REMARK  Name = BDB046658
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.519   0.917   0.694  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1        4.203   0.432   0.817  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1        3.826  -0.206   1.994  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1        2.514  -0.549   1.793  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1        1.922  -1.011   2.466  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1        2.126  -0.135   0.539  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1        4.686  -0.394   3.079  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        5.989   0.094   2.944  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1        3.136   0.469  -0.064  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1        6.403   0.738   1.775  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        0.781  -0.324  -0.015  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1       -0.138  -1.229   0.533  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -1.414  -1.375  -0.023  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1       -1.801  -0.621  -1.139  0.00  0.00    -0.033 A 
ATOM     15  C   LIG    1       -0.883   0.276  -1.695  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        0.392   0.420  -1.139  0.00  0.00    +0.012 A 
BRANCH  14  17
ATOM     17  C   LIG    1       -3.181  -0.791  -1.740  0.00  0.00    +0.119 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -4.257  -0.505  -0.786  0.00  0.00    -0.298 NA
ATOM     19  C   LIG    1       -5.574  -0.818  -1.341  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -6.524  -0.124  -0.378  0.00  0.00    +0.017 C 
ATOM     21  C   LIG    1       -5.718   1.029   0.210  0.00  0.00    +0.017 C 
ATOM     22  C   LIG    1       -4.335   0.911  -0.415  0.00  0.00    +0.085 C 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   6  11
BRANCH   1  26
ATOM     23  N   LIG    1        5.110   1.746  -1.557  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1        4.162   1.385  -1.485  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1        5.411   2.200  -2.406  0.00  0.00    +0.145 HD
ATOM     26  C   LIG    1        5.997   1.604  -0.529  0.00  0.00    +0.244 C 
ATOM     27  O   LIG    1        7.143   2.028  -0.621  0.00  0.00    -0.270 OA
ENDBRANCH   1  26
TORSDOF 4