REMARK VINA RESULT:      -4.5      1.676      1.903
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      38.092 -39.575 -47.063  0.00  0.00    -0.337 OA
ATOM      2  C   UNL d   1      39.398 -40.151 -47.353  0.00  0.00     0.065 C 
ATOM      3  C   UNL d   1      40.050 -40.626 -46.035  0.00  0.00     0.079 C 
ATOM      4  C   UNL d   1      39.117 -40.036 -45.050  0.00  0.00    -0.019 A 
ATOM      5  C   UNL d   1      38.030 -39.471 -45.698  0.00  0.00     0.110 A 
ATOM      6  C   UNL d   1      40.239 -39.065 -48.033  0.00  0.00     0.046 C 
ATOM      7  C   UNL d   1      39.179 -41.321 -48.315  0.00  0.00     0.046 C 
ATOM      8  C   UNL d   1      39.202 -40.039 -43.667  0.00  0.00     0.010 A 
ATOM      9  C   UNL d   1      36.997 -38.880 -44.991  0.00  0.00     0.114 A 
ATOM     10  C   UNL d   1      38.160 -39.461 -42.939  0.00  0.00     0.003 A 
ATOM     11  C   UNL d   1      37.054 -38.894 -43.595  0.00  0.00     0.040 A 
ENDROOT
BRANCH   9  12
ATOM     12  O   UNL d   1      35.908 -38.367 -45.724  0.00  0.00    -0.259 OA
BRANCH  12  13
ATOM     13  C   UNL d   1      35.399 -37.097 -45.478  0.00  0.00     0.365 C 
ATOM     14  O   UNL d   1      34.691 -36.770 -44.534  0.00  0.00    -0.238 OA
ATOM     15  N   UNL d   1      35.756 -36.170 -46.418  0.00  0.00    -0.341 N 
ATOM     16  C   UNL d   1      36.621 -36.365 -47.554  0.00  0.00     0.151 C 
ATOM     17  H   UNL d   1      35.372 -35.250 -46.245  0.00  0.00     0.164 HD
ENDBRANCH  12  13
ENDBRANCH   9  12
TORSDOF 2