REMARK VINA RESULT: -2.4 2.089 4.356 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 -4.225 -17.082 3.841 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -5.309 -16.794 2.912 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -5.897 -15.400 3.229 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -5.221 -15.113 4.514 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -4.283 -16.096 4.792 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -6.362 -17.895 3.079 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -4.725 -16.838 1.498 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -5.392 -14.030 5.360 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -3.492 -16.036 5.927 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -4.591 -13.948 6.501 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -3.635 -14.939 6.780 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -2.533 -17.052 6.113 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -1.533 -17.289 5.178 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -1.068 -16.474 4.390 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -1.067 -18.576 5.184 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -1.458 -19.642 6.071 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -0.350 -18.749 4.493 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2