REMARK VINA RESULT: -4.2 2.114 2.757 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 -4.165 -16.041 5.023 0.00 0.00 0.055 A ATOM 2 C UNL d 1 -3.119 -16.542 4.233 0.00 0.00 0.055 A ATOM 3 C UNL d 1 -5.417 -15.779 4.447 0.00 0.00 0.018 A ATOM 4 C UNL d 1 -3.325 -16.708 2.856 0.00 0.00 0.018 A ATOM 5 C UNL d 1 -5.614 -15.967 3.078 0.00 0.00 0.001 A ATOM 6 C UNL d 1 -4.565 -16.417 2.280 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 -1.779 -16.883 4.768 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -0.866 -16.074 4.828 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -1.723 -18.195 5.095 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 -1.620 -18.490 6.497 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 -2.436 -19.724 6.769 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 -1.925 -20.988 6.446 0.00 0.00 0.009 A ATOM 13 C UNL d 1 -2.754 -22.108 6.477 0.00 0.00 0.001 A ATOM 14 C UNL d 1 -4.092 -21.974 6.840 0.00 0.00 0.000 A ATOM 15 C UNL d 1 -4.592 -20.731 7.224 0.00 0.00 0.001 A ATOM 16 C UNL d 1 -3.765 -19.609 7.196 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 -3.997 -15.662 6.447 0.00 0.00 0.294 C ATOM 18 O UNL d 1 -4.532 -16.243 7.372 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 -3.299 -14.507 6.486 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 -4.036 -13.283 6.608 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 -3.306 -12.220 5.794 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 -2.341 -12.863 4.795 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 -0.912 -12.384 4.972 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9