REMARK VINA RESULT: -7.1 1.731 6.028 REMARK 9 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_7 REMARK 2 A between atoms: O_1 and C_11 REMARK 3 A between atoms: O_2 and C_13 REMARK 4 A between atoms: O_2 and C_16 REMARK 5 A between atoms: C_5 and C_6 REMARK 6 A between atoms: C_5 and C_7 REMARK 7 A between atoms: C_8 and C_11 REMARK 8 A between atoms: C_9 and C_16 REMARK 9 A between atoms: C_13 and C_14 ROOT ATOM 1 C UNL d 1 -4.093 -1.947 5.015 0.00 0.00 0.055 A ATOM 2 C UNL d 1 -4.392 -0.673 4.506 0.00 0.00 0.055 A ATOM 3 C UNL d 1 -5.081 -2.686 5.681 0.00 0.00 0.018 A ATOM 4 C UNL d 1 -5.664 -0.129 4.735 0.00 0.00 0.018 A ATOM 5 C UNL d 1 -6.349 -2.140 5.886 0.00 0.00 0.001 A ATOM 6 C UNL d 1 -6.637 -0.857 5.427 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 -3.421 0.158 3.756 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -3.688 0.680 2.683 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -2.228 0.181 4.394 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 -1.235 1.060 3.841 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 -0.471 0.291 2.799 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 -0.497 0.706 1.461 0.00 0.00 0.009 A ATOM 13 C UNL d 1 0.009 -0.120 0.460 0.00 0.00 0.001 A ATOM 14 C UNL d 1 0.555 -1.359 0.790 0.00 0.00 0.000 A ATOM 15 C UNL d 1 0.644 -1.752 2.124 0.00 0.00 0.001 A ATOM 16 C UNL d 1 0.139 -0.926 3.128 0.00 0.00 0.009 A ENDBRANCH 10 11 ENDBRANCH 9 10 ENDBRANCH 7 9 ENDBRANCH 2 7 BRANCH 1 17 ATOM 17 C UNL d 1 -2.732 -2.534 4.983 0.00 0.00 0.294 C ATOM 18 O UNL d 1 -2.300 -3.198 4.061 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 -2.166 -2.327 6.191 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 -1.188 -3.274 6.643 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 -0.154 -2.514 7.469 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 0.518 -1.423 6.632 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 0.221 -0.027 7.147 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9