REMARK VINA RESULT: -4.9 1.224 1.643 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 -2.818 14.396 -14.927 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -4.204 14.051 -15.211 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -4.421 12.544 -14.937 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -3.021 12.106 -14.743 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -2.172 13.202 -14.736 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -4.473 14.396 -16.679 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -5.086 14.909 -14.301 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -2.535 10.825 -14.540 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -0.810 13.057 -14.537 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -1.165 10.664 -14.323 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -0.305 11.774 -14.308 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -0.023 14.225 -14.501 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 1.179 14.314 -15.192 0.00 0.00 0.365 C ATOM 14 O UNL d 1 2.286 14.004 -14.767 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 1.049 14.806 -16.462 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -0.171 15.166 -17.139 0.00 0.00 0.151 C ATOM 17 H UNL d 1 1.928 14.883 -16.957 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2