REMARK VINA RESULT:      -4.4      1.705      3.462
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      37.832 -38.432 -44.195  0.00  0.00    -0.337 OA
ATOM      2  C   UNL d   1      38.716 -39.581 -44.059  0.00  0.00     0.065 C 
ATOM      3  C   UNL d   1      40.046 -39.291 -44.791  0.00  0.00     0.079 C 
ATOM      4  C   UNL d   1      39.689 -38.046 -45.506  0.00  0.00    -0.019 A 
ATOM      5  C   UNL d   1      38.433 -37.612 -45.114  0.00  0.00     0.110 A 
ATOM      6  C   UNL d   1      37.996 -40.790 -44.666  0.00  0.00     0.046 C 
ATOM      7  C   UNL d   1      38.947 -39.807 -42.563  0.00  0.00     0.046 C 
ATOM      8  C   UNL d   1      40.445 -37.321 -46.412  0.00  0.00     0.010 A 
ATOM      9  C   UNL d   1      37.884 -36.445 -45.618  0.00  0.00     0.114 A 
ATOM     10  C   UNL d   1      39.912 -36.134 -46.918  0.00  0.00     0.003 A 
ATOM     11  C   UNL d   1      38.641 -35.688 -46.516  0.00  0.00     0.040 A 
ENDROOT
BRANCH   9  12
ATOM     12  O   UNL d   1      36.620 -36.051 -45.135  0.00  0.00    -0.259 OA
BRANCH  12  13
ATOM     13  C   UNL d   1      36.275 -34.711 -45.010  0.00  0.00     0.365 C 
ATOM     14  O   UNL d   1      36.695 -33.929 -44.166  0.00  0.00    -0.238 OA
ATOM     15  N   UNL d   1      35.372 -34.285 -45.947  0.00  0.00    -0.341 N 
ATOM     16  C   UNL d   1      34.820 -35.048 -47.037  0.00  0.00     0.151 C 
ATOM     17  H   UNL d   1      35.112 -33.313 -45.844  0.00  0.00     0.164 HD
ENDBRANCH  12  13
ENDBRANCH   9  12
TORSDOF 2