REMARK VINA RESULT: -5.6 2.928 4.752 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 9.188 -15.995 6.200 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 9.796 -14.846 6.856 0.00 0.00 0.065 C ATOM 3 C UNL d 1 10.080 -13.750 5.804 0.00 0.00 0.079 C ATOM 4 C UNL d 1 9.815 -14.502 4.558 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 9.302 -15.755 4.855 0.00 0.00 0.110 A ATOM 6 C UNL d 1 11.088 -15.328 7.524 0.00 0.00 0.046 C ATOM 7 C UNL d 1 8.811 -14.351 7.917 0.00 0.00 0.046 C ATOM 8 C UNL d 1 9.974 -14.088 3.246 0.00 0.00 0.010 A ATOM 9 C UNL d 1 8.941 -16.642 3.855 0.00 0.00 0.114 A ATOM 10 C UNL d 1 9.599 -14.965 2.225 0.00 0.00 0.003 A ATOM 11 C UNL d 1 9.073 -16.233 2.525 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 8.388 -17.879 4.241 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 7.157 -18.308 3.760 0.00 0.00 0.365 C ATOM 14 O UNL d 1 6.914 -18.681 2.618 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 6.161 -18.285 4.697 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 6.279 -17.931 6.089 0.00 0.00 0.151 C ATOM 17 H UNL d 1 5.263 -18.583 4.340 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2