REMARK VINA RESULT: -4.5 1.180 1.315 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 8.498 -16.633 3.274 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 9.341 -14.856 2.066 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 8.956 -15.494 3.238 0.00 0.00 0.265 C ATOM 4 H UNL d 1 9.457 -13.845 2.053 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 9.120 -14.706 4.489 0.00 0.00 0.036 A ATOM 6 C UNL d 1 8.081 -14.606 5.415 0.00 0.00 0.036 A ATOM 7 C UNL d 1 8.295 -13.835 6.541 0.00 0.00 0.117 A ATOM 8 N UNL d 1 9.448 -13.181 6.793 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 10.430 -13.286 5.869 0.00 0.00 0.117 A ATOM 10 C UNL d 1 10.316 -14.026 4.708 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 9.189 -15.525 0.834 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 8.205 -15.459 0.560 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 9.682 -14.961 0.126 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2