REMARK VINA RESULT: -3.5 0.000 0.000 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 -3.449 -17.282 4.958 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -2.220 -17.512 5.704 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -2.028 -16.376 6.735 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -3.087 -15.439 6.297 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -3.857 -16.019 5.301 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -1.068 -17.551 4.695 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -2.354 -18.870 6.398 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -3.377 -14.174 6.780 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -4.936 -15.353 4.746 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -4.472 -13.496 6.241 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -5.258 -14.085 5.236 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -5.694 -16.029 3.769 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -6.044 -15.420 2.569 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -7.146 -14.971 2.278 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -5.018 -15.350 1.667 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -3.654 -15.774 1.861 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -5.280 -14.920 0.790 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2