REMARK VINA RESULT: -3.8 2.021 4.242 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 32.553 4.505 33.163 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 33.563 5.186 31.203 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 33.011 5.401 32.459 0.00 0.00 0.265 C ATOM 4 H UNL d 1 33.680 5.966 30.559 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 32.991 6.813 32.925 0.00 0.00 0.036 A ATOM 6 C UNL d 1 31.959 7.286 33.737 0.00 0.00 0.036 A ATOM 7 C UNL d 1 31.991 8.616 34.109 0.00 0.00 0.117 A ATOM 8 N UNL d 1 32.962 9.474 33.736 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 33.940 8.990 32.937 0.00 0.00 0.117 A ATOM 10 C UNL d 1 33.998 7.679 32.504 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 33.592 3.878 30.677 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 34.454 3.429 30.998 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 32.846 3.349 31.152 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2