REMARK  Name = BDB012665
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.992  -0.459  -0.048  0.00  0.00    -0.296 N 
ATOM      2  H   LIG    1        0.744  -0.846  -0.962  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   7
ATOM      3  C   LIG    1       -3.851   0.249  -2.789  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -3.154   0.663  -1.525  0.00  0.00    -0.050 A 
ATOM      5  C   LIG    1       -1.855   0.198  -1.256  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1       -1.216   0.566  -0.052  0.00  0.00    +0.042 A 
ATOM      7  C   LIG    1        0.053   0.310   0.557  0.00  0.00    +0.153 A 
ATOM      8  N   LIG    1        0.147   0.917   1.743  0.00  0.00    -0.155 NA
ATOM      9  N   LIG    1       -1.029   1.549   1.893  0.00  0.00    -0.265 N 
ATOM     10  C   LIG    1       -1.272   2.316   3.091  0.00  0.00    +0.173 C 
ATOM     11  C   LIG    1       -1.899   1.376   0.849  0.00  0.00    +0.071 A 
ATOM     12  C   LIG    1       -3.200   1.841   0.614  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -3.813   1.464  -0.586  0.00  0.00    +0.005 A 
ENDBRANCH   1   7
BRANCH   1  14
ATOM     14  C   LIG    1        2.293  -0.848   0.346  0.00  0.00    +0.065 A 
ATOM     15  C   LIG    1        3.097  -1.673  -0.473  0.00  0.00    +0.083 A 
ATOM     16  C   LIG    1        4.385  -2.049  -0.066  0.00  0.00    +0.036 A 
ATOM     17  C   LIG    1        4.848  -1.595   1.151  0.00  0.00    +0.111 A 
ATOM     18  N   LIG    1        4.127  -0.810   1.968  0.00  0.00    -0.261 NA
ATOM     19  C   LIG    1        2.880  -0.459   1.551  0.00  0.00    +0.134 A 
BRANCH  15  20
ATOM     20  C   LIG    1        2.577  -2.150  -1.781  0.00  0.00    +0.339 C 
ATOM     21  O   LIG    1        1.478  -1.894  -2.245  0.00  0.00    -0.245 OA
BRANCH  20  22
ATOM     22  O   LIG    1        3.448  -2.925  -2.453  0.00  0.00    -0.477 OA
ATOM     23  H   LIG    1        2.978  -3.161  -3.281  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  15  20
ENDBRANCH   1  14
TORSDOF 4