REMARK  Name = BDB041116
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.017   0.047   0.821  0.00  0.00    +0.163 A 
ATOM      2  N   LIG    1       -3.557  -0.741   1.774  0.00  0.00    -0.224 NA
ATOM      3  C   LIG    1       -2.635  -1.422   2.486  0.00  0.00    +0.115 A 
ATOM      4  C   LIG    1       -1.276  -1.311   2.260  0.00  0.00    +0.192 A 
ATOM      5  O   LIG    1       -0.584  -2.105   3.127  0.00  0.00    -0.458 OA
ATOM      6  C   LIG    1       -1.514  -2.728   3.904  0.00  0.00    +0.198 A 
ATOM      7  C   LIG    1       -0.776  -0.474   1.272  0.00  0.00    +0.166 A 
ATOM      8  C   LIG    1       -2.787  -2.340   3.549  0.00  0.00    +0.069 A 
ATOM      9  N   LIG    1       -1.696   0.218   0.558  0.00  0.00    -0.209 NA
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -5.052   0.314  -0.698  0.00  0.00    -0.034 A 
ATOM     11  C   LIG    1       -3.951   0.856   0.017  0.00  0.00    +0.023 A 
ATOM     12  C   LIG    1       -3.743   2.254  -0.034  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -4.601   3.101  -0.734  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -5.695   2.569  -1.402  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -5.918   1.193  -1.384  0.00  0.00    +0.004 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -5.523  -1.704  -2.184  0.00  0.00    +0.012 C 
ATOM     17  C   LIG    1       -5.325  -1.189  -0.752  0.00  0.00    +0.014 C 
ATOM     18  C   LIG    1       -6.526  -1.555   0.123  0.00  0.00    +0.012 C 
ENDBRANCH  10  17
ENDBRANCH   1  11
BRANCH   7  19
ATOM     19  N   LIG    1        0.588  -0.352   1.014  0.00  0.00    -0.322 N 
ATOM     20  H   LIG    1        1.149  -0.657   1.805  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1        0.995   0.906   0.419  0.00  0.00    +0.138 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.503   0.924   0.294  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        3.142   0.107  -0.652  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1        4.538   0.107  -0.775  0.00  0.00    -0.033 A 
ATOM     25  C   LIG    1        5.221  -0.797  -1.760  0.00  0.00    +0.055 C 
ATOM     26  C   LIG    1        6.548  -0.189  -2.200  0.00  0.00    +0.112 C 
ATOM     27  N   LIG    1        7.369   0.197  -1.061  0.00  0.00    -0.300 N 
ATOM     28  C   LIG    1        6.797   0.913  -0.007  0.00  0.00    +0.247 C 
ATOM     29  O   LIG    1        7.454   1.523   0.832  0.00  0.00    -0.270 OA
ATOM     30  C   LIG    1        8.799   0.316  -1.276  0.00  0.00    +0.132 C 
ATOM     31  C   LIG    1        5.305   0.916   0.077  0.00  0.00    +0.040 A 
ATOM     32  C   LIG    1        4.674   1.725   1.029  0.00  0.00    +0.013 A 
ATOM     33  C   LIG    1        3.281   1.730   1.136  0.00  0.00    +0.006 A 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   7  19
TORSDOF 5