REMARK  Name = BDB002267
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.648  -2.089   1.565  0.00  0.00    -0.294 NA
ATOM      2  C   LIG    1       -1.505  -0.979   1.139  0.00  0.00    +0.123 C 
ATOM      3  C   LIG    1       -0.724   0.104   0.454  0.00  0.00    +0.014 C 
ATOM      4  C   LIG    1       -1.135   0.836  -0.600  0.00  0.00    +0.016 C 
ATOM      5  C   LIG    1        0.627   0.434   1.003  0.00  0.00    +0.188 C 
ATOM      6  O   LIG    1        1.131   1.539   0.827  0.00  0.00    -0.287 OA
ATOM      7  C   LIG    1        1.297  -0.640   1.798  0.00  0.00    +0.014 C 
ATOM      8  C   LIG    1        2.636  -0.752   1.913  0.00  0.00    +0.016 C 
ATOM      9  C   LIG    1        0.368  -1.594   2.494  0.00  0.00    +0.123 C 
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1       -2.440   0.688  -1.244  0.00  0.00    -0.021 A 
ATOM     11  C   LIG    1       -2.622  -0.245  -2.268  0.00  0.00    +0.057 A 
ATOM     12  C   LIG    1       -3.881  -0.388  -2.855  0.00  0.00    +0.159 A 
ATOM     13  C   LIG    1       -4.971   0.390  -2.437  0.00  0.00    +0.161 A 
ATOM     14  C   LIG    1       -4.777   1.322  -1.414  0.00  0.00    +0.050 A 
ATOM     15  C   LIG    1       -3.518   1.470  -0.820  0.00  0.00    +0.012 A 
BRANCH  12  16
ATOM     16  O   LIG    1       -4.061  -1.307  -3.856  0.00  0.00    -0.503 OA
ATOM     17  H   LIG    1       -3.217  -1.748  -4.039  0.00  0.00    +0.292 HD
ENDBRANCH  12  16
BRANCH  13  18
ATOM     18  O   LIG    1       -6.159   0.164  -3.082  0.00  0.00    -0.491 OA
ATOM     19  C   LIG    1       -7.278   0.943  -2.684  0.00  0.00    +0.277 C 
ENDBRANCH  13  18
ENDBRANCH   4  10
BRANCH   8  20
ATOM     20  C   LIG    1        3.681   0.059   1.275  0.00  0.00    -0.021 A 
ATOM     21  C   LIG    1        4.675   0.635   2.070  0.00  0.00    +0.057 A 
ATOM     22  C   LIG    1        5.696   1.365   1.470  0.00  0.00    +0.159 A 
ATOM     23  C   LIG    1        5.761   1.539   0.083  0.00  0.00    +0.161 A 
ATOM     24  C   LIG    1        4.779   0.951  -0.711  0.00  0.00    +0.050 A 
ATOM     25  C   LIG    1        3.751   0.206  -0.118  0.00  0.00    +0.012 A 
BRANCH  22  26
ATOM     26  O   LIG    1        6.653   1.920   2.277  0.00  0.00    -0.503 OA
ATOM     27  H   LIG    1        7.248   2.397   1.666  0.00  0.00    +0.292 HD
ENDBRANCH  22  26
BRANCH  23  28
ATOM     28  O   LIG    1        6.822   2.287  -0.359  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1        6.875   2.546  -1.757  0.00  0.00    +0.277 C 
ENDBRANCH  23  28
ENDBRANCH   8  20
BRANCH   1  31
ATOM     30  C   LIG    1       -2.239  -2.971   3.355  0.00  0.00    +0.020 C 
ATOM     31  C   LIG    1       -1.410  -3.225   2.099  0.00  0.00    +0.082 C 
ENDBRANCH   1  31
TORSDOF 7