REMARK VINA RESULT: -5.5 2.675 3.907 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 1.650 -6.516 5.209 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 1.820 -7.772 5.927 0.00 0.00 0.065 C ATOM 3 C UNL d 1 0.462 -8.206 6.524 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -0.337 -6.985 6.281 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 0.390 -6.079 5.525 0.00 0.00 0.110 A ATOM 6 C UNL d 1 2.864 -7.537 7.024 0.00 0.00 0.046 C ATOM 7 C UNL d 1 2.339 -8.805 4.924 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -1.639 -6.712 6.667 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -0.153 -4.866 5.136 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -2.206 -5.499 6.269 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -1.473 -4.583 5.496 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 0.637 -4.021 4.332 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 1.695 -3.293 4.862 0.00 0.00 0.365 C ATOM 14 O UNL d 1 2.878 -3.610 4.838 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 1.314 -2.121 5.456 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -0.015 -1.569 5.526 0.00 0.00 0.151 C ATOM 17 H UNL d 1 2.085 -1.600 5.854 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2