REMARK VINA RESULT: -3.9 3.468 5.193 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 17.680 -28.746 -1.239 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 17.476 -31.070 -1.654 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 17.681 -29.636 -3.380 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 16.917 -31.743 -3.923 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 17.144 -29.970 -0.768 0.00 0.00 0.314 C ATOM 6 C UNL d 1 17.321 -30.912 -3.015 0.00 0.00 0.725 C ATOM 7 C UNL d 1 17.248 -28.533 -2.568 0.00 0.00 0.313 C ATOM 8 C UNL d 1 18.495 -29.345 -4.542 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 18.427 -32.060 -1.125 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 19.600 -31.525 -0.351 0.00 0.00 0.021 A ATOM 11 S UNL d 1 20.944 -30.817 -1.172 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 21.676 -30.515 0.330 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 23.192 -29.714 0.403 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 21.039 -30.913 1.402 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 19.848 -31.497 1.010 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 16.363 -32.904 -3.540 0.00 0.00 0.001 N ATOM 17 O UNL d 1 15.225 -32.940 -3.041 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 17.007 -33.941 -3.771 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3