REMARK  Name = BDB064947
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.299   1.510   0.386  0.00  0.00    -0.012 A 
ATOM      2  C   LIG    1        0.297   0.528   0.494  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -1.074   0.839   0.661  0.00  0.00    -0.033 A 
ATOM      4  C   LIG    1       -1.393   2.209   0.722  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.415   3.202   0.626  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.922   2.853   0.459  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.450  -0.143  -0.971  0.00  0.00    +0.137 A 
ATOM      8  C   LIG    1        3.074   0.252  -0.753  0.00  0.00    +0.061 A 
ATOM      9  C   LIG    1        2.715   1.132   0.204  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1        3.809   1.728   1.052  0.00  0.00    +0.257 A 
ATOM     11  O   LIG    1        3.599   2.549   1.939  0.00  0.00    -0.267 OA
ATOM     12  N   LIG    1        5.089   1.300   0.779  0.00  0.00    -0.325 N 
ATOM     13  H   LIG    1        5.813   1.702   1.361  0.00  0.00    +0.168 HD
ATOM     14  C   LIG    1        5.410   0.392  -0.198  0.00  0.00    +0.131 A 
BRANCH   7  16
ATOM     15  C   LIG    1        5.910  -1.522  -2.260  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1        4.596  -1.053  -1.986  0.00  0.00    -0.494 OA
ENDBRANCH   7  16
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1       -2.173  -0.333   0.761  0.00  0.00    +0.056 C 
ATOM     18  C   LIG    1       -1.982  -1.329   1.960  0.00  0.00    +0.022 C 
ATOM     19  C   LIG    1       -3.496  -1.276   2.247  0.00  0.00    -0.012 C 
ATOM     20  C   LIG    1       -4.325  -2.470   1.802  0.00  0.00    +0.007 C 
ATOM     21  C   LIG    1       -3.581  -0.012   1.367  0.00  0.00    +0.022 C 
BRANCH  17  22
ATOM     22  C   LIG    1       -2.273  -1.067  -0.646  0.00  0.00    +0.144 A 
ATOM     23  N   LIG    1       -2.653  -0.527  -1.845  0.00  0.00    -0.320 N 
ATOM     24  C   LIG    1       -3.046   0.826  -2.127  0.00  0.00    +0.151 C 
ATOM     25  C   LIG    1       -2.559  -1.532  -2.758  0.00  0.00    +0.224 A 
ATOM     26  N   LIG    1       -2.141  -2.625  -2.166  0.00  0.00    -0.138 NA
ATOM     27  N   LIG    1       -1.950  -2.331  -0.838  0.00  0.00    -0.134 NA
ENDBRANCH  17  22
ENDBRANCH   3  17
TORSDOF 4