REMARK VINA RESULT: -4.2 0.000 0.000 REMARK 10 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_9 REMARK 2 A between atoms: O_1 and C_15 REMARK 3 A between atoms: O_2 and C_10 REMARK 4 A between atoms: O_2 and C_16 REMARK 5 A between atoms: C_5 and C_7 REMARK 6 A between atoms: C_5 and C_9 REMARK 7 A between atoms: C_6 and C_8 REMARK 8 A between atoms: C_6 and C_10 REMARK 9 A between atoms: C_11 and C_15 REMARK 10 A between atoms: C_12 and C_16 ROOT ATOM 1 C UNL d 1 5.049 -4.056 9.942 0.00 0.00 0.055 C ATOM 2 C UNL d 1 6.014 -4.511 9.033 0.00 0.00 0.055 C ATOM 3 C UNL d 1 3.814 -3.584 9.459 0.00 0.00 0.018 C ATOM 4 C UNL d 1 5.810 -4.313 7.660 0.00 0.00 0.018 C ATOM 5 C UNL d 1 3.594 -3.449 8.088 0.00 0.00 0.001 C ATOM 6 C UNL d 1 4.611 -3.766 7.192 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 5.299 -3.842 11.390 0.00 0.00 0.294 C ATOM 8 O UNL d 1 6.270 -3.231 11.803 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 4.472 -4.634 12.114 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 4.101 -4.207 13.441 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 4.155 -5.313 14.492 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 4.132 -6.727 13.916 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 4.627 -7.805 14.878 0.00 0.00 0.005 C ENDBRANCH 11 12 ENDBRANCH 10 11 ENDBRANCH 9 10 ENDBRANCH 7 9 ENDBRANCH 1 7 BRANCH 2 14 ATOM 14 C UNL d 1 7.250 -5.200 9.451 0.00 0.00 0.294 C ATOM 15 O UNL d 1 7.316 -5.951 10.408 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 8.288 -4.774 8.684 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 9.610 -5.124 9.132 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 10.308 -3.967 9.847 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 9.671 -3.617 11.192 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 10.457 -2.537 11.924 0.00 0.00 0.005 C ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 2 14 TORSDOF 10