REMARK VINA RESULT: -4.9 2.408 5.365 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 -0.761 -3.604 6.015 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -1.299 -2.340 6.497 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -2.426 -2.621 7.518 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -2.592 -4.080 7.334 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -1.613 -4.570 6.484 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -1.825 -1.569 5.282 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -0.146 -1.570 7.146 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -3.521 -4.925 7.918 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -1.534 -5.918 6.179 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -3.445 -6.290 7.631 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -2.449 -6.790 6.775 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -0.484 -6.341 5.340 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 0.728 -6.783 5.858 0.00 0.00 0.365 C ATOM 14 O UNL d 1 0.877 -7.590 6.768 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 1.821 -6.223 5.256 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 1.832 -5.306 4.144 0.00 0.00 0.151 C ATOM 17 H UNL d 1 2.701 -6.535 5.645 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2