REMARK VINA RESULT: -6.1 2.463 3.270 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 -5.263 -3.359 -0.066 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -5.609 -3.024 -1.440 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -7.085 -2.566 -1.497 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -7.527 -2.926 -0.131 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -6.447 -3.354 0.625 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -5.380 -4.277 -2.291 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -4.666 -1.906 -1.890 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -8.794 -2.837 0.420 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -6.596 -3.718 1.952 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -8.958 -3.186 1.762 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -7.863 -3.614 2.532 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -5.440 -4.100 2.663 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -5.396 -5.277 3.401 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -5.990 -5.499 4.449 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -4.592 -6.239 2.854 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -3.868 -6.170 1.610 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -4.550 -7.089 3.401 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2