REMARK VINA RESULT: -4.1 2.519 3.918 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 22.383 -32.567 -1.497 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 20.776 -32.497 0.243 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 22.350 -30.891 0.105 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 21.247 -31.031 2.125 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 21.543 -33.339 -0.656 0.00 0.00 0.314 C ATOM 6 C UNL d 1 21.410 -31.477 0.919 0.00 0.00 0.725 C ATOM 7 C UNL d 1 23.195 -31.732 -0.697 0.00 0.00 0.313 C ATOM 8 C UNL d 1 22.522 -29.457 -0.001 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 19.328 -32.432 -0.011 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 18.857 -31.374 -0.971 0.00 0.00 0.021 A ATOM 11 S UNL d 1 19.036 -31.591 -2.674 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 18.293 -30.085 -2.924 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 18.026 -29.511 -4.519 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 17.943 -29.403 -1.863 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 18.271 -30.142 -0.740 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 20.495 -31.738 2.982 0.00 0.00 0.001 N ATOM 17 O UNL d 1 20.874 -32.840 3.414 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 19.441 -31.210 3.377 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3