REMARK VINA RESULT: -4.8 1.402 1.558 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 31.054 74.952 105.142 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 32.332 73.342 104.092 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 32.146 74.553 104.746 0.00 0.00 0.265 C ATOM 4 H UNL d 1 33.182 73.179 103.556 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 33.368 75.376 104.944 0.00 0.00 0.036 A ATOM 6 C UNL d 1 33.621 76.490 104.143 0.00 0.00 0.036 A ATOM 7 C UNL d 1 34.789 77.192 104.365 0.00 0.00 0.117 A ATOM 8 N UNL d 1 35.691 76.862 105.313 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 35.425 75.769 106.063 0.00 0.00 0.117 A ATOM 10 C UNL d 1 34.290 74.996 105.917 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 31.216 72.516 103.838 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 31.133 71.854 104.614 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 30.379 73.111 103.929 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2