REMARK  Name = BDB048844
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.221   1.581  -0.479  0.00  0.00    -0.083 NA
ATOM      2  C   LIG    1       -1.274   0.409   0.053  0.00  0.00    +0.133 C 
ATOM      3  C   LIG    1       -2.554  -0.323   0.133  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1       -2.389  -1.310   1.112  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1       -3.455  -2.100   1.486  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -4.679  -1.911   0.830  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -4.827  -0.922  -0.163  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1       -1.109  -1.262   1.669  0.00  0.00    -0.312 N 
ATOM      9  H   LIG    1       -0.684  -2.094   2.072  0.00  0.00    +0.152 HD
ATOM     10  C   LIG    1       -3.754  -0.101  -0.515  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -0.309  -0.460   0.851  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1        1.018  -0.585   0.677  0.00  0.00    +0.069 C 
ATOM     13  C   LIG    1        1.986  -0.066  -0.300  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        3.251  -0.481   0.141  0.00  0.00    +0.055 A 
ATOM     15  C   LIG    1        4.414  -0.183  -0.553  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1        4.298   0.527  -1.749  0.00  0.00    +0.016 A 
ATOM     17  C   LIG    1        3.031   0.894  -2.234  0.00  0.00    +0.002 A 
ATOM     18  I   LIG    1        6.284  -0.786   0.112  0.00  0.00    -0.042 I 
ATOM     19  N   LIG    1        3.126  -1.267   1.288  0.00  0.00    -0.280 N 
ATOM     20  H   LIG    1        3.888  -1.741   1.750  0.00  0.00    +0.155 HD
ATOM     21  C   LIG    1        1.869   0.580  -1.519  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1        1.801  -1.448   1.635  0.00  0.00    +0.251 C 
ATOM     23  O   LIG    1        1.367  -2.170   2.513  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  25
ATOM     24  C   LIG    1       -0.124   3.588  -0.590  0.00  0.00    +0.313 C 
ATOM     25  O   LIG    1       -0.043   2.247  -0.123  0.00  0.00    -0.397 OA
ENDBRANCH   1  25
TORSDOF 1