REMARK VINA RESULT: -4.1 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 41.806 62.360 58.309 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 42.101 64.198 56.842 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 43.055 64.228 58.883 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 42.930 66.267 57.814 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 41.230 63.113 57.256 0.00 0.00 0.314 C ATOM 6 C UNL d 1 42.690 64.994 57.801 0.00 0.00 0.725 C ATOM 7 C UNL d 1 42.141 63.233 59.370 0.00 0.00 0.313 C ATOM 8 C UNL d 1 44.333 64.360 59.552 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 42.711 64.064 55.511 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 44.193 63.811 55.469 0.00 0.00 0.021 A ATOM 11 S UNL d 1 45.269 64.998 54.825 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 46.576 63.971 55.173 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 48.181 64.478 54.836 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 46.303 62.805 55.698 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 44.933 62.711 55.865 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 42.381 67.040 56.865 0.00 0.00 0.001 N ATOM 17 O UNL d 1 41.177 67.348 56.902 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 43.142 67.491 55.992 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3