REMARK  Name = BDB012187
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.911   1.121  -2.438  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -2.015   0.462  -1.410  0.00  0.00    +0.214 C 
ATOM      3  N   LIG    1       -0.975  -0.259  -0.858  0.00  0.00    -0.312 N 
ATOM      4  H   LIG    1       -1.101  -0.650   0.067  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.366  -0.235  -1.432  0.00  0.00    +0.073 C 
ATOM      6  C   LIG    1        1.162  -1.475  -0.992  0.00  0.00    +0.023 C 
ATOM      7  C   LIG    1        1.986  -1.206   0.267  0.00  0.00    +0.015 C 
ATOM      8  C   LIG    1        3.019  -0.081   0.055  0.00  0.00    +0.077 C 
ATOM      9  C   LIG    1        2.587   0.923  -1.029  0.00  0.00    +0.015 C 
ATOM     10  C   LIG    1        1.073   1.084  -1.070  0.00  0.00    +0.023 C 
BRANCH   8  11
ATOM     11  C   LIG    1        4.364  -0.634  -0.271  0.00  0.00    +0.221 A 
ATOM     12  O   LIG    1        5.438  -0.104   0.392  0.00  0.00    -0.420 OA
ATOM     13  C   LIG    1        6.479  -0.819  -0.146  0.00  0.00    +0.248 A 
ATOM     14  N   LIG    1        6.074  -1.694  -1.045  0.00  0.00    -0.107 NA
ATOM     15  N   LIG    1        4.702  -1.572  -1.129  0.00  0.00    -0.112 NA
BRANCH  13  16
ATOM     16  C   LIG    1        7.821  -0.519   0.334  0.00  0.00    +0.038 A 
ATOM     17  C   LIG    1        8.060   0.464   1.308  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        9.359   0.730   1.750  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       10.435   0.018   1.225  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       10.216  -0.961   0.259  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        8.917  -1.227  -0.183  0.00  0.00    +0.013 A 
ENDBRANCH  13  16
ENDBRANCH   8  11
ENDBRANCH   3   5
BRANCH   2  22
ATOM     22  C   LIG    1       -3.290   0.362  -0.600  0.00  0.00    +0.102 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.453   1.070  -1.292  0.00  0.00    +0.065 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.711   1.036  -0.455  0.00  0.00    +0.049 A 
ATOM     25  N   LIG    1       -6.236  -0.209  -0.223  0.00  0.00    -0.234 NA
ATOM     26  C   LIG    1       -7.331  -0.284   0.472  0.00  0.00    +0.140 A 
ATOM     27  N   LIG    1       -8.000   0.811   1.005  0.00  0.00    -0.268 N 
ATOM     28  C   LIG    1       -9.166   0.648   1.744  0.00  0.00    +0.096 A 
ATOM     29  C   LIG    1       -9.693  -0.561   1.972  0.00  0.00    +0.018 A 
ATOM     30  C   LIG    1       -9.049  -1.735   1.445  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -7.497   2.087   0.804  0.00  0.00    +0.259 A 
ATOM     32  O   LIG    1       -7.988   3.129   1.235  0.00  0.00    -0.267 OA
ATOM     33  C   LIG    1       -7.924  -1.627   0.728  0.00  0.00    +0.047 A 
ATOM     34  C   LIG    1       -6.264   2.165   0.002  0.00  0.00    +0.094 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   2  22
TORSDOF 6