REMARK VINA RESULT: 25.3 3.660 5.088 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 22.345 -3.572 2.278 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 21.181 -4.964 0.755 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 23.161 -4.066 0.164 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 21.888 -4.892 -1.571 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 21.071 -4.022 1.853 0.00 0.00 0.314 C ATOM 6 C UNL d 1 22.020 -4.676 -0.300 0.00 0.00 0.725 C ATOM 7 C UNL d 1 23.043 -3.044 1.168 0.00 0.00 0.313 C ATOM 8 C UNL d 1 24.490 -4.414 -0.296 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 20.824 -6.358 1.061 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 21.564 -7.010 2.197 0.00 0.00 0.021 A ATOM 11 S UNL d 1 20.872 -8.346 3.043 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 22.261 -8.423 4.017 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 22.401 -9.638 5.221 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 23.195 -7.532 3.805 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 22.793 -6.717 2.761 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 20.693 -5.283 -2.042 0.00 0.00 0.001 N ATOM 17 O UNL d 1 19.639 -4.965 -1.466 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 20.686 -5.913 -3.113 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3