REMARK VINA RESULT: -4.0 3.199 4.556 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 32.493 4.566 33.503 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 33.737 6.575 33.323 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 33.931 4.989 31.733 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 35.590 6.590 31.747 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 33.124 5.613 34.219 0.00 0.00 0.314 C ATOM 6 C UNL d 1 34.499 6.122 32.266 0.00 0.00 0.725 C ATOM 7 C UNL d 1 33.431 3.978 32.624 0.00 0.00 0.313 C ATOM 8 C UNL d 1 33.793 4.767 30.309 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 33.105 7.902 33.267 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 32.315 8.223 32.028 0.00 0.00 0.021 A ATOM 11 S UNL d 1 30.956 7.259 31.579 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 30.714 8.265 30.232 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 29.394 7.980 29.172 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 31.562 9.244 30.051 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 32.486 9.218 31.082 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 36.256 7.556 32.398 0.00 0.00 0.001 N ATOM 17 O UNL d 1 36.130 8.751 32.080 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 36.945 7.210 33.373 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3