REMARK  Name = BDB054496
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.652  -3.731   0.678  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -1.556  -2.698   0.082  0.00  0.00    +0.062 A 
ATOM      3  C   LIG    1       -1.393  -1.295   0.128  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1       -2.361  -0.441  -0.416  0.00  0.00    +0.011 A 
ATOM      5  C   LIG    1       -1.961   0.907  -0.171  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -0.749   0.868   0.516  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1       -0.104   2.049   0.934  0.00  0.00    +0.071 A 
ATOM      8  C   LIG    1       -0.705   3.269   0.623  0.00  0.00    +0.119 A 
ATOM      9  C   LIG    1       -1.903   3.335  -0.068  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -2.543   2.159  -0.468  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -3.488  -0.989  -1.046  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -3.576  -2.363  -1.080  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1       -0.392  -0.469   0.631  0.00  0.00    -0.338 N 
ATOM     14  N   LIG    1       -2.664  -3.192  -0.542  0.00  0.00    -0.258 NA
ENDROOT
BRANCH   8  15
ATOM     15  O   LIG    1       -0.126   4.450   0.990  0.00  0.00    -0.507 OA
ATOM     16  H   LIG    1        0.700   4.260   1.464  0.00  0.00    +0.292 HD
ENDBRANCH   8  15
BRANCH  13  17
ATOM     17  C   LIG    1        0.883  -0.912   1.182  0.00  0.00    +0.122 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.931  -1.250   0.113  0.00  0.00    +0.023 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.513  -0.044  -0.635  0.00  0.00    +0.017 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.444   0.803   0.233  0.00  0.00    +0.078 C 
BRANCH  20  21
ATOM     21  N   LIG    1        3.911   1.977  -0.494  0.00  0.00    -0.330 NA
ATOM     22  H   LIG    1        3.112   2.499  -0.858  0.00  0.00    +0.118 HD
ATOM     23  H   LIG    1        4.436   1.682  -1.318  0.00  0.00    +0.118 HD
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  13  17
TORSDOF 6