REMARK VINA RESULT: -3.6 3.569 4.822 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 10.458 -17.950 7.507 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 9.853 -15.765 6.817 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 9.011 -17.555 5.738 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 8.818 -15.543 4.627 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 10.876 -16.598 7.420 0.00 0.00 0.314 C ATOM 6 C UNL d 1 9.218 -16.197 5.672 0.00 0.00 0.725 C ATOM 7 C UNL d 1 10.070 -18.396 6.222 0.00 0.00 0.313 C ATOM 8 C UNL d 1 7.764 -18.186 5.357 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 9.195 -14.800 7.711 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 9.679 -13.377 7.644 0.00 0.00 0.021 A ATOM 11 S UNL d 1 11.367 -13.028 7.553 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 11.000 -11.371 7.497 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 12.260 -10.215 7.349 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 9.739 -11.030 7.570 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 8.979 -12.184 7.658 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 9.213 -14.271 4.467 0.00 0.00 0.001 N ATOM 17 O UNL d 1 10.387 -13.994 4.170 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 8.339 -13.392 4.560 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3