REMARK  Name = BDB063071
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.944  -0.785   0.501  0.00  0.00    -0.038 A 
ATOM      2  C   LIG    1       -0.212  -0.385  -0.196  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1       -1.494  -0.479   0.377  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -1.576  -0.993   1.684  0.00  0.00    +0.050 A 
ATOM      5  N   LIG    1       -2.822  -1.123   2.308  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1       -2.885  -1.490   3.247  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -4.017  -0.779   1.728  0.00  0.00    +0.257 A 
ATOM      8  C   LIG    1       -3.976  -0.224   0.351  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1       -5.186   0.142  -0.258  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -5.187   0.671  -1.544  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -3.982   0.834  -2.219  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -2.775   0.467  -1.610  0.00  0.00    +0.009 A 
ATOM     13  O   LIG    1       -5.075  -0.928   2.331  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1       -0.437  -1.383   2.393  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1       -2.740  -0.073  -0.311  0.00  0.00    -0.004 A 
ATOM     16  C   LIG    1        0.820  -1.276   1.804  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1  17
ATOM     17  C   LIG    1        2.307  -0.666  -0.148  0.00  0.00    +0.131 C 
BRANCH  17  20
ATOM     18  C   LIG    1        4.834   2.180  -0.542  0.00  0.00    +0.131 C 
ATOM     19  N   LIG    1        4.179   0.888  -0.672  0.00  0.00    -0.307 N 
ATOM     20  C   LIG    1        2.908   0.737  -0.110  0.00  0.00    +0.219 C 
ATOM     21  O   LIG    1        2.303   1.691   0.380  0.00  0.00    -0.275 OA
ATOM     22  C   LIG    1        5.034  -0.222  -1.065  0.00  0.00    +0.131 C 
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 2