REMARK VINA RESULT: -7.7 0.456 5.846 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 1 112.716 85.483 49.211 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 113.076 86.674 50.075 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 112.872 87.984 49.615 0.00 0.00 0.010 A ATOM 4 C UNL d 1 113.253 89.083 50.394 0.00 0.00 0.037 A ATOM 5 C UNL d 1 113.848 88.870 51.632 0.00 0.00 0.065 A ATOM 6 C UNL d 1 114.049 87.583 52.111 0.00 0.00 0.037 A ATOM 7 C UNL d 1 113.662 86.486 51.337 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 114.256 89.908 52.416 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 113.663 89.967 53.184 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 112.164 84.316 50.001 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 112.944 83.168 50.216 0.00 0.00 0.010 A ATOM 12 C UNL d 1 112.407 82.051 50.864 0.00 0.00 0.037 A ATOM 13 C UNL d 1 111.091 82.085 51.310 0.00 0.00 0.065 A ATOM 14 C UNL d 1 110.315 83.226 51.145 0.00 0.00 0.037 A ATOM 15 C UNL d 1 110.848 84.337 50.487 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 110.520 81.006 51.921 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 110.428 81.206 52.867 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4