REMARK VINA RESULT: -4.7 1.940 2.745 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 7.552 -8.310 -3.615 0.00 0.00 0.055 C ATOM 2 C UNL d 1 8.195 -8.229 -4.858 0.00 0.00 0.055 C ATOM 3 C UNL d 1 7.763 -9.438 -2.801 0.00 0.00 0.018 C ATOM 4 C UNL d 1 8.879 -9.350 -5.350 0.00 0.00 0.018 C ATOM 5 C UNL d 1 8.499 -10.525 -3.273 0.00 0.00 0.001 C ATOM 6 C UNL d 1 9.014 -10.500 -4.566 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 6.491 -7.376 -3.161 0.00 0.00 0.294 C ATOM 8 O UNL d 1 5.451 -7.216 -3.777 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 6.977 -6.586 -2.173 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 6.042 -5.992 -1.247 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 5.183 -7.002 -0.493 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 3.757 -6.531 -0.216 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 2.986 -6.095 -1.460 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 8.190 -7.010 -5.688 0.00 0.00 0.294 C ATOM 15 O UNL d 1 8.896 -6.040 -5.471 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 7.216 -7.105 -6.630 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 7.515 -6.561 -7.929 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 6.651 -5.346 -8.265 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 7.262 -4.024 -7.799 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 6.348 -2.844 -8.101 0.00 0.00 0.005 C ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 2 14 TORSDOF 10