REMARK VINA RESULT: -4.7 2.323 2.500 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 -17.957 19.731 -28.076 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 -19.474 21.211 -27.160 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 -18.193 20.731 -27.402 0.00 0.00 0.265 C ATOM 4 H UNL d 1 -19.636 21.864 -26.396 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 -17.084 21.502 -26.780 0.00 0.00 0.036 A ATOM 6 C UNL d 1 -17.151 21.904 -25.446 0.00 0.00 0.036 A ATOM 7 C UNL d 1 -16.096 22.642 -24.942 0.00 0.00 0.117 A ATOM 8 N UNL d 1 -15.012 22.987 -25.667 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 -14.984 22.595 -26.960 0.00 0.00 0.117 A ATOM 10 C UNL d 1 -15.988 21.861 -27.561 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 -20.582 20.518 -27.690 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 -20.928 21.047 -28.495 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 -20.218 19.646 -28.104 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2