REMARK VINA RESULT: -5.6 1.693 2.256 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 -4.671 -2.361 1.566 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -5.907 -2.601 2.296 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -5.621 -2.551 3.815 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -4.142 -2.522 3.805 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -3.674 -2.402 2.506 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -6.433 -3.977 1.873 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -6.901 -1.512 1.885 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -3.268 -2.553 4.879 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -2.319 -2.320 2.233 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -1.899 -2.456 4.622 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -1.423 -2.328 3.306 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -1.928 -2.157 0.889 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -2.461 -1.150 0.093 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -2.430 0.052 0.326 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -3.070 -1.611 -1.042 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -3.151 -2.975 -1.498 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -3.470 -0.877 -1.612 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2