REMARK VINA RESULT: -6.5 1.652 3.025 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 30.975 77.044 103.292 0.00 0.00 0.055 A ATOM 2 C UNL d 1 30.615 77.274 104.629 0.00 0.00 0.055 A ATOM 3 C UNL d 1 30.006 77.122 102.281 0.00 0.00 0.018 A ATOM 4 C UNL d 1 29.268 77.512 104.941 0.00 0.00 0.018 A ATOM 5 C UNL d 1 28.672 77.379 102.603 0.00 0.00 0.001 A ATOM 6 C UNL d 1 28.300 77.559 103.933 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 31.581 77.251 105.753 0.00 0.00 0.294 C ATOM 8 O UNL d 1 32.259 78.219 106.062 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 31.631 76.016 106.305 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 32.593 75.835 107.357 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 33.512 74.717 106.950 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 33.214 73.936 105.826 0.00 0.00 0.009 A ATOM 13 C UNL d 1 33.924 72.764 105.577 0.00 0.00 0.001 A ATOM 14 C UNL d 1 34.943 72.371 106.442 0.00 0.00 0.000 A ATOM 15 C UNL d 1 35.289 73.174 107.527 0.00 0.00 0.001 A ATOM 16 C UNL d 1 34.581 74.349 107.777 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 32.331 76.609 102.880 0.00 0.00 0.294 C ATOM 18 O UNL d 1 32.678 75.446 102.805 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 33.102 77.712 102.773 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 34.504 77.528 102.528 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 35.253 77.952 103.787 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 35.270 76.823 104.820 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 36.244 77.084 105.954 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9