REMARK VINA RESULT: -5.3 2.864 5.631 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 10.678 4.801 -11.554 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 10.948 5.620 -12.727 0.00 0.00 0.065 C ATOM 3 C UNL d 1 12.387 6.177 -12.640 0.00 0.00 0.079 C ATOM 4 C UNL d 1 12.734 5.801 -11.252 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 11.731 5.016 -10.704 0.00 0.00 0.110 A ATOM 6 C UNL d 1 9.912 6.749 -12.749 0.00 0.00 0.046 C ATOM 7 C UNL d 1 10.775 4.727 -13.959 0.00 0.00 0.046 C ATOM 8 C UNL d 1 13.882 6.096 -10.536 0.00 0.00 0.010 A ATOM 9 C UNL d 1 11.835 4.508 -9.420 0.00 0.00 0.114 A ATOM 10 C UNL d 1 14.008 5.578 -9.245 0.00 0.00 0.003 A ATOM 11 C UNL d 1 12.996 4.776 -8.691 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 10.792 3.683 -8.954 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 10.533 3.535 -7.596 0.00 0.00 0.365 C ATOM 14 O UNL d 1 9.972 4.347 -6.871 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 10.975 2.348 -7.078 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 11.601 1.263 -7.791 0.00 0.00 0.151 C ATOM 17 H UNL d 1 10.799 2.249 -6.088 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2