REMARK  Name = BDB012767
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.901  -2.680  -1.943  0.00  0.00    +0.071 A 
ATOM      2  N   LIG    1        1.322  -3.849  -1.440  0.00  0.00    -0.178 NA
ATOM      3  N   LIG    1        0.674  -3.954  -0.269  0.00  0.00    -0.272 N 
ATOM      4  H   LIG    1        0.812  -4.785   0.297  0.00  0.00    +0.189 HD
ATOM      5  C   LIG    1       -0.112  -2.876   0.044  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -0.022  -2.055  -1.061  0.00  0.00    +0.058 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -0.839  -2.834   1.288  0.00  0.00    +0.264 C 
ATOM      8  N   LIG    1       -1.269  -1.616   1.784  0.00  0.00    -0.294 N 
ATOM      9  C   LIG    1       -0.824  -0.285   1.389  0.00  0.00    +0.130 C 
ATOM     10  C   LIG    1       -1.154   0.615   2.588  0.00  0.00    +0.092 C 
ATOM     11  C   LIG    1       -2.353  -0.096   3.218  0.00  0.00    +0.043 C 
ATOM     12  C   LIG    1       -1.991  -1.561   3.045  0.00  0.00    +0.110 C 
ATOM     13  O   LIG    1       -1.056  -3.874   1.911  0.00  0.00    -0.268 OA
BRANCH  10  14
ATOM     14  N   LIG    1       -1.445   1.988   2.228  0.00  0.00    -0.311 N 
ATOM     15  H   LIG    1       -1.914   2.176   1.353  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1       -1.418   2.988   3.173  0.00  0.00    +0.216 C 
ATOM     17  O   LIG    1       -1.057   2.819   4.330  0.00  0.00    -0.276 OA
BRANCH  16  18
ATOM     18  C   LIG    1       -1.872   4.338   2.736  0.00  0.00    +0.075 C 
ATOM     19  C   LIG    1       -1.761   4.827   1.312  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1       -3.112   4.525   1.893  0.00  0.00    +0.013 C 
ENDBRANCH  16  18
ENDBRANCH  10  14
ENDBRANCH   5   7
BRANCH   1  22
ATOM     21  C   LIG    1        2.247  -3.144  -4.077  0.00  0.00    +0.019 C 
ATOM     22  C   LIG    1        1.365  -2.176  -3.289  0.00  0.00    +0.066 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.069  -0.853  -3.016  0.00  0.00    -0.039 A 
ATOM     24  C   LIG    1        3.254  -0.785  -2.263  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        3.881   0.439  -2.026  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        3.337   1.613  -2.542  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        2.167   1.564  -3.296  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        1.536   0.341  -3.533  0.00  0.00    +0.004 A 
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 5