REMARK VINA RESULT: -5.7 0.125 1.253 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 31.100 5.381 -41.650 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 31.139 4.057 -42.385 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 32.065 3.064 -42.030 0.00 0.00 0.010 A ATOM 4 C UNL d 1 32.134 1.862 -42.744 0.00 0.00 0.037 A ATOM 5 C UNL d 1 31.280 1.657 -43.822 0.00 0.00 0.065 A ATOM 6 C UNL d 1 30.350 2.621 -44.184 0.00 0.00 0.037 A ATOM 7 C UNL d 1 30.275 3.818 -43.466 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 31.325 0.512 -44.560 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 32.109 0.545 -45.134 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 30.221 6.412 -42.323 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 30.722 7.688 -42.629 0.00 0.00 0.010 A ATOM 12 C UNL d 1 29.888 8.674 -43.163 0.00 0.00 0.037 A ATOM 13 C UNL d 1 28.551 8.383 -43.406 0.00 0.00 0.065 A ATOM 14 C UNL d 1 28.043 7.115 -43.150 0.00 0.00 0.037 A ATOM 15 C UNL d 1 28.874 6.133 -42.604 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 27.697 9.325 -43.900 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 27.840 9.393 -44.858 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4