REMARK VINA RESULT: -4.7 1.995 2.026 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 32.788 74.466 103.308 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 32.569 76.763 103.262 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 33.071 75.570 103.765 0.00 0.00 0.265 C ATOM 4 H UNL d 1 32.614 77.610 103.824 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 33.992 75.693 104.926 0.00 0.00 0.036 A ATOM 6 C UNL d 1 34.934 76.721 104.988 0.00 0.00 0.036 A ATOM 7 C UNL d 1 35.775 76.758 106.084 0.00 0.00 0.117 A ATOM 8 N UNL d 1 35.731 75.861 107.091 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 34.817 74.870 106.995 0.00 0.00 0.117 A ATOM 10 C UNL d 1 33.935 74.739 105.940 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 31.666 76.730 102.179 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 31.985 76.010 101.525 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 30.777 76.355 102.545 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2