REMARK VINA RESULT: -5.1 3.472 4.777 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 -3.558 -2.114 -0.747 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -5.650 -2.384 0.333 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -5.363 -3.156 -1.765 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -7.553 -2.958 -1.070 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -4.455 -1.572 0.207 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -6.291 -2.824 -0.806 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -4.239 -2.286 -1.974 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -5.450 -4.357 -2.569 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -5.805 -3.115 1.600 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -6.474 -2.378 2.728 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -6.917 -0.719 2.552 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -7.552 -0.742 4.127 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -8.297 0.661 4.775 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -7.447 -1.858 4.802 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -6.824 -2.798 3.999 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -8.452 -2.431 -0.225 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -8.788 -1.237 -0.304 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -8.983 -3.205 0.590 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3