REMARK  Name = BDB057418
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.290   1.861   0.127  0.00  0.00    +0.280 C 
ATOM      2  N   LIG    1       -1.557   1.340  -0.132  0.00  0.00    -0.182 N 
ATOM      3  C   LIG    1       -2.806   1.943   0.077  0.00  0.00    +0.274 A 
ATOM      4  O   LIG    1       -3.101   3.048   0.493  0.00  0.00    -0.266 OA
ATOM      5  C   LIG    1       -3.823   0.944  -0.333  0.00  0.00    +0.094 A 
ATOM      6  C   LIG    1       -3.138  -0.132  -0.740  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1       -3.714  -1.376  -1.323  0.00  0.00    +0.065 C 
ATOM      8  N   LIG    1       -1.768   0.015  -0.588  0.00  0.00    -0.292 N 
ATOM      9  H   LIG    1       -1.253  -0.205  -1.443  0.00  0.00    +0.187 HD
ATOM     10  O   LIG    1       -0.046   3.055   0.288  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1        4.297  -1.674   0.086  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        3.092  -0.780   0.076  0.00  0.00    -0.050 A 
ATOM     13  C   LIG    1        3.123   0.441  -0.610  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        2.015   1.291  -0.590  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        0.864   0.925   0.115  0.00  0.00    +0.041 A 
ATOM     16  C   LIG    1        0.841  -0.274   0.836  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1        1.950  -1.123   0.812  0.00  0.00    +0.004 A 
ENDBRANCH   1  15
TORSDOF 1