REMARK VINA RESULT: -6.3 2.685 4.141 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 -18.514 20.373 -26.328 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -19.291 20.230 -25.105 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -18.329 20.121 -23.900 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -17.037 19.967 -24.605 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -17.213 20.132 -25.969 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -20.150 18.970 -25.249 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -20.188 21.465 -24.985 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -15.780 19.739 -24.069 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -16.145 20.066 -26.847 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -14.690 19.686 -24.940 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -14.866 19.860 -26.323 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -16.403 20.288 -28.215 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -15.596 21.119 -28.982 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -14.966 22.091 -28.581 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -15.544 20.769 -30.304 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -16.172 19.635 -30.932 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -14.968 21.385 -30.862 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2