REMARK VINA RESULT: -5.0 2.697 4.145 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 -2.557 13.440 -16.662 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -3.629 14.258 -17.212 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -4.272 15.087 -16.076 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -3.636 14.459 -14.897 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -2.671 13.550 -15.301 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -4.647 13.310 -17.857 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -3.012 15.167 -18.277 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -3.864 14.710 -13.554 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -1.908 12.852 -14.379 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -3.092 14.025 -12.613 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -2.109 13.108 -13.020 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -0.919 11.978 -14.873 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -0.430 10.927 -14.107 0.00 0.00 0.365 C ATOM 14 O UNL d 1 0.462 10.992 -13.270 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -1.041 9.729 -14.363 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -2.136 9.483 -15.266 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -0.673 8.963 -13.815 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2