REMARK VINA RESULT: -4.7 2.399 4.988 REMARK 2 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_2 and C_12 REMARK 2 A between atoms: O_2 and C_15 REMARK I between atoms: N_4 and C_15 ROOT ATOM 1 O UNL d 1 -3.308 2.950 9.333 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -4.730 2.994 9.025 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -5.387 1.661 9.453 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -4.183 0.859 9.759 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -3.047 1.651 9.684 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -4.868 3.225 7.516 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -5.329 4.176 9.792 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -4.101 -0.474 10.125 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -1.792 1.138 9.962 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -2.843 -1.003 10.423 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -1.692 -0.200 10.354 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -0.694 2.020 9.904 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 0.162 2.187 10.986 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -0.110 2.729 12.050 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 1.416 1.679 10.778 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 1.889 0.967 9.619 0.00 0.00 0.151 C ATOM 17 H UNL d 1 2.041 1.815 11.561 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2