REMARK VINA RESULT: -3.5 1.686 2.173 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 -7.634 -1.661 4.785 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -7.695 0.028 3.213 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -7.329 -1.229 3.676 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -7.206 0.439 2.420 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -6.517 -2.053 2.742 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -6.021 -3.298 3.130 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -5.251 -3.996 2.220 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -4.959 -3.542 0.983 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -5.441 -2.326 0.643 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -6.215 -1.546 1.480 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 -8.441 0.882 4.051 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 -9.081 1.421 3.461 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -9.066 0.280 4.609 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2