REMARK VINA RESULT: -4.6 3.706 4.705 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 -3.285 -5.980 6.001 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -1.742 -4.194 5.792 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -2.592 -4.710 7.814 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -1.591 -2.639 7.655 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -2.786 -4.967 5.146 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -1.931 -3.751 7.083 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -3.706 -5.393 7.216 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -2.210 -5.084 9.160 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -0.382 -4.374 5.260 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 0.300 -5.677 5.575 0.00 0.00 0.021 A ATOM 11 S UNL d 1 1.846 -6.044 4.901 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 1.834 -7.525 5.731 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 3.175 -8.589 5.613 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 0.776 -7.804 6.449 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -0.107 -6.743 6.357 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -1.147 -1.627 6.894 0.00 0.00 0.001 N ATOM 17 O UNL d 1 0.011 -1.193 7.011 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -1.921 -1.193 6.024 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3