.816  -1.516   3.042  0.00  0.00    -0.302 N 
ATOM     13  H   LIG    1       -2.936  -1.033   3.142  0.00  0.00    +0.150 HD
ATOM     14  C   LIG    1       -4.648  -0.955   2.105  0.00  0.00    +0.302 C 
ATOM     15  N   LIG    1       -4.003  -0.491   0.963  0.00  0.00    -0.278 N 
ATOM     16  C   LIG    1       -2.753  -1.097   0.504  0.00  0.00    +0.164 C 
ATOM     17  C   LIG    1       -2.158  -0.331  -0.623  0.00  0.00    +0.064 A 
ATOM     18  N   LIG    1       -2.808   0.699  -1.269  0.00  0.00    -0.328 N 
ATOM     19  C   LIG    1       -1.965   1.212  -2.219  0.00  0.00    +0.114 A 
ATOM     20  N   LIG    1       -0.829   0.542  -2.231  0.00  0.00    -0.232 NA
ATOM     21  C   LIG    1       -4.132   1.139  -0.890  0.00  0.00    +0.142 C 
ATOM     22  C   LIG    1       -0.937  -0.417  -1.260  0.00  0.00    +0.094 A 
ATOM     23  C   LIG    1       -4.858   0.068  -0.085  0.00  0.00    +0.131 C 
ATOM     24  O   LIG    1       -5.861  -0.871   2.270  0.00  0.00    -0.253 OA
BRANCH  19  25
ATOM     25  C   LIG    1       -2.150   2.409  -3.204  0.00  0.00    +0.055 C 
ATOM     26  C   LIG    1       -3.156   3.506  -3.012  0.00  0.00    +0.012 C 
ATOM     27  C   LIG    1       -3.361   2.479  -4.092  0.00  0.00    +0.012 C 
ENDBRANCH  19  25
ENDBRANCH   1  22
BRANCH   5  28
ATOM     28  C   LIG    1        5.392  -0.023   0.596  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1        5.895   0.979   1.402  0.00  0.00    +0.118 A 
ATOM     30  N   LIG    1        7.234   0.736   1.527  0.00  0.00    -0.274 N 
ATOM     31  C   LIG    1        8.196   1.526   2.256  0.00  0.00    +0.172 C 
ATOM     32  N   LIG    1        7.638  -0.379   0.894  0.00  0.00    -0.179 NA
ATOM     33  C   LIG    1        6.514  -0.848   0.345  0.00  0.00    +0.144 A 
ENDBRANCH   5  28
BRANCH   6  34
ATOM     34  C   LIG    1        3.449   2.191  -0.038  0.00  0.00    +0.101 C 
ATOM     35  N   LIG    1        3.697   3.323   0.020  0.00  0.00    -0.191 NA
ENDBRANCH   6  34
TORSDOF 4