REMARK VINA RESULT: -4.3 1.570 4.089 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 -7.858 -1.244 2.509 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -7.018 -1.944 0.476 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -6.912 -1.623 1.824 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -6.182 -1.991 -0.102 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -5.555 -1.755 2.417 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -4.425 -1.856 1.604 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -3.198 -2.004 2.223 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -3.037 -2.052 3.562 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -4.153 -1.966 4.321 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -5.425 -1.822 3.802 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 -8.266 -1.816 -0.167 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 -8.097 -1.461 -1.113 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -8.621 -2.772 -0.322 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2