REMARK VINA RESULT: -2.2 2.325 2.725 REMARK 2 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: N_2 and N_4 REMARK I between atoms: N_2 and C_8 REMARK 2 A between atoms: C_5 and C_8 ROOT ATOM 1 O UNL d 1 15.351 42.644 27.086 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 16.911 44.345 27.116 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 15.741 43.736 26.680 0.00 0.00 0.265 C ATOM 4 H UNL d 1 17.324 45.099 26.571 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 14.961 44.486 25.661 0.00 0.00 0.036 A ATOM 6 C UNL d 1 14.238 43.814 24.674 0.00 0.00 0.036 A ATOM 7 C UNL d 1 13.558 44.575 23.743 0.00 0.00 0.117 A ATOM 8 N UNL d 1 13.553 45.925 23.740 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 14.275 46.546 24.700 0.00 0.00 0.117 A ATOM 10 C UNL d 1 14.993 45.878 25.673 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 17.723 43.684 28.060 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 18.684 44.012 27.933 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 17.458 44.048 28.988 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2