REMARK VINA RESULT: 22.9 0.000 0.000 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 22.583 -5.991 2.752 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 22.210 -5.028 0.620 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 20.457 -5.562 1.931 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 19.960 -5.194 -0.290 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 23.082 -5.854 1.433 0.00 0.00 0.314 C ATOM 6 C UNL d 1 20.849 -5.247 0.652 0.00 0.00 0.725 C ATOM 7 C UNL d 1 21.257 -6.478 2.697 0.00 0.00 0.313 C ATOM 8 C UNL d 1 19.279 -5.001 2.561 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 22.741 -3.711 0.236 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 24.083 -3.696 -0.444 0.00 0.00 0.021 A ATOM 11 S UNL d 1 24.195 -3.631 -2.165 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 25.888 -3.627 -2.034 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 26.860 -3.528 -3.445 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 26.400 -3.700 -0.832 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 25.362 -3.743 0.083 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 20.370 -5.104 -1.564 0.00 0.00 0.001 N ATOM 17 O UNL d 1 21.564 -5.266 -1.870 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 19.495 -4.923 -2.428 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3