REMARK VINA RESULT: -2.8 1.577 2.249 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 3.808 -3.052 11.136 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 5.113 -4.148 12.694 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 4.783 -3.749 11.405 0.00 0.00 0.265 C ATOM 4 H UNL d 1 5.753 -4.925 12.837 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 5.690 -4.227 10.328 0.00 0.00 0.036 A ATOM 6 C UNL d 1 6.913 -4.825 10.633 0.00 0.00 0.036 A ATOM 7 C UNL d 1 7.717 -5.220 9.581 0.00 0.00 0.117 A ATOM 8 N UNL d 1 7.382 -5.064 8.284 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 6.197 -4.469 8.020 0.00 0.00 0.117 A ATOM 10 C UNL d 1 5.323 -4.032 8.998 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 4.285 -3.760 13.768 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 3.623 -4.520 13.945 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 4.879 -3.747 14.612 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2