REMARK  Name = BDB049926
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.637  -1.032  -0.292  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1       -2.221   0.171   0.032  0.00  0.00    -0.340 N 
ATOM      3  H   LIG    1       -1.720   1.017   0.277  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -3.583   0.032  -0.044  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1       -3.768  -1.293  -0.411  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1       -5.071  -1.785  -0.570  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -6.150  -0.921  -0.343  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -5.937   0.412   0.025  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -4.637   0.929   0.172  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1       -2.563  -1.935  -0.564  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -4.340   2.332   0.552  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1       -3.216   2.674   0.906  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1       -5.349   3.249   0.460  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -5.084   4.214   0.611  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -6.191   3.080  -0.070  0.00  0.00    +0.145 HD
ENDBRANCH   9  11
BRANCH   1  17
ATOM     16  C   LIG    1        0.239  -2.297  -1.319  0.00  0.00    +0.035 C 
ATOM     17  C   LIG    1       -0.126  -1.217  -0.279  0.00  0.00    +0.072 C 
ATOM     18  C   LIG    1        0.265  -1.707   1.129  0.00  0.00    +0.035 C 
BRANCH  17  19
ATOM     19  N   LIG    1        0.479   0.076  -0.666  0.00  0.00    -0.304 NA
ATOM     20  H   LIG    1        0.465   0.165  -1.682  0.00  0.00    +0.123 HD
BRANCH  19  21
ATOM     21  C   LIG    1        1.794   0.442  -0.142  0.00  0.00    +0.086 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.981  -0.326  -0.738  0.00  0.00    +0.050 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.301   0.252  -0.286  0.00  0.00    -0.046 A 
ATOM     24  C   LIG    1        4.876  -0.154   0.926  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1        6.087   0.394   1.353  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.731   1.354   0.575  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.166   1.768  -0.630  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        4.955   1.222  -1.058  0.00  0.00    +0.003 A 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 6