REMARK VINA RESULT: -6.2 1.726 5.193 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 -5.550 -3.047 0.073 0.00 0.00 0.055 A ATOM 2 C UNL d 1 -4.665 -3.245 -0.999 0.00 0.00 0.055 A ATOM 3 C UNL d 1 -5.891 -4.121 0.908 0.00 0.00 0.018 A ATOM 4 C UNL d 1 -4.188 -4.538 -1.259 0.00 0.00 0.018 A ATOM 5 C UNL d 1 -5.394 -5.399 0.650 0.00 0.00 0.001 A ATOM 6 C UNL d 1 -4.555 -5.612 -0.441 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 -4.220 -2.160 -1.906 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -4.607 -2.065 -3.061 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -3.307 -1.375 -1.289 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 -2.007 -1.955 -1.095 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 -1.767 -2.061 0.385 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 -1.393 -3.287 0.950 0.00 0.00 0.009 A ATOM 13 C UNL d 1 -1.394 -3.452 2.333 0.00 0.00 0.001 A ATOM 14 C UNL d 1 -1.758 -2.392 3.160 0.00 0.00 0.000 A ATOM 15 C UNL d 1 -2.070 -1.150 2.610 0.00 0.00 0.001 A ATOM 16 C UNL d 1 -2.067 -0.982 1.226 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 -6.247 -1.763 0.322 0.00 0.00 0.294 C ATOM 18 O UNL d 1 -7.181 -1.357 -0.343 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 -5.563 -1.102 1.281 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 -6.236 -0.837 2.520 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 -5.363 -1.382 3.646 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 -5.973 -2.650 4.247 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 -4.931 -3.712 4.550 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9