REMARK  Name = BDB003124
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.320   0.739  -1.140  0.00  0.00    -0.283 N 
ATOM      2  H   LIG    1        0.013   1.283  -0.332  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1       -0.556   0.724  -2.213  0.00  0.00    +0.222 C 
ATOM      4  O   LIG    1       -0.403   0.119  -3.269  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1        4.069  -1.246  -0.702  0.00  0.00    +0.122 A 
ATOM      6  C   LIG    1        3.547  -0.505   0.352  0.00  0.00    +0.080 A 
ATOM      7  C   LIG    1        2.305   0.151   0.205  0.00  0.00    +0.151 A 
ATOM      8  C   LIG    1        1.566   0.077  -0.999  0.00  0.00    +0.064 A 
ATOM      9  C   LIG    1        2.118  -0.675  -2.041  0.00  0.00    +0.029 A 
ATOM     10  C   LIG    1        3.350  -1.325  -1.893  0.00  0.00    +0.047 A 
BRANCH   7  11
ATOM     11  N   LIG    1        1.811   0.909   1.365  0.00  0.00    +0.058 N 
ATOM     12  O   LIG    1        2.312   0.664   2.472  0.00  0.00    -0.126 OA
ATOM     13  O   LIG    1        0.924   1.757   1.176  0.00  0.00    -0.126 OA
ENDBRANCH   7  11
BRANCH   5  15
ATOM     14  C   LIG    1        6.015  -1.911   0.500  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1        5.252  -1.928  -0.701  0.00  0.00    -0.495 OA
ENDBRANCH   5  15
ENDBRANCH   1   8
BRANCH   3  16
ATOM     16  C   LIG    1       -1.788   1.589  -1.980  0.00  0.00    +0.131 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.650   1.095  -0.844  0.00  0.00    -0.039 A 
ATOM     18  C   LIG    1       -2.747   1.821   0.350  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -3.528   1.345   1.405  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1       -4.234   0.143   1.282  0.00  0.00    -0.050 A 
ATOM     21  C   LIG    1       -5.045  -0.382   2.430  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1       -4.128  -0.588   0.094  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1       -3.347  -0.114  -0.962  0.00  0.00    +0.004 A 
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 5