REMARK VINA RESULT: -4.9 2.740 3.065 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 31.280 75.154 105.499 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 31.126 77.387 106.065 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 31.788 76.170 105.967 0.00 0.00 0.265 C ATOM 4 H UNL d 1 31.481 78.109 106.689 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 33.183 76.148 106.480 0.00 0.00 0.036 A ATOM 6 C UNL d 1 34.126 75.262 105.957 0.00 0.00 0.036 A ATOM 7 C UNL d 1 35.396 75.279 106.500 0.00 0.00 0.117 A ATOM 8 N UNL d 1 35.772 76.103 107.500 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 34.831 76.939 107.996 0.00 0.00 0.117 A ATOM 10 C UNL d 1 33.533 76.997 107.528 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 29.789 77.482 105.627 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 29.793 77.905 104.695 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 29.461 76.519 105.461 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2