REMARK  Name = BDB021947
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.991  -0.488  -0.014  0.00  0.00    -0.269 N 
ATOM      2  H   LIG    1       -2.000   0.523  -0.030  0.00  0.00    +0.156 HD
ATOM      3  C   LIG    1       -0.767  -1.032  -0.340  0.00  0.00    +0.307 C 
ATOM      4  N   LIG    1        0.328  -0.218  -0.003  0.00  0.00    -0.275 N 
ATOM      5  O   LIG    1       -0.608  -2.121  -0.887  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        1.661  -0.674  -0.457  0.00  0.00    +0.081 C 
ATOM      7  C   LIG    1        2.281  -1.675   0.533  0.00  0.00    +0.041 C 
ATOM      8  C   LIG    1        3.778  -1.827   0.299  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1        4.482  -0.552   0.445  0.00  0.00    -0.302 N 
ATOM     10  C   LIG    1        5.803  -0.435   0.861  0.00  0.00    +0.212 C 
ATOM     11  O   LIG    1        6.333   0.654   1.080  0.00  0.00    -0.276 OA
ATOM     12  C   LIG    1        6.582  -1.713   1.047  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1        3.734   0.673   0.173  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        2.628   0.456  -0.851  0.00  0.00    +0.041 C 
ENDBRANCH   4   6
BRANCH   1  16
ATOM     15  C   LIG    1       -4.433  -0.374   0.068  0.00  0.00    -0.026 A 
ATOM     16  C   LIG    1       -3.248  -1.139  -0.007  0.00  0.00    +0.038 A 
ATOM     17  C   LIG    1       -3.348  -2.537  -0.027  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1       -4.590  -3.176  -0.003  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -5.756  -2.425   0.049  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -5.678  -1.035   0.084  0.00  0.00    +0.005 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -4.351   1.734  -1.300  0.00  0.00    +0.009 C 
ATOM     22  C   LIG    1       -4.451   1.138   0.097  0.00  0.00    +0.033 C 
ENDBRANCH  15  22
ENDBRANCH   1  16
BRANCH   4  23
ATOM     23  C   LIG    1        0.240   0.746   1.103  0.00  0.00    +0.183 C 
BRANCH  23  24
ATOM     24  C   LIG    1        0.011   2.125   0.596  0.00  0.00    +0.122 A 
ATOM     25  O   LIG    1       -1.140   2.347  -0.106  0.00  0.00    -0.466 OA
ATOM     26  C   LIG    1       -1.139   3.657  -0.465  0.00  0.00    +0.195 A 
ATOM     27  C   LIG    1       -0.015   4.287   0.012  0.00  0.00    +0.041 A 
ATOM     28  C   LIG    1        0.727   3.301   0.704  0.00  0.00    +0.046 A 
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 5