REMARK VINA RESULT: -3.6 2.103 4.194 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 16.734 -30.334 -0.736 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 17.521 -29.253 -2.618 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 17.671 -29.999 -1.455 0.00 0.00 0.265 C ATOM 4 H UNL d 1 18.325 -28.780 -3.025 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 19.066 -30.378 -1.105 0.00 0.00 0.036 A ATOM 6 C UNL d 1 19.690 -29.850 0.025 0.00 0.00 0.036 A ATOM 7 C UNL d 1 20.996 -30.226 0.274 0.00 0.00 0.117 A ATOM 8 N UNL d 1 21.693 -31.074 -0.510 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 21.065 -31.558 -1.605 0.00 0.00 0.117 A ATOM 10 C UNL d 1 19.764 -31.240 -1.947 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 16.233 -28.828 -3.003 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 16.275 -28.549 -3.987 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 15.632 -29.666 -3.009 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2