REMARK VINA RESULT: -4.9 2.159 5.039 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 5.475 -6.920 -3.138 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 4.839 -7.589 -2.012 0.00 0.00 0.065 C ATOM 3 C UNL d 1 5.740 -8.749 -1.532 0.00 0.00 0.079 C ATOM 4 C UNL d 1 6.735 -8.782 -2.627 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 6.533 -7.716 -3.490 0.00 0.00 0.110 A ATOM 6 C UNL d 1 3.476 -8.101 -2.491 0.00 0.00 0.046 C ATOM 7 C UNL d 1 4.647 -6.545 -0.908 0.00 0.00 0.046 C ATOM 8 C UNL d 1 7.778 -9.672 -2.823 0.00 0.00 0.010 A ATOM 9 C UNL d 1 7.359 -7.507 -4.582 0.00 0.00 0.114 A ATOM 10 C UNL d 1 8.628 -9.466 -3.911 0.00 0.00 0.003 A ATOM 11 C UNL d 1 8.430 -8.382 -4.783 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 7.112 -6.375 -5.385 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 7.173 -6.440 -6.771 0.00 0.00 0.365 C ATOM 14 O UNL d 1 6.407 -7.055 -7.504 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 8.211 -5.731 -7.310 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 9.167 -4.912 -6.609 0.00 0.00 0.151 C ATOM 17 H UNL d 1 8.262 -5.791 -8.318 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2