REMARK VINA RESULT: -6.6 1.755 2.987 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 -15.333 21.809 -28.717 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -16.497 20.887 -26.871 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -14.388 21.636 -26.606 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -15.173 20.262 -24.929 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -16.324 20.881 -28.311 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -15.384 20.864 -26.057 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -14.134 21.540 -28.017 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -13.586 22.561 -25.834 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -17.768 21.436 -26.375 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -18.819 20.442 -25.963 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -19.945 20.822 -24.711 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -20.669 19.301 -24.928 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -22.037 18.858 -23.992 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -20.144 18.507 -25.826 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -19.078 19.161 -26.418 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -16.055 19.342 -24.509 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -16.815 19.570 -23.552 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -16.126 18.286 -25.160 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3