REMARK VINA RESULT: -3.0 2.688 4.856 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 -3.531 -17.066 3.838 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -4.180 -15.885 3.286 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -3.532 -14.617 3.888 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -2.699 -15.224 4.950 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -2.735 -16.607 4.856 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -5.669 -15.972 3.637 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -3.997 -15.930 1.767 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -1.925 -14.594 5.909 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -2.008 -17.407 5.721 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -1.173 -15.387 6.780 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -1.204 -16.788 6.681 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -2.066 -18.802 5.530 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -2.887 -19.610 6.308 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -3.995 -19.315 6.741 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -2.349 -20.837 6.585 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -1.094 -21.367 6.115 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -2.943 -21.416 7.163 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2