REMARK VINA RESULT: -4.2 3.175 4.053 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 32.630 7.230 31.642 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 32.222 8.416 30.903 0.00 0.00 0.065 C ATOM 3 C UNL d 1 33.439 9.354 30.730 0.00 0.00 0.079 C ATOM 4 C UNL d 1 34.411 8.696 31.630 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 33.895 7.498 32.099 0.00 0.00 0.110 A ATOM 6 C UNL d 1 31.104 9.094 31.703 0.00 0.00 0.046 C ATOM 7 C UNL d 1 31.686 7.950 29.547 0.00 0.00 0.046 C ATOM 8 C UNL d 1 35.687 9.108 31.975 0.00 0.00 0.010 A ATOM 9 C UNL d 1 34.629 6.676 32.936 0.00 0.00 0.114 A ATOM 10 C UNL d 1 36.447 8.282 32.807 0.00 0.00 0.003 A ATOM 11 C UNL d 1 35.927 7.064 33.277 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 34.048 5.455 33.333 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 33.741 4.461 32.411 0.00 0.00 0.365 C ATOM 14 O UNL d 1 33.970 4.492 31.208 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 33.120 3.373 32.961 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 32.825 3.147 34.353 0.00 0.00 0.151 C ATOM 17 H UNL d 1 32.884 2.659 32.286 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2