REMARK  Name = BDB002992
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.174   3.573   1.223  0.00  0.00    -0.284 OA
ATOM      2  C   LIG    1       -2.010   2.418   0.858  0.00  0.00    +0.228 C 
ATOM      3  C   LIG    1       -3.181   1.473   0.665  0.00  0.00    +0.233 C 
ATOM      4  O   LIG    1       -4.310   1.806   0.997  0.00  0.00    -0.283 OA
ATOM      5  C   LIG    1       -2.909   0.154   0.065  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -1.588  -0.228  -0.211  0.00  0.00    +0.007 A 
ATOM      7  C   LIG    1       -1.391  -1.476  -0.828  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -2.467  -2.318  -1.132  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -3.767  -1.926  -0.830  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -0.440   0.659   0.121  0.00  0.00    +0.041 C 
ATOM     11  C   LIG    1       -3.991  -0.689  -0.234  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -0.660   1.893   0.601  0.00  0.00    +0.078 C 
ENDROOT
BRANCH  10  13
ATOM     13  N   LIG    1        0.850   0.154  -0.083  0.00  0.00    -0.329 N 
ATOM     14  C   LIG    1        1.459  -0.679   0.978  0.00  0.00    +0.105 C 
ATOM     15  C   LIG    1        2.812  -1.223   0.536  0.00  0.00    +0.019 C 
ATOM     16  C   LIG    1        3.798  -0.095   0.238  0.00  0.00    +0.003 C 
ATOM     17  C   LIG    1        3.102   1.176  -0.247  0.00  0.00    +0.019 C 
ATOM     18  C   LIG    1        1.799   0.859  -0.971  0.00  0.00    +0.105 C 
ENDBRANCH  10  13
TORSDOF 1