REMARK VINA RESULT:      -4.6      2.616      4.050
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      38.821 -36.325 -46.396  0.00  0.00    -0.337 OA
ATOM      2  C   UNL d   1      38.672 -35.022 -47.029  0.00  0.00     0.065 C 
ATOM      3  C   UNL d   1      37.385 -34.344 -46.506  0.00  0.00     0.079 C 
ATOM      4  C   UNL d   1      36.771 -35.473 -45.772  0.00  0.00    -0.019 A 
ATOM      5  C   UNL d   1      37.640 -36.552 -45.739  0.00  0.00     0.110 A 
ATOM      6  C   UNL d   1      38.607 -35.251 -48.543  0.00  0.00     0.046 C 
ATOM      7  C   UNL d   1      39.913 -34.198 -46.677  0.00  0.00     0.046 C 
ATOM      8  C   UNL d   1      35.542 -35.525 -45.135  0.00  0.00     0.010 A 
ATOM      9  C   UNL d   1      37.308 -37.724 -45.079  0.00  0.00     0.114 A 
ATOM     10  C   UNL d   1      35.199 -36.694 -44.453  0.00  0.00     0.003 A 
ATOM     11  C   UNL d   1      36.082 -37.787 -44.413  0.00  0.00     0.040 A 
ENDROOT
BRANCH   9  12
ATOM     12  O   UNL d   1      38.265 -38.758 -45.056  0.00  0.00    -0.259 OA
BRANCH  12  13
ATOM     13  C   UNL d   1      38.683 -39.337 -43.864  0.00  0.00     0.365 C 
ATOM     14  O   UNL d   1      39.356 -38.799 -42.993  0.00  0.00    -0.238 OA
ATOM     15  N   UNL d   1      38.273 -40.633 -43.708  0.00  0.00    -0.341 N 
ATOM     16  C   UNL d   1      37.437 -41.398 -44.598  0.00  0.00     0.151 C 
ATOM     17  H   UNL d   1      38.592 -41.056 -42.846  0.00  0.00     0.164 HD
ENDBRANCH  12  13
ENDBRANCH   9  12
TORSDOF 2