REMARK VINA RESULT: -4.9 0.066 1.494 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 9.357 3.692 -11.408 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 10.827 1.943 -11.736 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 10.371 3.080 -11.082 0.00 0.00 0.265 C ATOM 4 H UNL d 1 11.788 1.634 -11.607 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 11.196 3.542 -9.934 0.00 0.00 0.036 A ATOM 6 C UNL d 1 10.877 3.174 -8.627 0.00 0.00 0.036 A ATOM 7 C UNL d 1 11.672 3.663 -7.608 0.00 0.00 0.117 A ATOM 8 N UNL d 1 12.735 4.468 -7.810 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 13.009 4.819 -9.086 0.00 0.00 0.117 A ATOM 10 C UNL d 1 12.275 4.390 -10.175 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 10.116 1.458 -12.853 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 9.581 2.236 -13.247 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 10.815 1.243 -13.581 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2