REMARK  Name = BDB050849
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.545   1.111  -0.128  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        1.601   0.259   0.150  0.00  0.00    -0.005 A 
ATOM      3  C   LIG    1        3.053   0.564   0.339  0.00  0.00    +0.039 C 
ATOM      4  C   LIG    1        3.558  -0.733   0.987  0.00  0.00    +0.011 C 
ATOM      5  C   LIG    1        2.659  -1.857   0.462  0.00  0.00    +0.056 C 
ATOM      6  C   LIG    1        1.377  -1.109   0.231  0.00  0.00    +0.047 A 
ATOM      7  N   LIG    1        0.185  -1.700   0.095  0.00  0.00    -0.256 NA
ATOM      8  C   LIG    1       -0.867  -0.864  -0.101  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1       -2.211  -1.543  -0.166  0.00  0.00    +0.056 C 
ATOM     10  C   LIG    1       -3.300  -0.673  -0.782  0.00  0.00    +0.006 C 
ATOM     11  C   LIG    1       -3.292   0.701  -0.130  0.00  0.00    +0.005 C 
ATOM     12  C   LIG    1       -1.964   1.409  -0.391  0.00  0.00    +0.039 C 
ATOM     13  C   LIG    1       -0.743   0.542  -0.181  0.00  0.00    -0.005 A 
ENDROOT
BRANCH   1  14
ATOM     14  N   LIG    1        0.743   2.499  -0.137  0.00  0.00    -0.357 N 
ATOM     15  H   LIG    1        1.687   2.775  -0.391  0.00  0.00    +0.142 HD
ATOM     16  H   LIG    1        0.048   3.014  -0.666  0.00  0.00    +0.142 HD
ENDBRANCH   1  14
TORSDOF 1