REMARK VINA RESULT: -6.3 1.924 3.331 REMARK 3 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: N_6 and C_13 REMARK 2 A between atoms: N_8 and N_10 REMARK 3 A between atoms: C_13 and C_15 ROOT ATOM 1 O UNL d 1 112.917 82.986 51.541 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 112.417 85.301 51.615 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 111.160 83.922 50.352 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 110.944 86.170 49.886 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 113.451 84.287 51.707 0.00 0.00 0.314 C ATOM 6 C UNL d 1 111.495 85.234 50.592 0.00 0.00 0.725 C ATOM 7 C UNL d 1 112.201 82.933 50.323 0.00 0.00 0.313 C ATOM 8 C UNL d 1 109.797 83.479 50.142 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 112.090 86.006 52.863 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 113.250 86.467 53.703 0.00 0.00 0.021 A ATOM 11 S UNL d 1 113.584 85.721 55.223 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 114.920 86.752 55.413 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 115.922 86.617 56.800 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 115.141 87.631 54.469 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 114.178 87.470 53.488 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 111.431 87.418 49.969 0.00 0.00 0.001 N ATOM 17 O UNL d 1 112.518 87.721 49.448 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 110.716 88.268 50.527 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3