REMARK VINA RESULT: -5.6 2.425 4.797 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 -5.001 -2.405 3.025 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -5.976 -1.859 3.958 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -7.318 -1.638 3.223 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -6.895 -1.867 1.824 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -5.582 -2.309 1.787 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -5.410 -0.540 4.495 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -6.131 -2.865 5.100 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -7.638 -1.736 0.662 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -4.962 -2.625 0.590 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -7.031 -2.066 -0.552 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -5.702 -2.520 -0.590 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -3.639 -3.108 0.643 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -2.649 -2.613 -0.198 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -2.160 -1.490 -0.161 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -2.224 -3.512 -1.137 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -2.646 -4.882 -1.289 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -1.515 -3.144 -1.757 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2