REMARK VINA RESULT: -5.6 1.477 1.815 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 -5.472 -1.726 0.775 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -5.707 -1.181 2.105 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -4.414 -0.505 2.616 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -3.454 -0.955 1.584 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -4.120 -1.627 0.570 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -6.125 -2.344 3.012 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -6.850 -0.170 1.990 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -2.087 -0.745 1.523 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -3.444 -2.120 -0.533 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -1.393 -1.223 0.409 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -2.067 -1.898 -0.622 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -4.201 -2.753 -1.539 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -5.272 -2.114 -2.154 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -5.236 -1.038 -2.739 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -6.451 -2.801 -2.058 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -6.662 -4.095 -1.460 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -7.231 -2.327 -2.494 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2