REMARK  Name = BDB016172
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.300   1.156  -0.951  0.00  0.00    -0.002 A 
ATOM      2  C   LIG    1       -1.498   0.697  -0.317  0.00  0.00    +0.056 A 
ATOM      3  N   LIG    1       -1.363   0.108   0.946  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.421  -0.249   1.095  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.369  -0.744   1.554  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -3.626   0.035   1.848  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1       -4.506   0.214   0.657  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -4.019   0.661  -0.524  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -4.776   0.817  -1.179  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -5.722   0.015   0.745  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -2.554  -2.056   0.796  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -2.719   0.960  -0.979  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1       -2.704   1.572  -2.252  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -1.522   1.977  -2.863  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -0.320   1.779  -2.207  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  18
ATOM     16  C   LIG    1        1.507  -1.259  -1.407  0.00  0.00    +0.044 C 
ATOM     17  C   LIG    1        1.834  -0.082  -0.526  0.00  0.00    -0.043 C 
ATOM     18  C   LIG    1        1.028   0.981  -0.331  0.00  0.00    +0.013 C 
BRANCH  17  19
ATOM     19  C   LIG    1        3.133  -0.138   0.185  0.00  0.00    -0.022 A 
ATOM     20  C   LIG    1        3.509  -1.282   0.903  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        4.738  -1.338   1.565  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        5.610  -0.253   1.514  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        5.254   0.889   0.800  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        4.024   0.945   0.139  0.00  0.00    +0.008 A 
ENDBRANCH  17  19
ENDBRANCH   1  18
TORSDOF 2