REMARK VINA RESULT: -3.9 3.643 5.396 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 -4.367 -7.692 8.182 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -2.943 -5.958 7.420 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -4.778 -5.454 8.625 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -3.830 -3.694 7.475 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -3.464 -7.289 7.167 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -3.811 -4.952 7.788 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -5.383 -6.718 8.310 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -5.212 -4.777 9.830 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -1.519 -5.880 7.780 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -0.531 -5.931 6.648 0.00 0.00 0.021 A ATOM 11 S UNL d 1 0.801 -7.027 6.694 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 1.294 -6.459 5.171 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 2.672 -7.137 4.405 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 0.586 -5.504 4.626 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -0.462 -5.197 5.477 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -3.026 -3.257 6.495 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -3.240 -3.553 5.307 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -2.105 -2.488 6.819 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3