REMARK VINA RESULT: -4.2 3.466 5.412 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 22.171 -29.590 -0.647 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 21.959 -31.453 0.802 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 20.169 -30.150 0.381 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 19.981 -31.535 2.215 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 22.840 -30.425 0.282 0.00 0.00 0.314 C ATOM 6 C UNL d 1 20.691 -31.107 1.219 0.00 0.00 0.725 C ATOM 7 C UNL d 1 21.009 -29.062 -0.039 0.00 0.00 0.313 C ATOM 8 C UNL d 1 18.810 -30.190 -0.119 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 22.251 -32.830 0.377 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 22.191 -33.109 -1.100 0.00 0.00 0.021 A ATOM 11 S UNL d 1 20.680 -33.105 -1.934 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 21.499 -33.451 -3.380 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 20.628 -33.586 -4.852 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 22.797 -33.603 -3.315 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 23.195 -33.411 -2.003 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 20.568 -32.298 3.150 0.00 0.00 0.001 N ATOM 17 O UNL d 1 21.214 -31.791 4.082 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 20.377 -33.524 3.080 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3