REMARK VINA RESULT: -5.2 3.069 4.380 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 -4.445 -1.183 4.390 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -2.641 -2.093 5.627 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -3.944 -3.447 4.384 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -2.631 -4.502 5.959 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -3.639 -1.043 5.547 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -3.014 -3.399 5.396 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -5.007 -2.480 4.371 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -3.898 -4.418 3.310 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -1.245 -1.673 5.427 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -1.015 -0.511 4.500 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -0.999 -0.743 2.790 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -0.728 0.922 2.587 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -0.615 1.590 1.011 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -0.616 1.649 3.669 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -0.777 0.825 4.769 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -1.899 -4.437 7.081 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -0.659 -4.367 7.037 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -2.517 -4.378 8.158 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3