REMARK VINA RESULT: -7.5 1.509 2.177 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 1 113.024 87.068 51.919 0.00 0.00 0.055 A ATOM 2 C UNL d 1 112.759 87.404 50.583 0.00 0.00 0.055 A ATOM 3 C UNL d 1 113.855 87.888 52.698 0.00 0.00 0.018 A ATOM 4 C UNL d 1 113.390 88.526 50.024 0.00 0.00 0.018 A ATOM 5 C UNL d 1 114.461 89.012 52.134 0.00 0.00 0.001 A ATOM 6 C UNL d 1 114.241 89.323 50.795 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 111.863 86.618 49.702 0.00 0.00 0.294 C ATOM 8 O UNL d 1 110.649 86.752 49.706 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 112.578 85.723 48.981 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 111.840 84.611 48.449 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 111.889 83.500 49.461 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 110.703 83.004 50.017 0.00 0.00 0.009 A ATOM 13 C UNL d 1 110.747 82.147 51.114 0.00 0.00 0.001 A ATOM 14 C UNL d 1 111.975 81.770 51.655 0.00 0.00 0.000 A ATOM 15 C UNL d 1 113.161 82.208 51.068 0.00 0.00 0.001 A ATOM 16 C UNL d 1 113.120 83.064 49.969 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 1 112.553 85.812 52.549 0.00 0.00 0.294 C ATOM 18 O UNL d 1 111.444 85.342 52.380 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 113.498 85.409 53.425 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 113.067 84.972 54.721 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 113.720 85.882 55.757 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 115.228 85.990 55.517 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 115.772 87.369 55.842 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9