REMARK VINA RESULT: -2.4 2.820 5.347 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 -3.169 -16.101 6.153 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -3.675 -14.859 5.586 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -3.416 -14.851 4.062 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -2.536 -16.034 3.937 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -2.450 -16.698 5.150 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -2.948 -13.704 6.283 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -5.174 -14.794 5.891 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -1.889 -16.516 2.811 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -1.709 -17.860 5.285 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -1.150 -17.695 2.927 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -1.068 -18.374 4.155 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -1.709 -18.497 6.542 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -1.930 -19.864 6.664 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -1.072 -20.738 6.698 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -3.253 -20.202 6.748 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -4.383 -19.308 6.780 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -3.411 -21.198 6.822 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2