REMARK VINA RESULT: -3.7 2.861 3.876 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 39.996 63.489 57.916 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 42.205 64.191 57.423 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 40.492 64.895 56.140 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 42.593 65.162 55.227 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 41.369 63.144 57.980 0.00 0.00 0.314 C ATOM 6 C UNL d 1 41.858 64.762 56.217 0.00 0.00 0.725 C ATOM 7 C UNL d 1 39.662 63.808 56.580 0.00 0.00 0.313 C ATOM 8 C UNL d 1 39.839 66.092 55.650 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 43.039 64.930 58.382 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 44.063 64.133 59.143 0.00 0.00 0.021 A ATOM 11 S UNL d 1 45.462 63.513 58.345 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 45.986 62.854 59.820 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 47.481 62.015 59.905 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 45.211 63.018 60.862 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 44.104 63.750 60.471 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 43.893 64.833 55.210 0.00 0.00 0.001 N ATOM 17 O UNL d 1 44.262 63.680 54.929 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 44.710 65.747 55.416 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3