REMARK VINA RESULT: -3.7 1.701 1.753 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 37.418 -39.545 -46.048 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 37.283 -39.634 -43.746 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 37.130 -39.014 -44.979 0.00 0.00 0.265 C ATOM 4 H UNL d 1 37.288 -39.077 -42.894 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 36.591 -37.628 -44.945 0.00 0.00 0.036 A ATOM 6 C UNL d 1 37.374 -36.545 -45.347 0.00 0.00 0.036 A ATOM 7 C UNL d 1 36.818 -35.283 -45.263 0.00 0.00 0.117 A ATOM 8 N UNL d 1 35.566 -35.045 -44.819 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 34.839 -36.114 -44.423 0.00 0.00 0.117 A ATOM 10 C UNL d 1 35.303 -37.415 -44.462 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 37.816 -40.939 -43.691 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 37.066 -41.573 -43.402 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 38.017 -41.219 -44.663 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2