REMARK VINA RESULT: -5.3 2.886 5.015 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 -1.402 -4.401 5.972 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -2.329 -5.116 6.837 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -1.660 -6.417 7.338 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -0.452 -6.439 6.484 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -0.363 -5.267 5.749 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -3.588 -5.416 6.017 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -2.674 -4.189 8.005 0.00 0.00 0.046 C ATOM 8 C UNL d 1 0.529 -7.413 6.396 0.00 0.00 0.010 A ATOM 9 C UNL d 1 0.701 -5.031 4.895 0.00 0.00 0.114 A ATOM 10 C UNL d 1 1.617 -7.182 5.551 0.00 0.00 0.003 A ATOM 11 C UNL d 1 1.711 -5.992 4.811 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 0.738 -3.795 4.218 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 1.705 -2.839 4.501 0.00 0.00 0.365 C ATOM 14 O UNL d 1 2.879 -2.868 4.151 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 1.241 -1.791 5.247 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -0.111 -1.568 5.695 0.00 0.00 0.151 C ATOM 17 H UNL d 1 1.950 -1.104 5.464 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2