REMARK VINA RESULT: -4.3 3.196 3.710 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 -6.138 -2.272 -2.213 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -6.826 -4.089 -0.965 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -6.313 -2.807 -1.121 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -6.703 -4.581 -0.083 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -5.965 -2.092 0.135 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -6.934 -1.385 0.849 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -6.534 -0.721 1.993 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -5.267 -0.724 2.455 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -4.349 -1.406 1.733 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -4.643 -2.097 0.574 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 -7.152 -4.845 -2.110 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 -6.648 -5.734 -2.054 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -8.143 -5.116 -2.016 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2