REMARK VINA RESULT: -3.9 1.487 2.086 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 19.398 -32.066 0.132 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 20.252 -30.026 0.792 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 19.480 -30.849 -0.016 0.00 0.00 0.265 C ATOM 4 H UNL d 1 20.498 -29.090 0.477 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 18.737 -30.170 -1.111 0.00 0.00 0.036 A ATOM 6 C UNL d 1 17.979 -29.026 -0.860 0.00 0.00 0.036 A ATOM 7 C UNL d 1 17.293 -28.463 -1.919 0.00 0.00 0.117 A ATOM 8 N UNL d 1 17.322 -28.955 -3.175 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 18.054 -30.073 -3.383 0.00 0.00 0.117 A ATOM 10 C UNL d 1 18.770 -30.716 -2.392 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 21.011 -30.598 1.835 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 21.173 -31.582 1.603 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 21.950 -30.174 1.787 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2