REMARK VINA RESULT: -7.6 2.007 4.689 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 1 113.258 88.066 53.210 0.00 0.00 0.055 A ATOM 2 C UNL d 1 113.401 87.297 54.375 0.00 0.00 0.055 A ATOM 3 C UNL d 1 114.380 88.676 52.630 0.00 0.00 0.018 A ATOM 4 C UNL d 1 114.662 87.207 54.983 0.00 0.00 0.018 A ATOM 5 C UNL d 1 115.633 88.563 53.235 0.00 0.00 0.001 A ATOM 6 C UNL d 1 115.772 87.842 54.418 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 112.277 86.586 55.031 0.00 0.00 0.294 C ATOM 8 O UNL d 1 111.446 87.158 55.720 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 112.367 85.254 54.806 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 111.195 84.629 54.257 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 111.596 83.943 52.981 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 110.758 82.977 52.410 0.00 0.00 0.009 A ATOM 13 C UNL d 1 111.218 82.177 51.366 0.00 0.00 0.001 A ATOM 14 C UNL d 1 112.513 82.344 50.880 0.00 0.00 0.000 A ATOM 15 C UNL d 1 113.331 83.346 51.399 0.00 0.00 0.001 A ATOM 16 C UNL d 1 112.872 84.149 52.441 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 1 111.944 88.369 52.595 0.00 0.00 0.294 C ATOM 18 O UNL d 1 111.246 89.313 52.913 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 111.629 87.346 51.771 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 111.639 87.597 50.359 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 112.801 86.812 49.758 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 112.301 85.797 48.727 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 110.978 85.168 49.122 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9