REMARK VINA RESULT: -6.2 2.101 4.676 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 -16.693 20.674 -24.590 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -15.270 20.965 -24.693 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -14.975 21.585 -26.078 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -16.272 21.359 -26.752 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -17.198 20.855 -25.852 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -14.515 19.646 -24.498 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -14.920 21.940 -23.566 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -16.624 21.625 -28.065 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -18.502 20.590 -26.233 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -17.940 21.377 -28.460 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -18.881 20.872 -27.548 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -19.392 20.119 -25.246 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -19.950 18.849 -25.316 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -19.706 17.994 -26.159 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -20.853 18.589 -24.321 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -21.217 19.450 -23.224 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -21.268 17.669 -24.383 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2