REMARK VINA RESULT: -4.0 3.222 4.499 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 12.618 41.154 27.388 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 14.300 42.808 27.169 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 13.915 41.369 25.478 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 15.915 42.511 25.375 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 13.565 41.949 28.078 0.00 0.00 0.314 C ATOM 6 C UNL d 1 14.804 42.279 26.000 0.00 0.00 0.725 C ATOM 7 C UNL d 1 13.277 40.436 26.364 0.00 0.00 0.313 C ATOM 8 C UNL d 1 13.572 41.313 24.072 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 14.020 44.248 27.272 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 13.463 44.918 26.045 0.00 0.00 0.021 A ATOM 11 S UNL d 1 14.365 46.138 25.225 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 13.109 46.277 24.091 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 13.254 47.369 22.775 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 12.053 45.525 24.267 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 12.255 44.746 25.393 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 16.869 43.226 25.992 0.00 0.00 0.001 N ATOM 17 O UNL d 1 17.302 42.893 27.108 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 17.347 44.189 25.368 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3