REMARK VINA RESULT: -3.3 2.839 3.462 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 7.615 -4.230 10.578 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 7.145 -5.837 8.988 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 6.847 -4.714 9.750 0.00 0.00 0.265 C ATOM 4 H UNL d 1 6.397 -6.349 8.524 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 5.510 -4.109 9.515 0.00 0.00 0.036 A ATOM 6 C UNL d 1 4.692 -3.740 10.584 0.00 0.00 0.036 A ATOM 7 C UNL d 1 3.451 -3.208 10.292 0.00 0.00 0.117 A ATOM 8 N UNL d 1 2.992 -3.025 9.036 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 3.802 -3.406 8.023 0.00 0.00 0.117 A ATOM 10 C UNL d 1 5.057 -3.952 8.207 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 8.383 -6.488 9.173 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 9.119 -5.777 9.139 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 8.402 -6.818 10.150 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2