REMARK  Name = BDB055652
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.062  -1.046  -2.850  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -1.834  -0.622  -2.008  0.00  0.00    +0.251 C 
ATOM      3  C   LIG    1       -1.496  -0.079  -0.639  0.00  0.00    +0.071 C 
ATOM      4  C   LIG    1       -0.203  -0.025  -0.285  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        0.355   0.430   1.051  0.00  0.00    +0.210 C 
ATOM      6  O   LIG    1       -0.203   0.906   2.016  0.00  0.00    -0.285 OA
ATOM      7  C   LIG    1        1.805   0.171   0.975  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1        2.055  -0.365  -0.292  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1        3.343  -0.681  -0.666  0.00  0.00    +0.039 A 
ATOM     10  C   LIG    1        4.370  -0.474   0.270  0.00  0.00    +0.061 A 
ATOM     11  C   LIG    1        4.096   0.033   1.563  0.00  0.00    +0.016 A 
ATOM     12  C   LIG    1        2.790   0.372   1.924  0.00  0.00    +0.014 A 
ATOM     13  N   LIG    1        0.897  -0.406  -1.051  0.00  0.00    -0.310 N 
ATOM     14  H   LIG    1        0.762  -0.941  -1.905  0.00  0.00    +0.152 HD
ATOM     15  C   LIG    1       -2.774   0.266   0.003  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1       -3.769  -0.045  -0.937  0.00  0.00    +0.042 A 
ATOM     17  C   LIG    1       -5.119   0.141  -0.705  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1       -5.490   0.667   0.531  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -4.514   0.987   1.488  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -3.150   0.788   1.226  0.00  0.00    +0.010 A 
ATOM     21  N   LIG    1       -3.209  -0.557  -2.102  0.00  0.00    -0.281 N 
ATOM     22  H   LIG    1       -3.719  -0.862  -2.917  0.00  0.00    +0.155 HD
ENDROOT
BRANCH  10  23
ATOM     23  C   LIG    1        5.751  -0.831  -0.125  0.00  0.00    +0.337 C 
ATOM     24  O   LIG    1        6.019  -1.834  -0.760  0.00  0.00    -0.245 OA
BRANCH  23  25
ATOM     25  O   LIG    1        6.663   0.087   0.255  0.00  0.00    -0.477 OA
ATOM     26  H   LIG    1        6.290   0.920   0.601  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  10  23
TORSDOF 2