REMARK  Name = BDB048509
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.362   0.134  -1.224  0.00  0.00    -0.019 A 
ATOM      2  C   LIG    1       -2.172  -0.287  -0.114  0.00  0.00    +0.003 A 
ATOM      3  C   LIG    1       -3.476  -0.449  -0.585  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -4.537  -0.859   0.232  0.00  0.00    +0.026 A 
ATOM      5  C   LIG    1       -4.262  -1.112   1.577  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -2.975  -0.959   2.083  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -3.467  -0.137  -1.923  0.00  0.00    -0.360 N 
ATOM      8  H   LIG    1       -4.279  -0.164  -2.523  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1       -1.926  -0.549   1.251  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -2.206   0.213  -2.318  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1        4.662  -0.458   1.193  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1        3.995   0.753   0.592  0.00  0.00    +0.212 C 
ATOM     13  N   LIG    1        2.677   0.616   0.177  0.00  0.00    -0.302 N 
ATOM     14  C   LIG    1        1.999   1.809  -0.322  0.00  0.00    +0.108 C 
ATOM     15  C   LIG    1        0.486   1.645  -0.386  0.00  0.00    +0.027 C 
ATOM     16  C   LIG    1        0.117   0.437  -1.255  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1        0.988  -0.799  -0.961  0.00  0.00    +0.027 C 
ATOM     18  C   LIG    1        1.905  -0.624   0.246  0.00  0.00    +0.108 C 
ATOM     19  O   LIG    1        4.616   1.811   0.481  0.00  0.00    -0.276 OA
ENDBRANCH   1  16
TORSDOF 1