REMARK VINA RESULT: -4.1 1.658 3.083 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 6.988 -6.312 -6.382 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 7.715 -7.875 -4.756 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 8.695 -7.829 -6.784 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 9.079 -9.731 -5.538 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 6.603 -7.096 -5.266 0.00 0.00 0.314 C ATOM 6 C UNL d 1 8.515 -8.569 -5.639 0.00 0.00 0.725 C ATOM 7 C UNL d 1 7.565 -7.154 -7.360 0.00 0.00 0.313 C ATOM 8 C UNL d 1 9.980 -7.680 -7.437 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 8.237 -7.473 -3.441 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 7.227 -7.010 -2.426 0.00 0.00 0.021 A ATOM 11 S UNL d 1 5.769 -7.897 -2.171 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 5.320 -6.775 -0.977 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 3.853 -6.981 -0.111 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 6.132 -5.773 -0.756 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 7.227 -5.906 -1.592 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 8.727 -10.537 -4.525 0.00 0.00 0.001 N ATOM 17 O UNL d 1 7.806 -11.362 -4.648 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 9.407 -10.470 -3.486 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3