REMARK VINA RESULT: -4.3 2.136 3.789 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 -1.351 -1.984 6.067 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -2.792 -0.955 4.491 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -0.664 -1.431 3.922 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -1.752 0.061 2.541 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -2.463 -1.122 5.894 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -1.782 -0.705 3.586 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -0.267 -1.497 5.301 0.00 0.00 0.313 C ATOM 8 C UNL d 1 0.132 -2.155 2.952 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -4.053 -1.568 4.046 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -5.317 -1.040 4.667 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -6.214 -2.003 5.784 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -7.327 -0.732 5.953 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -8.653 -0.887 7.032 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -7.126 0.345 5.238 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -5.972 0.167 4.496 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -2.757 0.927 2.343 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -3.161 1.665 3.258 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -3.215 1.008 1.190 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3