REMARK VINA RESULT: -3.9 3.540 5.359 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 17.705 -28.744 -1.501 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 18.840 -30.823 -1.572 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 18.100 -29.883 -3.482 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 18.644 -32.119 -3.621 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 17.987 -29.941 -0.798 0.00 0.00 0.314 C ATOM 6 C UNL d 1 18.551 -31.045 -2.902 0.00 0.00 0.725 C ATOM 7 C UNL d 1 17.159 -29.068 -2.764 0.00 0.00 0.313 C ATOM 8 C UNL d 1 18.541 -29.424 -4.783 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 20.211 -31.001 -1.071 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 20.378 -31.861 0.152 0.00 0.00 0.021 A ATOM 11 S UNL d 1 20.640 -31.144 1.700 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 20.681 -32.696 2.388 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 20.888 -32.881 4.082 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 20.549 -33.717 1.581 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 20.378 -33.237 0.294 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 18.871 -33.292 -3.009 0.00 0.00 0.001 N ATOM 17 O UNL d 1 17.979 -33.861 -2.357 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 19.985 -33.815 -3.183 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3