REMARK VINA RESULT: -6.1 3.176 4.560 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 -14.647 19.960 -24.746 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -16.978 19.571 -24.911 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -16.218 21.637 -24.431 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -18.451 21.273 -23.990 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -15.683 19.008 -24.581 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -17.319 20.814 -24.421 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -14.955 21.113 -23.988 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -16.260 23.011 -24.885 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -17.616 19.054 -26.131 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -17.596 19.953 -27.337 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -19.070 20.485 -28.060 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -18.170 21.366 -29.199 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -18.973 22.312 -30.385 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -16.866 21.290 -29.125 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -16.536 20.474 -28.057 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -19.460 20.415 -23.776 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -19.382 19.535 -22.902 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -20.498 20.585 -24.439 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3