REMARK VINA RESULT: -6.7 2.190 5.850 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 -6.498 -2.276 -2.151 0.00 0.00 0.055 A ATOM 2 C UNL d 1 -7.186 -2.720 -1.011 0.00 0.00 0.055 A ATOM 3 C UNL d 1 -5.862 -3.201 -2.992 0.00 0.00 0.018 A ATOM 4 C UNL d 1 -7.167 -4.086 -0.693 0.00 0.00 0.018 A ATOM 5 C UNL d 1 -5.867 -4.560 -2.674 0.00 0.00 0.001 A ATOM 6 C UNL d 1 -6.505 -5.001 -1.518 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 -7.918 -1.817 -0.091 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -8.950 -1.245 -0.409 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -7.244 -1.686 1.075 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 -7.951 -2.090 2.259 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 -7.100 -3.097 2.981 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 -7.248 -4.463 2.712 0.00 0.00 0.009 A ATOM 13 C UNL d 1 -6.638 -5.411 3.531 0.00 0.00 0.001 A ATOM 14 C UNL d 1 -5.867 -4.998 4.616 0.00 0.00 0.000 A ATOM 15 C UNL d 1 -5.661 -3.641 4.853 0.00 0.00 0.001 A ATOM 16 C UNL d 1 -6.269 -2.691 4.034 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 -6.307 -0.842 -2.475 0.00 0.00 0.294 C ATOM 18 O UNL d 1 -7.013 -0.220 -3.246 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 -5.156 -0.438 -1.896 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 -4.093 -1.394 -1.781 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 -3.789 -1.571 -0.297 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 -3.153 -2.937 -0.028 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 -3.974 -3.785 0.927 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9