REMARK VINA RESULT: -6.3 1.921 3.359 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 -2.070 -1.004 4.526 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -1.417 -0.090 3.599 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -2.439 0.965 3.118 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -3.690 0.387 3.655 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -3.407 -0.713 4.449 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -0.883 -0.925 2.430 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -0.254 0.567 4.347 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -4.991 0.832 3.488 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -4.412 -1.413 5.095 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -6.014 0.147 4.146 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -5.729 -0.964 4.957 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -4.037 -2.493 5.918 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -3.814 -3.762 5.397 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -4.489 -4.325 4.544 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -2.723 -4.392 5.931 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -1.793 -3.862 6.895 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -2.572 -5.321 5.560 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2