REMARK  Name = BDB013749
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.431  -2.175   0.207  0.00  0.00    +0.106 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.687  -1.213  -0.206  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1        0.988  -0.116   0.625  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1        2.012   0.780   0.306  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        2.768   0.586  -0.848  0.00  0.00    +0.130 A 
ATOM      6  C   LIG    1        2.478  -0.482  -1.693  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        1.455  -1.378  -1.369  0.00  0.00    +0.009 A 
BRANCH   5   8
ATOM      8  O   LIG    1        3.770   1.439  -1.253  0.00  0.00    -0.438 OA
BRANCH   8   9
ATOM      9  C   LIG    1        4.593   1.928  -0.260  0.00  0.00    +0.220 A 
ATOM     10  N   LIG    1        4.558   3.266  -0.073  0.00  0.00    -0.221 NA
ATOM     11  C   LIG    1        5.388   3.765   0.867  0.00  0.00    +0.114 A 
ATOM     12  C   LIG    1        6.259   2.991   1.619  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        6.287   1.619   1.392  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1        5.444   1.073   0.429  0.00  0.00    +0.067 A 
ENDBRANCH   8   9
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  N   LIG    1        0.039  -3.518   0.674  0.00  0.00    -0.300 NA
ATOM     16  C   LIG    1        0.946  -3.430   1.820  0.00  0.00    +0.105 C 
ATOM     17  C   LIG    1        0.591  -4.395  -0.349  0.00  0.00    +0.105 C 
ENDBRANCH   1  15
BRANCH   1  19
ATOM     18  C   LIG    1       -1.526  -2.140  -2.238  0.00  0.00    +0.030 C 
ATOM     19  C   LIG    1       -1.710  -2.272  -0.728  0.00  0.00    +0.090 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -2.824  -1.424  -0.252  0.00  0.00    -0.323 N 
ATOM     21  H   LIG    1       -3.291  -1.845   0.542  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.849  -0.041  -0.300  0.00  0.00    +0.147 A 
ATOM     23  C   LIG    1       -3.984   0.679   0.344  0.00  0.00    +0.029 A 
ATOM     24  C   LIG    1       -3.936   2.067   0.386  0.00  0.00    +0.051 A 
ATOM     25  C   LIG    1       -4.965   2.796   1.000  0.00  0.00    +0.014 A 
ATOM     26  C   LIG    1       -6.053   2.129   1.562  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -6.119   0.739   1.500  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -2.810   2.773  -0.246  0.00  0.00    +0.275 A 
ATOM     29  O   LIG    1       -2.747   3.998  -0.173  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -1.886   1.979  -0.909  0.00  0.00    -0.230 N 
ATOM     31  C   LIG    1       -0.740   2.602  -1.543  0.00  0.00    +0.176 C 
ATOM     32  C   LIG    1       -5.091   0.013   0.890  0.00  0.00    +0.012 A 
ATOM     33  N   LIG    1       -1.893   0.612  -0.893  0.00  0.00    -0.153 NA
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 7