REMARK  Name = BDB046147
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.560  -0.203  -2.872  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -3.513   0.063  -2.287  0.00  0.00    +0.246 C 
ATOM      3  C   LIG    1       -3.345  -0.292  -0.859  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1       -2.113  -0.390  -0.194  0.00  0.00    +0.081 A 
ATOM      5  C   LIG    1       -2.026  -0.759   1.147  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1       -3.190  -1.040   1.877  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -4.427  -0.958   1.236  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1       -0.725  -0.794   1.567  0.00  0.00    -0.228 NA
ATOM      9  C   LIG    1        0.013  -0.506   0.512  0.00  0.00    +0.142 A 
ATOM     10  N   LIG    1       -0.801  -0.187  -0.560  0.00  0.00    -0.322 N 
ATOM     11  C   LIG    1       -0.360   0.349  -1.832  0.00  0.00    +0.142 C 
ATOM     12  C   LIG    1       -1.344   1.343  -2.433  0.00  0.00    +0.126 C 
ATOM     13  C   LIG    1       -4.499  -0.596  -0.109  0.00  0.00    +0.015 A 
ATOM     14  N   LIG    1       -2.518   0.701  -2.981  0.00  0.00    -0.310 N 
ATOM     15  H   LIG    1       -2.815   0.958  -3.916  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   9  16
ATOM     16  C   LIG    1        1.478  -0.489   0.515  0.00  0.00    +0.018 A 
ATOM     17  C   LIG    1        2.155   0.177   1.547  0.00  0.00    +0.017 A 
ATOM     18  C   LIG    1        3.556   0.205   1.592  0.00  0.00    -0.022 A 
ATOM     19  C   LIG    1        4.281  -0.439   0.581  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1        3.619  -1.123  -0.438  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        2.224  -1.155  -0.466  0.00  0.00    +0.011 A 
BRANCH  18  22
ATOM     22  C   LIG    1        4.277   0.937   2.692  0.00  0.00    +0.191 C 
BRANCH  22  23
ATOM     23  O   LIG    1        4.807   2.163   2.208  0.00  0.00    -0.390 OA
ATOM     24  H   LIG    1        4.325   2.392   1.396  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
ENDBRANCH  18  22
ENDBRANCH   9  16
TORSDOF 3