REMARK VINA RESULT: -3.1 3.234 5.026 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 31.138 8.645 31.838 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 32.509 7.113 33.015 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 31.872 6.654 30.903 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 32.687 4.864 32.106 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 31.482 8.132 33.113 0.00 0.00 0.314 C ATOM 6 C UNL d 1 32.392 6.125 32.060 0.00 0.00 0.725 C ATOM 7 C UNL d 1 30.771 7.573 30.992 0.00 0.00 0.313 C ATOM 8 C UNL d 1 32.391 6.345 29.587 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 33.831 7.474 33.550 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 34.987 7.421 32.589 0.00 0.00 0.021 A ATOM 11 S UNL d 1 34.838 8.077 30.999 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 36.449 7.638 30.689 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 37.166 8.011 29.175 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 37.098 7.018 31.641 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 36.256 6.889 32.732 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 32.983 4.309 33.291 0.00 0.00 0.001 N ATOM 17 O UNL d 1 32.089 3.970 34.084 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 34.183 4.086 33.527 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3