REMARK VINA RESULT: -5.9 3.481 5.033 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 30.899 77.879 102.884 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 31.054 75.856 104.107 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 32.811 76.567 102.890 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 32.880 74.355 103.535 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 30.180 76.772 103.398 0.00 0.00 0.314 C ATOM 6 C UNL d 1 32.255 75.490 103.537 0.00 0.00 0.725 C ATOM 7 C UNL d 1 31.966 77.407 102.086 0.00 0.00 0.313 C ATOM 8 C UNL d 1 34.214 76.914 102.990 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 30.874 75.790 105.566 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 32.105 75.985 106.408 0.00 0.00 0.021 A ATOM 11 S UNL d 1 32.689 77.571 106.756 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 33.944 76.886 107.672 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 35.072 77.898 108.478 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 34.004 75.581 107.730 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 32.949 75.062 107.000 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 32.239 73.260 103.973 0.00 0.00 0.001 N ATOM 17 O UNL d 1 31.287 72.775 103.339 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 32.685 72.716 104.997 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3