REMARK  Name = BDB028021
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.839  -0.700  -0.432  0.00  0.00    -0.479 OA
ENDROOT
BRANCH   1   8
ATOM      2  O   LIG    1       -5.030   0.006   1.235  0.00  0.00    -0.275 OA
ATOM      3  C   LIG    1       -3.966   0.131   0.635  0.00  0.00    +0.219 C 
ATOM      4  N   LIG    1       -3.847  -0.251  -0.677  0.00  0.00    -0.253 N 
ATOM      5  H   LIG    1       -4.699  -0.569  -1.118  0.00  0.00    +0.158 HD
ATOM      6  C   LIG    1       -2.799   0.017  -1.526  0.00  0.00    +0.260 C 
ATOM      7  O   LIG    1       -2.928  -0.122  -2.742  0.00  0.00    -0.271 OA
ATOM      8  C   LIG    1       -1.499   0.485  -0.879  0.00  0.00    +0.259 C 
ATOM      9  C   LIG    1       -1.840   1.406   0.291  0.00  0.00    +0.063 C 
ATOM     10  C   LIG    1       -2.726   0.682   1.296  0.00  0.00    +0.100 C 
ENDBRANCH   1   8
BRANCH   1  11
ATOM     11  C   LIG    1        0.520  -0.686  -0.285  0.00  0.00    +0.125 A 
ATOM     12  C   LIG    1        1.360   0.415  -0.470  0.00  0.00    +0.095 A 
ATOM     13  C   LIG    1        2.714   0.232  -0.265  0.00  0.00    +0.170 A 
ATOM     14  O   LIG    1        3.669   1.192  -0.398  0.00  0.00    -0.452 OA
ATOM     15  C   LIG    1        4.858   0.440  -0.074  0.00  0.00    +0.466 C 
ATOM     16  O   LIG    1        4.591  -0.939   0.256  0.00  0.00    -0.453 OA
ATOM     17  C   LIG    1        3.241  -0.981   0.109  0.00  0.00    +0.166 A 
ATOM     18  C   LIG    1        2.442  -2.084   0.301  0.00  0.00    +0.053 A 
ATOM     19  C   LIG    1        1.067  -1.927   0.101  0.00  0.00    +0.049 A 
ENDBRANCH   1  11
TORSDOF 2