REMARK VINA RESULT: -5.5 3.425 4.856 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 30.011 73.872 104.829 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 31.673 75.118 103.688 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 29.869 76.168 104.536 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 31.079 77.368 102.983 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 30.998 73.840 103.814 0.00 0.00 0.314 C ATOM 6 C UNL d 1 30.926 76.276 103.663 0.00 0.00 0.725 C ATOM 7 C UNL d 1 29.122 74.942 104.575 0.00 0.00 0.313 C ATOM 8 C UNL d 1 29.477 77.230 105.440 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 33.079 75.151 104.117 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 33.349 75.642 105.513 0.00 0.00 0.021 A ATOM 11 S UNL d 1 34.640 76.746 105.822 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 34.214 76.753 107.465 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 35.078 77.737 108.574 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 33.216 75.990 107.832 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 32.721 75.348 106.711 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 31.971 77.388 101.980 0.00 0.00 0.001 N ATOM 17 O UNL d 1 31.671 76.984 100.844 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 33.081 77.893 102.221 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3