REMARK VINA RESULT: -5.6 1.491 1.754 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 11.429 2.096 -9.463 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 12.362 1.444 -8.555 0.00 0.00 0.065 C ATOM 3 C UNL d 1 13.321 2.502 -7.962 0.00 0.00 0.079 C ATOM 4 C UNL d 1 12.982 3.670 -8.806 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 11.899 3.374 -9.619 0.00 0.00 0.110 A ATOM 6 C UNL d 1 13.126 0.387 -9.361 0.00 0.00 0.046 C ATOM 7 C UNL d 1 11.537 0.770 -7.457 0.00 0.00 0.046 C ATOM 8 C UNL d 1 13.565 4.926 -8.820 0.00 0.00 0.010 A ATOM 9 C UNL d 1 11.368 4.318 -10.482 0.00 0.00 0.114 A ATOM 10 C UNL d 1 13.030 5.894 -9.673 0.00 0.00 0.003 A ATOM 11 C UNL d 1 11.929 5.598 -10.493 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 10.240 3.951 -11.243 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 10.357 3.540 -12.565 0.00 0.00 0.365 C ATOM 14 O UNL d 1 10.662 2.418 -12.952 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 10.099 4.529 -13.474 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 9.676 5.879 -13.200 0.00 0.00 0.151 C ATOM 17 H UNL d 1 10.199 4.230 -14.435 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2