REMARK VINA RESULT: -8.1 1.304 2.020 REMARK 4 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_14 REMARK 2 A between atoms: O_2 and C_15 REMARK 3 A between atoms: C_3 and C_4 REMARK 4 A between atoms: C_3 and C_5 ROOT ATOM 1 C UNL d 1 -1.147 -4.700 4.804 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 0.005 -5.605 5.189 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 -0.171 -6.636 6.124 0.00 0.00 0.010 A ATOM 4 C UNL d 1 0.906 -7.438 6.517 0.00 0.00 0.037 A ATOM 5 C UNL d 1 2.166 -7.202 5.978 0.00 0.00 0.065 A ATOM 6 C UNL d 1 2.360 -6.196 5.043 0.00 0.00 0.037 A ATOM 7 C UNL d 1 1.284 -5.400 4.645 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 3.249 -7.943 6.346 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 3.598 -8.393 5.559 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 -1.942 -4.206 5.993 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 -2.910 -5.025 6.595 0.00 0.00 0.010 A ATOM 12 C UNL d 1 -3.711 -4.540 7.633 0.00 0.00 0.037 A ATOM 13 C UNL d 1 -3.538 -3.235 8.079 0.00 0.00 0.065 A ATOM 14 C UNL d 1 -2.558 -2.420 7.526 0.00 0.00 0.037 A ATOM 15 C UNL d 1 -1.766 -2.902 6.481 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 -4.319 -2.714 9.070 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 -3.811 -2.729 9.897 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4