REMARK VINA RESULT: -6.8 0.929 1.415 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 -4.518 -3.271 1.007 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -4.587 -3.273 -0.448 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -5.199 -1.938 -0.931 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -5.660 -1.376 0.357 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -5.231 -2.171 1.408 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -5.450 -4.468 -0.866 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -3.160 -3.449 -0.973 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -6.373 -0.211 0.588 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -5.507 -1.838 2.723 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -6.647 0.146 1.910 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -6.207 -0.656 2.976 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -4.998 -2.678 3.735 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -4.247 -2.173 4.789 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -3.132 -1.671 4.711 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -4.865 -2.279 6.005 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -6.186 -2.788 6.272 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -4.310 -1.925 6.773 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2