REMARK VINA RESULT: -4.8 3.229 4.490 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 -15.358 22.744 -27.785 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -15.200 20.722 -28.887 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -15.532 21.528 -27.806 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -15.112 19.716 -28.762 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -16.119 20.829 -26.632 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -15.495 19.710 -26.079 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -16.112 19.094 -25.007 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -17.274 19.516 -24.468 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -17.861 20.594 -25.036 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -17.331 21.278 -26.113 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 -14.610 21.306 -30.028 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 -14.393 20.555 -30.688 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -15.350 21.846 -30.502 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2