REMARK VINA RESULT: -4.4 0.000 0.000 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 21.244 -29.874 1.065 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 19.802 -30.526 -0.699 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 21.557 -31.826 -0.147 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 20.609 -32.259 -2.203 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 20.379 -29.419 0.039 0.00 0.00 0.314 C ATOM 6 C UNL d 1 20.616 -31.559 -1.112 0.00 0.00 0.725 C ATOM 7 C UNL d 1 22.219 -30.728 0.501 0.00 0.00 0.313 C ATOM 8 C UNL d 1 21.908 -33.169 0.269 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 18.360 -30.748 -0.509 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 17.441 -30.118 -1.520 0.00 0.00 0.021 A ATOM 11 S UNL d 1 16.122 -31.012 -2.184 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 15.686 -29.649 -3.098 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 14.302 -29.700 -4.112 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 16.440 -28.585 -2.991 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 17.451 -28.856 -2.086 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 19.840 -31.857 -3.227 0.00 0.00 0.001 N ATOM 17 O UNL d 1 20.034 -30.765 -3.787 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 18.976 -32.653 -3.632 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3