REMARK VINA RESULT: -6.3 2.830 4.992 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 -17.352 20.229 -26.063 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -16.858 20.394 -24.704 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -18.054 20.418 -23.725 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -19.179 20.507 -24.683 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -18.712 20.381 -25.982 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -16.071 21.708 -24.656 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -15.927 19.215 -24.409 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -20.531 20.644 -24.419 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -19.577 20.399 -27.063 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -21.418 20.648 -25.498 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -20.947 20.515 -26.815 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -19.027 20.222 -28.348 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -18.576 21.300 -29.101 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -17.540 21.929 -28.920 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -19.414 21.644 -30.126 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -20.635 20.985 -30.515 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -19.091 22.438 -30.663 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2