REMARK VINA RESULT: -3.8 2.520 5.464 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 21.227 -33.009 1.233 0.00 0.00 0.055 C ATOM 2 C UNL d 1 21.190 -31.745 1.838 0.00 0.00 0.055 C ATOM 3 C UNL d 1 20.814 -34.138 1.964 0.00 0.00 0.018 C ATOM 4 C UNL d 1 20.927 -31.652 3.213 0.00 0.00 0.018 C ATOM 5 C UNL d 1 20.493 -34.027 3.317 0.00 0.00 0.001 C ATOM 6 C UNL d 1 20.598 -32.792 3.952 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 21.864 -33.287 -0.079 0.00 0.00 0.294 C ATOM 8 O UNL d 1 23.073 -33.278 -0.236 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 20.920 -33.271 -1.053 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 21.201 -32.544 -2.267 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 20.435 -33.047 -3.488 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 19.223 -32.198 -3.863 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 19.532 -30.716 -4.064 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 21.415 -30.491 1.096 0.00 0.00 0.294 C ATOM 15 O UNL d 1 22.516 -30.091 0.759 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 20.238 -29.824 0.963 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 19.633 -29.834 -0.343 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 18.434 -30.779 -0.422 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 17.226 -30.163 -1.127 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 17.460 -28.697 -1.469 0.00 0.00 0.005 C ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 2 14 TORSDOF 10