REMARK VINA RESULT: -7.1 1.830 5.961 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 -4.561 -0.295 4.376 0.00 0.00 0.055 A ATOM 2 C UNL d 1 -4.313 0.668 3.386 0.00 0.00 0.055 A ATOM 3 C UNL d 1 -5.853 -0.446 4.900 0.00 0.00 0.018 A ATOM 4 C UNL d 1 -5.355 1.516 2.983 0.00 0.00 0.018 A ATOM 5 C UNL d 1 -6.886 0.392 4.477 0.00 0.00 0.001 A ATOM 6 C UNL d 1 -6.635 1.382 3.530 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 -2.988 0.867 2.750 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -2.735 0.486 1.618 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -2.132 1.451 3.620 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 -0.734 1.268 3.345 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 -0.128 0.539 4.512 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 0.208 -0.816 4.395 0.00 0.00 0.009 A ATOM 13 C UNL d 1 0.550 -1.554 5.526 0.00 0.00 0.001 A ATOM 14 C UNL d 1 0.570 -0.941 6.777 0.00 0.00 0.000 A ATOM 15 C UNL d 1 0.299 0.421 6.894 0.00 0.00 0.001 A ATOM 16 C UNL d 1 -0.041 1.162 5.764 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 -3.493 -1.115 4.996 0.00 0.00 0.294 C ATOM 18 O UNL d 1 -2.906 -0.808 6.016 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 -3.211 -2.131 4.152 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 -3.129 -3.454 4.701 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 -4.550 -3.993 4.823 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 -5.274 -3.936 3.475 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 -4.912 -5.098 2.569 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9