REMARK VINA RESULT: -3.7 1.405 1.983 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 -4.414 -15.040 1.471 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -6.281 -15.170 2.823 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -4.947 -15.406 2.516 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -6.736 -15.710 3.556 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -4.169 -16.152 3.540 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -2.845 -16.526 3.303 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -2.192 -17.242 4.288 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -2.761 -17.592 5.460 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -4.049 -17.228 5.653 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -4.792 -16.517 4.731 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 -7.094 -14.494 1.890 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 -7.878 -14.078 2.400 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -6.554 -13.679 1.559 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2