REMARK VINA RESULT: -2.9 1.980 4.205 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 -3.860 -16.469 3.713 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -5.136 -16.337 3.025 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -5.912 -15.137 3.614 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -5.072 -14.831 4.793 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -3.926 -15.610 4.780 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -5.903 -17.650 3.222 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -4.835 -16.125 1.539 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -5.287 -13.893 5.789 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -2.960 -15.487 5.764 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -4.314 -13.745 6.780 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -3.148 -14.529 6.764 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -1.804 -16.285 5.653 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -1.861 -17.669 5.769 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -2.218 -18.300 6.757 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -1.466 -18.333 4.640 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -1.072 -17.755 3.380 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -1.495 -19.339 4.733 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2