REMARK VINA RESULT: -2.7 2.672 2.902 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 14.749 40.709 26.236 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 14.408 41.686 24.173 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 14.953 41.629 25.449 0.00 0.00 0.265 C ATOM 4 H UNL d 1 14.384 42.571 23.670 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 15.818 42.776 25.836 0.00 0.00 0.036 A ATOM 6 C UNL d 1 15.840 43.245 27.150 0.00 0.00 0.036 A ATOM 7 C UNL d 1 16.646 44.332 27.432 0.00 0.00 0.117 A ATOM 8 N UNL d 1 17.410 44.955 26.511 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 17.355 44.486 25.244 0.00 0.00 0.117 A ATOM 10 C UNL d 1 16.578 43.411 24.857 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 13.553 40.651 23.741 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 12.590 40.934 23.944 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 13.596 40.640 22.711 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2