REMARK  Name = BDB016675
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.007   0.414  -2.252  0.00  0.00    +0.093 A 
ATOM      2  C   LIG    1       -1.167   0.897  -1.596  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -2.167   0.834  -2.557  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1       -3.491   1.220  -2.313  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1       -3.835   1.683  -1.029  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1       -2.822   1.768  -0.058  0.00  0.00    +0.005 A 
ATOM      7  N   LIG    1       -1.556   0.349  -3.678  0.00  0.00    -0.276 N 
ATOM      8  H   LIG    1       -1.976   0.176  -4.584  0.00  0.00    +0.189 HD
ATOM      9  C   LIG    1       -1.498   1.378  -0.316  0.00  0.00    +0.012 A 
ATOM     10  N   LIG    1       -0.251   0.077  -3.525  0.00  0.00    -0.173 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -5.246   2.119  -0.706  0.00  0.00    +0.040 C 
ATOM     12  C   LIG    1       -6.097   1.405   0.325  0.00  0.00    +0.081 C 
ATOM     13  C   LIG    1       -5.683   0.213   1.141  0.00  0.00    -0.011 A 
ATOM     14  C   LIG    1       -6.239   0.359   2.423  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1       -6.065  -0.558   3.439  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -5.295  -1.685   3.153  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -4.732  -1.864   1.877  0.00  0.00    +0.000 A 
ATOM     18  N   LIG    1       -6.980   1.542   2.478  0.00  0.00    -0.284 N 
ATOM     19  H   LIG    1       -7.493   1.876   3.278  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1       -4.928  -0.917   0.865  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -6.957   2.214   1.269  0.00  0.00    +0.228 C 
ATOM     22  O   LIG    1       -7.515   3.263   0.992  0.00  0.00    -0.274 OA
ATOM     23  C   LIG    1       -6.436   1.283  -1.133  0.00  0.00    +0.031 C 
ENDBRANCH   5  11
BRANCH   1  25
ATOM     24  C   LIG    1        2.401  -0.166  -2.249  0.00  0.00    +0.010 C 
ATOM     25  C   LIG    1        1.299   0.301  -1.637  0.00  0.00    +0.031 C 
BRANCH  24  29
ATOM     26  C   LIG    1        6.277  -0.564  -0.443  0.00  0.00    -0.033 A 
ATOM     27  C   LIG    1        5.771  -1.546  -1.306  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        4.505  -1.406  -1.882  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1        3.714  -0.286  -1.603  0.00  0.00    -0.025 A 
ATOM     30  C   LIG    1        4.225   0.707  -0.759  0.00  0.00    +0.008 A 
ATOM     31  C   LIG    1        5.492   0.568  -0.183  0.00  0.00    +0.005 A 
BRANCH  26  32
ATOM     32  C   LIG    1        7.649  -0.713   0.180  0.00  0.00    +0.119 C 
BRANCH  32  34
ATOM     33  C   LIG    1        7.306  -2.791   1.426  0.00  0.00    +0.104 C 
ATOM     34  N   LIG    1        7.721  -1.394   1.482  0.00  0.00    -0.304 NA
ATOM     35  C   LIG    1        7.028  -0.679   2.547  0.00  0.00    +0.104 C 
ENDBRANCH  32  34
ENDBRANCH  26  32
ENDBRANCH  24  29
ENDBRANCH   1  25
TORSDOF 5