REMARK VINA RESULT: -4.3 2.056 4.425 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 7.974 -7.766 -4.327 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 7.938 -9.579 -2.898 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 7.508 -8.335 -3.343 0.00 0.00 0.265 C ATOM 4 H UNL d 1 7.721 -9.883 -1.951 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 6.428 -7.700 -2.543 0.00 0.00 0.036 A ATOM 6 C UNL d 1 6.628 -6.467 -1.920 0.00 0.00 0.036 A ATOM 7 C UNL d 1 5.590 -5.949 -1.170 0.00 0.00 0.117 A ATOM 8 N UNL d 1 4.400 -6.565 -1.013 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 4.242 -7.765 -1.617 0.00 0.00 0.117 A ATOM 10 C UNL d 1 5.218 -8.372 -2.383 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 8.981 -10.235 -3.586 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 9.290 -9.622 -4.345 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 9.788 -10.263 -2.945 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2