REMARK VINA RESULT: -3.8 1.763 3.734 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 -3.077 -3.964 6.849 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -1.975 -2.344 5.516 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -3.249 -3.924 4.537 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -1.800 -2.805 3.134 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -1.947 -3.115 6.744 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -2.275 -2.976 4.328 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -3.156 -4.773 5.692 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -4.384 -4.102 3.655 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -2.205 -0.899 5.666 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -3.314 -0.302 4.845 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -4.962 -0.499 5.319 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -5.439 0.419 3.973 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -7.100 0.759 3.708 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -4.497 0.845 3.171 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -3.276 0.428 3.670 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -0.707 -2.044 2.974 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -0.579 -1.304 1.984 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 0.133 -2.060 3.889 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3