REMARK VINA RESULT: -1.4 2.402 5.129 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 31.989 2.189 -42.743 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 30.768 1.969 -43.504 0.00 0.00 0.065 C ATOM 3 C UNL d 1 29.975 3.293 -43.591 0.00 0.00 0.079 C ATOM 4 C UNL d 1 30.735 4.121 -42.628 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 31.864 3.441 -42.199 0.00 0.00 0.110 A ATOM 6 C UNL d 1 29.964 0.883 -42.780 0.00 0.00 0.046 C ATOM 7 C UNL d 1 31.177 1.478 -44.895 0.00 0.00 0.046 C ATOM 8 C UNL d 1 30.468 5.409 -42.195 0.00 0.00 0.010 A ATOM 9 C UNL d 1 32.760 4.019 -41.316 0.00 0.00 0.114 A ATOM 10 C UNL d 1 31.371 6.012 -41.316 0.00 0.00 0.003 A ATOM 11 C UNL d 1 32.520 5.327 -40.886 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 33.906 3.278 -40.964 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 33.824 2.156 -40.148 0.00 0.00 0.365 C ATOM 14 O UNL d 1 33.336 2.109 -39.025 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 34.359 1.028 -40.708 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 34.920 0.890 -42.028 0.00 0.00 0.151 C ATOM 17 H UNL d 1 34.311 0.217 -40.106 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2