REMARK VINA RESULT: -5.6 3.709 5.013 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 34.129 74.398 106.507 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 32.417 74.673 104.891 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 32.529 76.071 106.655 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 30.528 76.075 105.508 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 33.302 73.740 105.563 0.00 0.00 0.314 C ATOM 6 C UNL d 1 31.731 75.608 105.635 0.00 0.00 0.725 C ATOM 7 C UNL d 1 33.315 75.129 107.403 0.00 0.00 0.313 C ATOM 8 C UNL d 1 32.633 77.472 107.006 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 32.697 74.917 103.467 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 33.230 76.276 103.107 0.00 0.00 0.021 A ATOM 11 S UNL d 1 34.612 76.920 103.915 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 34.505 78.312 102.948 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 35.663 79.567 103.115 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 33.520 78.373 102.089 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 32.785 77.205 102.183 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 29.684 75.470 104.659 0.00 0.00 0.001 N ATOM 17 O UNL d 1 29.263 74.322 104.878 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 29.289 76.134 103.685 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3