REMARK VINA RESULT: -5.8 1.043 1.187 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 32.401 76.527 107.211 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 32.945 77.092 104.975 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 34.475 76.074 106.278 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 35.301 77.074 104.371 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 32.160 77.430 106.147 0.00 0.00 0.314 C ATOM 6 C UNL d 1 34.283 76.792 105.122 0.00 0.00 0.725 C ATOM 7 C UNL d 1 33.790 76.483 107.473 0.00 0.00 0.313 C ATOM 8 C UNL d 1 35.328 74.905 106.351 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 32.193 76.581 103.818 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 31.145 75.540 104.100 0.00 0.00 0.021 A ATOM 11 S UNL d 1 31.557 73.864 104.129 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 29.943 73.494 104.502 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 29.471 71.864 104.760 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 29.099 74.491 104.583 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 29.790 75.667 104.348 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 35.146 77.954 103.370 0.00 0.00 0.001 N ATOM 17 O UNL d 1 35.266 79.175 103.563 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 34.948 77.489 102.235 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3