REMARK VINA RESULT: -3.8 1.926 3.981 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 7.867 -17.653 8.037 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 8.477 -15.490 7.286 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 10.020 -17.131 7.351 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 10.854 -14.989 7.171 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 7.603 -16.265 8.146 0.00 0.00 0.314 C ATOM 6 C UNL d 1 9.826 -15.772 7.263 0.00 0.00 0.725 C ATOM 7 C UNL d 1 9.238 -17.884 8.293 0.00 0.00 0.313 C ATOM 8 C UNL d 1 10.967 -17.852 6.526 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 7.836 -14.835 6.135 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 8.344 -15.217 4.771 0.00 0.00 0.021 A ATOM 11 S UNL d 1 9.224 -14.083 3.813 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 9.386 -15.262 2.603 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 10.262 -14.910 1.170 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 8.824 -16.425 2.815 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 8.222 -16.397 4.061 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 10.676 -13.666 7.306 0.00 0.00 0.001 N ATOM 17 O UNL d 1 11.141 -12.866 6.476 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 9.969 -13.284 8.254 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3