REMARK  Name = BDB055637
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.563   1.527   2.674  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -2.170   1.041   1.735  0.00  0.00    +0.251 C 
ATOM      3  C   LIG    1       -1.591   0.384   0.504  0.00  0.00    +0.071 C 
ATOM      4  C   LIG    1       -0.254   0.334   0.389  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        0.537  -0.321  -0.729  0.00  0.00    +0.210 C 
ATOM      6  O   LIG    1        0.160  -0.831  -1.762  0.00  0.00    -0.285 OA
ATOM      7  C   LIG    1        1.949  -0.221  -0.316  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1        1.964   0.448   0.913  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1        3.162   0.716   1.542  0.00  0.00    +0.025 A 
ATOM     10  C   LIG    1        4.343   0.273   0.930  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1        4.304  -0.407  -0.310  0.00  0.00    +0.060 A 
ATOM     12  C   LIG    1        3.090  -0.673  -0.948  0.00  0.00    +0.028 A 
ATOM     13  N   LIG    1        0.687   0.836   1.283  0.00  0.00    -0.310 N 
ATOM     14  H   LIG    1        0.397   1.135   2.210  0.00  0.00    +0.152 HD
ATOM     15  C   LIG    1       -2.731  -0.072  -0.305  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1       -3.880   0.310   0.406  0.00  0.00    +0.042 A 
ATOM     17  C   LIG    1       -5.165   0.057  -0.035  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1       -5.306  -0.612  -1.249  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -4.173  -1.004  -1.979  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -2.880  -0.735  -1.509  0.00  0.00    +0.010 A 
ATOM     21  N   LIG    1       -3.540   0.959   1.587  0.00  0.00    -0.281 N 
ATOM     22  H   LIG    1       -4.190   1.317   2.270  0.00  0.00    +0.155 HD
ENDROOT
BRANCH  11  23
ATOM     23  C   LIG    1        5.550  -0.881  -0.952  0.00  0.00    +0.337 C 
ATOM     24  O   LIG    1        5.656  -1.978  -1.468  0.00  0.00    -0.245 OA
BRANCH  23  25
ATOM     25  O   LIG    1        6.534   0.042  -0.933  0.00  0.00    -0.477 OA
ATOM     26  H   LIG    1        6.257   0.932  -0.644  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  11  23
TORSDOF 2