REMARK  Name = BDB026689
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.405  -1.781   0.403  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        3.224  -2.529   0.309  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.992  -1.859   0.340  0.00  0.00    +0.091 A 
ATOM      4  N   LIG    1        0.739  -2.381   0.211  0.00  0.00    -0.227 NA
ATOM      5  C   LIG    1       -0.100  -1.368   0.328  0.00  0.00    +0.146 A 
ATOM      6  N   LIG    1        0.591  -0.161   0.479  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1        1.950  -0.477   0.502  0.00  0.00    +0.074 A 
ATOM      8  C   LIG    1        3.127   0.289   0.577  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        4.353  -0.389   0.540  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        0.034   1.149   0.563  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1       -1.054   1.505  -0.248  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1       -1.616   2.784  -0.151  0.00  0.00    -0.024 A 
ATOM     13  C   LIG    1       -2.717   3.220  -1.079  0.00  0.00    +0.046 C 
ATOM     14  C   LIG    1       -3.600   4.271  -0.427  0.00  0.00    +0.101 C 
ATOM     15  C   LIG    1       -2.790   5.369   0.223  0.00  0.00    +0.218 C 
ATOM     16  N   LIG    1       -1.626   4.989   0.836  0.00  0.00    -0.285 N 
ATOM     17  H   LIG    1       -1.163   5.707   1.379  0.00  0.00    +0.155 HD
ATOM     18  O   LIG    1       -3.190   6.529   0.292  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -1.077   3.707   0.749  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1        0.017   3.368   1.543  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        0.568   2.087   1.456  0.00  0.00    +0.028 A 
ENDBRANCH   6  10
BRANCH   5  22
ATOM     22  C   LIG    1       -1.556  -1.548   0.367  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1       -2.193  -2.242  -0.671  0.00  0.00    +0.057 A 
ATOM     24  C   LIG    1       -3.578  -2.431  -0.668  0.00  0.00    +0.121 A 
ATOM     25  C   LIG    1       -4.334  -1.931   0.392  0.00  0.00    +0.045 A 
ATOM     26  C   LIG    1       -3.708  -1.259   1.445  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -2.325  -1.074   1.436  0.00  0.00    +0.012 A 
BRANCH  24  28
ATOM     28  O   LIG    1       -4.065  -3.107  -1.753  0.00  0.00    -0.495 OA
ATOM     29  C   LIG    1       -5.452  -3.420  -1.748  0.00  0.00    +0.277 C 
ENDBRANCH  24  28
ENDBRANCH   5  22
BRANCH   1  33
ATOM     30  C   LIG    1        8.024  -2.502  -0.404  0.00  0.00    +0.128 C 
ATOM     31  N   LIG    1        6.763  -1.835  -0.202  0.00  0.00    -0.314 N 
ATOM     32  H   LIG    1        6.567  -1.022  -0.770  0.00  0.00    +0.149 HD
ATOM     33  C   LIG    1        5.700  -2.511   0.364  0.00  0.00    +0.244 C 
ATOM     34  O   LIG    1        5.776  -3.657   0.790  0.00  0.00    -0.270 OA
ENDBRANCH   1  33
TORSDOF 4