REMARK  Name = BDB027994
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.448  -0.654  -0.462  0.00  0.00    +0.404 C 
ATOM      2  N   LIG    1       -2.124  -0.336  -0.365  0.00  0.00    -0.257 N 
ATOM      3  C   LIG    1       -1.151  -0.781  -1.359  0.00  0.00    +0.167 C 
ATOM      4  C   LIG    1        0.141  -0.205  -0.846  0.00  0.00    +0.068 A 
ATOM      5  C   LIG    1       -0.090   0.497   0.316  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        0.993   1.077   0.896  0.00  0.00    +0.121 A 
ATOM      7  N   LIG    1        2.225   0.968   0.358  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1        2.353   0.267  -0.790  0.00  0.00    +0.216 A 
ATOM      9  N   LIG    1        1.341  -0.343  -1.423  0.00  0.00    -0.218 NA
ATOM     10  C   LIG    1       -1.523   0.467   0.694  0.00  0.00    +0.150 C 
ATOM     11  O   LIG    1       -3.912  -1.328  -1.370  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   8  12
ATOM     12  N   LIG    1        3.595   0.141  -1.393  0.00  0.00    -0.302 N 
ATOM     13  H   LIG    1        3.511  -0.658  -2.023  0.00  0.00    +0.150 HD
BRANCH  12  14
ATOM     14  C   LIG    1        4.721   0.039  -0.468  0.00  0.00    +0.160 C 
ATOM     15  C   LIG    1        5.752  -0.947  -1.042  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        5.441  -1.881  -1.782  0.00  0.00    -0.273 OA
ATOM     17  N   LIG    1        7.059  -0.764  -0.659  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1        7.728  -1.421  -1.038  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1        7.583   0.283   0.054  0.00  0.00    +0.219 C 
ATOM     20  O   LIG    1        8.788   0.360   0.273  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1        6.597   1.287   0.599  0.00  0.00    +0.098 C 
ATOM     22  C   LIG    1        5.380   1.408  -0.303  0.00  0.00    +0.041 C 
ENDBRANCH  12  14
ENDBRANCH   8  12
BRANCH   1  23
ATOM     23  O   LIG    1       -4.158  -0.129   0.568  0.00  0.00    -0.445 OA
BRANCH  23  25
ATOM     24  C   LIG    1       -6.003   0.404   1.948  0.00  0.00    +0.055 C 
ATOM     25  C   LIG    1       -5.590  -0.340   0.668  0.00  0.00    +0.107 C 
ATOM     26  C   LIG    1       -5.925  -1.826   0.838  0.00  0.00    +0.055 C 
ATOM     27  C   LIG    1       -6.331   0.284  -0.519  0.00  0.00    +0.055 C 
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 4