REMARK VINA RESULT:      -4.4      1.406      3.353
REMARK  2 active torsions:
REMARK  status: ('A' for Active; 'I' for Inactive)
REMARK    1  A    between atoms: O_2  and  C_12 
REMARK    2  A    between atoms: O_2  and  C_15 
REMARK       I    between atoms: N_4  and  C_15 
ROOT
ATOM      1  O   UNL d   1      37.837 -38.524 -44.218  0.00  0.00    -0.337 OA
ATOM      2  C   UNL d   1      38.795 -39.605 -44.031  0.00  0.00     0.065 C 
ATOM      3  C   UNL d   1      40.128 -39.230 -44.720  0.00  0.00     0.079 C 
ATOM      4  C   UNL d   1      39.709 -38.024 -45.469  0.00  0.00    -0.019 A 
ATOM      5  C   UNL d   1      38.411 -37.675 -45.128  0.00  0.00     0.110 A 
ATOM      6  C   UNL d   1      38.186 -40.871 -44.644  0.00  0.00     0.046 C 
ATOM      7  C   UNL d   1      38.987 -39.792 -42.525  0.00  0.00     0.046 C 
ATOM      8  C   UNL d   1      40.444 -37.259 -46.359  0.00  0.00     0.010 A 
ATOM      9  C   UNL d   1      37.800 -36.558 -45.671  0.00  0.00     0.114 A 
ATOM     10  C   UNL d   1      39.847 -36.120 -46.903  0.00  0.00     0.003 A 
ATOM     11  C   UNL d   1      38.534 -35.762 -46.554  0.00  0.00     0.040 A 
ENDROOT
BRANCH   9  12
ATOM     12  O   UNL d   1      36.494 -36.249 -45.240  0.00  0.00    -0.259 OA
BRANCH  12  13
ATOM     13  C   UNL d   1      35.377 -36.617 -45.980  0.00  0.00     0.365 C 
ATOM     14  O   UNL d   1      34.933 -37.751 -46.110  0.00  0.00    -0.238 OA
ATOM     15  N   UNL d   1      34.760 -35.567 -46.603  0.00  0.00    -0.341 N 
ATOM     16  C   UNL d   1      35.110 -34.172 -46.517  0.00  0.00     0.151 C 
ATOM     17  H   UNL d   1      33.956 -35.839 -47.153  0.00  0.00     0.164 HD
ENDBRANCH  12  13
ENDBRANCH   9  12
TORSDOF 2