REMARK VINA RESULT: -3.9 2.307 3.542 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 -4.116 0.885 2.948 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -2.089 0.178 3.798 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -3.471 0.123 3.663 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -1.637 -0.281 4.585 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -4.157 -0.930 4.458 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -3.490 -2.098 4.827 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -4.198 -3.045 5.541 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -5.490 -2.899 5.901 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -6.113 -1.763 5.515 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -5.498 -0.757 4.795 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 -1.367 1.168 3.100 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 -1.357 0.911 2.109 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -1.937 2.027 3.127 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2