REMARK VINA RESULT: -5.6 2.996 4.362 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 12.896 4.889 -8.763 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 11.546 3.344 -9.949 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 13.215 4.422 -11.012 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 11.649 3.423 -12.378 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 11.611 4.300 -8.860 0.00 0.00 0.314 C ATOM 6 C UNL d 1 12.066 3.686 -11.180 0.00 0.00 0.725 C ATOM 7 C UNL d 1 13.240 5.454 -10.013 0.00 0.00 0.313 C ATOM 8 C UNL d 1 14.419 4.197 -11.786 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 11.424 1.931 -9.562 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 12.657 1.274 -9.003 0.00 0.00 0.021 A ATOM 11 S UNL d 1 12.525 -0.024 -7.873 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 14.219 -0.129 -7.827 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 14.981 -1.326 -6.862 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 14.896 0.728 -8.549 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 13.997 1.537 -9.222 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 10.423 2.901 -12.538 0.00 0.00 0.001 N ATOM 17 O UNL d 1 10.268 1.710 -12.858 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 9.456 3.639 -12.284 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3