REMARK VINA RESULT: -5.0 2.468 3.692 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 -2.324 -2.137 1.548 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -4.682 -1.905 1.479 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -3.511 -2.037 -0.442 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -5.666 -1.241 -0.643 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -3.463 -1.618 2.212 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -4.718 -1.689 0.118 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -2.299 -1.646 0.223 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -3.397 -2.799 -1.668 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -5.596 -2.875 2.102 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -5.822 -2.737 3.582 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -7.314 -2.118 4.189 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -6.733 -2.324 5.771 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -7.732 -1.937 7.112 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -5.516 -2.784 5.911 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -4.991 -3.018 4.652 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -6.754 -0.700 -0.074 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -6.745 0.468 0.351 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -7.786 -1.392 -0.056 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3