REMARK VINA RESULT: -6.4 0.000 0.000 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 8.076 4.434 2.274 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 6.081 3.778 3.372 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 7.972 2.592 3.679 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 6.022 1.537 4.313 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 6.661 4.417 2.206 0.00 0.00 0.314 C ATOM 6 C UNL d 1 6.604 2.583 3.817 0.00 0.00 0.725 C ATOM 7 C UNL d 1 8.544 3.115 2.470 0.00 0.00 0.313 C ATOM 8 C UNL d 1 8.875 2.115 4.706 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 5.353 4.661 4.297 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 3.907 4.927 3.980 0.00 0.00 0.021 A ATOM 11 S UNL d 1 2.863 5.628 5.163 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 1.592 5.582 4.038 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 0.047 6.198 4.461 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 1.846 5.067 2.863 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 3.176 4.687 2.830 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 4.686 1.443 4.244 0.00 0.00 0.001 N ATOM 17 O UNL d 1 4.118 1.112 3.188 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 4.050 1.630 5.295 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3