REMARK VINA RESULT: -7.2 1.650 3.826 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 -0.874 -0.336 4.879 0.00 0.00 0.055 A ATOM 2 C UNL d 1 -1.202 0.722 4.016 0.00 0.00 0.055 A ATOM 3 C UNL d 1 0.029 -0.128 5.932 0.00 0.00 0.018 A ATOM 4 C UNL d 1 -0.564 1.960 4.183 0.00 0.00 0.018 A ATOM 5 C UNL d 1 0.642 1.114 6.098 0.00 0.00 0.001 A ATOM 6 C UNL d 1 0.358 2.154 5.216 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 -2.174 0.601 2.904 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -1.840 0.324 1.762 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -3.421 0.905 3.333 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 -4.202 -0.196 3.826 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 -5.585 0.316 4.117 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 -6.122 1.361 3.353 0.00 0.00 0.009 A ATOM 13 C UNL d 1 -7.296 1.994 3.756 0.00 0.00 0.001 A ATOM 14 C UNL d 1 -7.946 1.579 4.917 0.00 0.00 0.000 A ATOM 15 C UNL d 1 -7.455 0.499 5.647 0.00 0.00 0.001 A ATOM 16 C UNL d 1 -6.281 -0.137 5.245 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 -1.354 -1.724 4.678 0.00 0.00 0.294 C ATOM 18 O UNL d 1 -1.159 -2.371 3.668 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 -2.146 -2.041 5.725 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 -1.899 -3.282 6.401 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 -3.114 -4.177 6.184 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 -4.333 -3.352 5.764 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 -4.854 -3.738 4.391 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9