REMARK VINA RESULT:      -4.5      2.367      4.369
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      38.981 -38.343 -44.677  0.00  0.00    -0.337 OA
ATOM      2  C   UNL d   1      38.412 -39.514 -44.025  0.00  0.00     0.065 C 
ATOM      3  C   UNL d   1      36.869 -39.413 -44.051  0.00  0.00     0.079 C 
ATOM      4  C   UNL d   1      36.703 -38.021 -44.525  0.00  0.00    -0.019 A 
ATOM      5  C   UNL d   1      37.932 -37.483 -44.872  0.00  0.00     0.110 A 
ATOM      6  C   UNL d   1      38.945 -39.546 -42.588  0.00  0.00     0.046 C 
ATOM      7  C   UNL d   1      38.898 -40.747 -44.790  0.00  0.00     0.046 C 
ATOM      8  C   UNL d   1      35.534 -37.294 -44.682  0.00  0.00     0.010 A 
ATOM      9  C   UNL d   1      38.039 -36.198 -45.377  0.00  0.00     0.114 A 
ATOM     10  C   UNL d   1      35.624 -36.002 -45.205  0.00  0.00     0.003 A 
ATOM     11  C   UNL d   1      36.869 -35.458 -45.563  0.00  0.00     0.040 A 
ENDROOT
BRANCH   9  12
ATOM     12  O   UNL d   1      39.320 -35.742 -45.745  0.00  0.00    -0.259 OA
BRANCH  12  13
ATOM     13  C   UNL d   1      39.547 -35.117 -46.965  0.00  0.00     0.365 C 
ATOM     14  O   UNL d   1      39.324 -33.942 -47.231  0.00  0.00    -0.238 OA
ATOM     15  N   UNL d   1      40.066 -35.947 -47.921  0.00  0.00    -0.341 N 
ATOM     16  C   UNL d   1      40.439 -37.330 -47.767  0.00  0.00     0.151 C 
ATOM     17  H   UNL d   1      40.216 -35.493 -48.812  0.00  0.00     0.164 HD
ENDBRANCH  12  13
ENDBRANCH   9  12
TORSDOF 2