REMARK VINA RESULT: -4.7 1.745 4.129 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 30.181 3.880 -43.690 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 30.106 5.528 -42.075 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 30.639 4.392 -42.671 0.00 0.00 0.265 C ATOM 4 H UNL d 1 30.342 5.753 -41.111 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 31.822 3.798 -41.993 0.00 0.00 0.036 A ATOM 6 C UNL d 1 32.532 4.518 -41.031 0.00 0.00 0.036 A ATOM 7 C UNL d 1 33.637 3.914 -40.463 0.00 0.00 0.117 A ATOM 8 N UNL d 1 34.060 2.673 -40.783 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 33.359 2.008 -41.729 0.00 0.00 0.117 A ATOM 10 C UNL d 1 32.244 2.523 -42.362 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 28.965 6.133 -42.640 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 28.899 7.086 -42.270 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 29.166 6.270 -43.642 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2