REMARK VINA RESULT: -4.6 1.801 3.490 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 2.053 1.250 11.420 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 0.150 0.355 10.327 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 2.093 -0.786 10.311 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 0.530 -1.462 8.755 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 0.850 1.558 10.737 0.00 0.00 0.314 C ATOM 6 C UNL d 1 0.856 -0.664 9.723 0.00 0.00 0.725 C ATOM 7 C UNL d 1 2.841 0.404 10.607 0.00 0.00 0.313 C ATOM 8 C UNL d 1 2.679 -2.062 10.665 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -1.112 0.071 11.027 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -2.377 0.516 10.347 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -2.421 1.991 9.451 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -4.048 1.689 9.072 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -4.916 2.781 8.072 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -4.592 0.608 9.569 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -3.632 -0.065 10.306 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -0.577 -1.201 8.044 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -0.606 -0.277 7.213 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -1.544 -1.966 8.202 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3