REMARK VINA RESULT: -4.9 1.696 1.880 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 1 110.724 85.868 49.487 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 110.357 83.891 50.621 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 111.064 85.054 50.341 0.00 0.00 0.265 C ATOM 4 H UNL d 1 110.806 83.133 51.130 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 112.296 85.270 51.144 0.00 0.00 0.036 A ATOM 6 C UNL d 1 112.736 84.310 52.056 0.00 0.00 0.036 A ATOM 7 C UNL d 1 113.874 84.590 52.787 0.00 0.00 0.117 A ATOM 8 N UNL d 1 114.580 85.734 52.664 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 114.120 86.650 51.783 0.00 0.00 0.117 A ATOM 10 C UNL d 1 112.991 86.470 51.008 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 109.192 83.598 49.882 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 108.568 84.407 49.945 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 109.467 83.574 48.888 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2