REMARK VINA RESULT: -3.9 1.585 5.399 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 18.745 -30.255 -1.079 0.00 0.00 0.055 C ATOM 2 C UNL d 1 18.977 -30.936 -2.281 0.00 0.00 0.055 C ATOM 3 C UNL d 1 17.894 -29.135 -1.073 0.00 0.00 0.018 C ATOM 4 C UNL d 1 18.514 -30.382 -3.483 0.00 0.00 0.018 C ATOM 5 C UNL d 1 17.385 -28.625 -2.267 0.00 0.00 0.001 C ATOM 6 C UNL d 1 17.737 -29.219 -3.476 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 19.493 -30.504 0.180 0.00 0.00 0.294 C ATOM 8 O UNL d 1 19.174 -31.376 0.970 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 20.350 -29.479 0.406 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 21.688 -29.573 -0.127 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 22.570 -30.602 0.575 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 22.829 -31.867 -0.240 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 22.169 -33.124 0.323 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 19.691 -32.225 -2.351 0.00 0.00 0.294 C ATOM 15 O UNL d 1 20.760 -32.378 -2.917 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 18.923 -33.200 -1.798 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 18.105 -33.969 -2.699 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 16.621 -33.903 -2.339 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 15.853 -32.851 -3.139 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 15.264 -31.775 -2.236 0.00 0.00 0.005 C ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 2 14 TORSDOF 10