REMARK VINA RESULT:      -4.7      0.000      0.000
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      38.287 -37.368 -46.726  0.00  0.00    -0.337 OA
ATOM      2  C   UNL d   1      39.727 -37.205 -46.868  0.00  0.00     0.065 C 
ATOM      3  C   UNL d   1      40.445 -38.051 -45.792  0.00  0.00     0.079 C 
ATOM      4  C   UNL d   1      39.292 -38.447 -44.953  0.00  0.00    -0.019 A 
ATOM      5  C   UNL d   1      38.107 -38.039 -45.545  0.00  0.00     0.110 A 
ATOM      6  C   UNL d   1      40.040 -35.713 -46.706  0.00  0.00     0.046 C 
ATOM      7  C   UNL d   1      40.104 -37.668 -48.277  0.00  0.00     0.046 C 
ATOM      8  C   UNL d   1      39.289 -39.159 -43.765  0.00  0.00     0.010 A 
ATOM      9  C   UNL d   1      36.879 -38.320 -44.969  0.00  0.00     0.114 A 
ATOM     10  C   UNL d   1      38.058 -39.464 -43.179  0.00  0.00     0.003 A 
ATOM     11  C   UNL d   1      36.856 -39.058 -43.782  0.00  0.00     0.040 A 
ENDROOT
BRANCH   9  12
ATOM     12  O   UNL d   1      35.720 -37.909 -45.657  0.00  0.00    -0.259 OA
BRANCH  12  13
ATOM     13  C   UNL d   1      35.030 -36.759 -45.296  0.00  0.00     0.365 C 
ATOM     14  O   UNL d   1      34.644 -36.467 -44.170  0.00  0.00    -0.238 OA
ATOM     15  N   UNL d   1      34.784 -35.913 -46.342  0.00  0.00    -0.341 N 
ATOM     16  C   UNL d   1      35.210 -36.069 -47.710  0.00  0.00     0.151 C 
ATOM     17  H   UNL d   1      34.268 -35.084 -46.079  0.00  0.00     0.164 HD
ENDBRANCH  12  13
ENDBRANCH   9  12
TORSDOF 2