REMARK  Name = BDB045572
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.616  -0.931  -0.119  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1        2.319  -0.230   0.014  0.00  0.00    +0.105 A 
ATOM      3  N   LIG    1        1.123  -0.856  -0.227  0.00  0.00    -0.341 N 
ATOM      4  H   LIG    1        0.981  -1.816  -0.519  0.00  0.00    +0.167 HD
ATOM      5  C   LIG    1        0.112   0.051  -0.023  0.00  0.00    +0.078 A 
ATOM      6  C   LIG    1        0.769   1.219   0.334  0.00  0.00    +0.090 A 
ATOM      7  C   LIG    1        0.018   2.371   0.606  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1       -1.377   2.306   0.498  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -2.016   1.114   0.137  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -1.281  -0.056  -0.123  0.00  0.00    +0.062 A 
ATOM     11  N   LIG    1        2.129   1.028   0.359  0.00  0.00    -0.233 NA
ENDROOT
BRANCH  10  12
ATOM     12  C   LIG    1       -1.884  -1.358  -0.503  0.00  0.00    +0.244 C 
ATOM     13  O   LIG    1       -1.189  -2.286  -0.905  0.00  0.00    -0.270 OA
ATOM     14  N   LIG    1       -3.234  -1.512  -0.357  0.00  0.00    -0.325 N 
ATOM     15  H   LIG    1       -3.805  -0.882   0.186  0.00  0.00    +0.145 HD
ATOM     16  H   LIG    1       -3.598  -2.442  -0.521  0.00  0.00    +0.145 HD
ENDBRANCH  10  12
TORSDOF 1