REMARK  Name = BDB065074
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.257  -0.719   0.609  0.00  0.00    +0.169 A 
ATOM      2  N   LIG    1       -1.493   0.281   1.079  0.00  0.00    -0.209 NA
ATOM      3  C   LIG    1       -1.082   0.190   2.359  0.00  0.00    +0.148 A 
ATOM      4  C   LIG    1       -1.476  -0.847   3.192  0.00  0.00    +0.036 A 
ATOM      5  C   LIG    1       -1.034  -0.912   4.575  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -0.214   0.037   5.037  0.00  0.00    +0.071 A 
ATOM      7  C   LIG    1        0.260   1.150   4.175  0.00  0.00    +0.253 A 
ATOM      8  O   LIG    1        1.034   1.970   4.663  0.00  0.00    -0.268 OA
ATOM      9  C   LIG    1       -2.300  -1.794   2.621  0.00  0.00    +0.124 A 
ATOM     10  N   LIG    1       -0.209   1.186   2.875  0.00  0.00    -0.288 N 
ATOM     11  N   LIG    1       -2.704  -1.758   1.337  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1       -1.764  -1.115  -1.786  0.00  0.00    +0.229 A 
ATOM     13  C   LIG    1       -2.621  -0.667  -0.791  0.00  0.00    +0.102 A 
ATOM     14  C   LIG    1       -3.833  -0.139  -1.233  0.00  0.00    +0.062 A 
ATOM     15  N   LIG    1       -4.134  -0.077  -2.557  0.00  0.00    -0.239 NA
ATOM     16  C   LIG    1       -3.229  -0.553  -3.421  0.00  0.00    +0.225 A 
ATOM     17  N   LIG    1       -2.044  -1.076  -3.105  0.00  0.00    -0.201 NA
BRANCH  14  18
ATOM     18  C   LIG    1       -4.858   0.432  -0.267  0.00  0.00    +0.039 C 
ATOM     19  C   LIG    1       -5.718  -0.499   0.559  0.00  0.00    +0.010 C 
ATOM     20  C   LIG    1       -6.337   0.290  -0.553  0.00  0.00    +0.010 C 
ENDBRANCH  14  18
BRANCH  12  22
ATOM     21  C   LIG    1        0.345  -1.921  -2.459  0.00  0.00    +0.279 C 
ATOM     22  O   LIG    1       -0.552  -1.650  -1.386  0.00  0.00    -0.479 OA
ENDBRANCH  12  22
ENDBRANCH   1  13
BRANCH  10  23
ATOM     23  C   LIG    1        0.262   2.233   1.974  0.00  0.00    +0.162 C 
BRANCH  23  24
ATOM     24  C   LIG    1        1.362   1.765   1.045  0.00  0.00    -0.028 A 
ATOM     25  C   LIG    1        1.119   1.617  -0.325  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        2.123   1.153  -1.180  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1        3.402   0.820  -0.703  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        3.634   0.979   0.675  0.00  0.00    +0.010 A 
ATOM     29  C   LIG    1        2.633   1.448   1.536  0.00  0.00    +0.006 A 
BRANCH  27  30
ATOM     30  C   LIG    1        4.439   0.312  -1.626  0.00  0.00    +0.071 A 
ATOM     31  N   LIG    1        3.985  -0.423  -2.677  0.00  0.00    -0.255 NA
ATOM     32  C   LIG    1        4.895  -0.913  -3.547  0.00  0.00    +0.111 A 
ATOM     33  C   LIG    1        6.258  -0.707  -3.435  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1        6.716   0.051  -2.367  0.00  0.00    +0.004 A 
ATOM     35  C   LIG    1        5.800   0.567  -1.452  0.00  0.00    +0.028 A 
ENDBRANCH  27  30
ENDBRANCH  23  24
ENDBRANCH  10  23
TORSDOF 6