REMARK VINA RESULT: -4.6 3.411 5.345 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 -8.739 -1.782 2.374 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -6.410 -2.033 2.730 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -7.842 -2.304 4.448 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -5.633 -1.999 5.035 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -7.447 -1.376 1.958 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -6.528 -2.097 4.103 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -8.866 -1.562 3.765 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -8.255 -3.253 5.462 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -5.595 -3.023 2.009 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -4.755 -2.507 0.873 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -3.119 -2.028 1.138 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -2.981 -1.657 -0.513 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -1.489 -1.091 -1.147 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -4.043 -1.823 -1.259 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -5.065 -2.308 -0.461 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -4.400 -1.581 4.710 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -3.435 -2.364 4.709 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -4.282 -0.399 4.343 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3