REMARK VINA RESULT: 12.2 1.529 2.435 REMARK 4 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_14 REMARK 2 A between atoms: O_2 and C_15 REMARK 3 A between atoms: C_3 and C_4 REMARK 4 A between atoms: C_3 and C_5 ROOT ATOM 1 C UNL d 1 20.843 -4.835 1.953 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 21.816 -4.595 0.816 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 23.065 -4.001 1.052 0.00 0.00 0.010 A ATOM 4 C UNL d 1 23.941 -3.732 -0.006 0.00 0.00 0.037 A ATOM 5 C UNL d 1 23.562 -4.052 -1.305 0.00 0.00 0.065 A ATOM 6 C UNL d 1 22.336 -4.649 -1.560 0.00 0.00 0.037 A ATOM 7 C UNL d 1 21.464 -4.924 -0.503 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 24.372 -3.790 -2.369 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 23.847 -3.868 -3.184 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 20.446 -6.287 2.103 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 19.130 -6.699 1.838 0.00 0.00 0.010 A ATOM 12 C UNL d 1 18.736 -8.021 2.066 0.00 0.00 0.037 A ATOM 13 C UNL d 1 19.661 -8.939 2.548 0.00 0.00 0.065 A ATOM 14 C UNL d 1 20.980 -8.563 2.777 0.00 0.00 0.037 A ATOM 15 C UNL d 1 21.370 -7.240 2.561 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 19.310 -10.231 2.811 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 18.565 -10.467 2.234 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4