REMARK VINA RESULT: -4.4 1.670 3.688 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 -1.158 12.292 -15.317 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -1.447 10.980 -14.755 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -2.861 10.992 -14.131 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -3.164 12.439 -14.189 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -2.169 13.110 -14.881 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -0.374 10.685 -13.701 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -1.354 9.963 -15.895 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -4.272 13.111 -13.700 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -2.238 14.475 -15.101 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -4.364 14.487 -13.926 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -3.359 15.167 -14.634 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -1.206 15.074 -15.851 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -1.208 15.048 -17.240 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -2.196 15.033 -17.965 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 0.044 15.035 -17.792 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 1.305 15.105 -17.098 0.00 0.00 0.151 C ATOM 17 H UNL d 1 0.040 15.001 -18.803 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2