REMARK VINA RESULT: -6.4 3.083 4.878 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 -5.268 -0.018 5.490 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -6.623 -0.122 4.967 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -6.859 -1.559 4.445 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -5.481 -2.093 4.506 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -4.638 -1.177 5.117 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -6.764 0.910 3.843 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -7.583 0.214 6.111 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -5.011 -3.327 4.088 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -3.298 -1.457 5.323 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -3.665 -3.630 4.303 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -2.812 -2.706 4.928 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -2.520 -0.490 5.990 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -1.139 -0.608 6.087 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -0.523 -1.278 6.907 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -0.457 0.122 5.151 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -1.016 0.916 4.086 0.00 0.00 0.151 C ATOM 17 H UNL d 1 0.548 0.046 5.233 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2