REMARK VINA RESULT: -4.5 2.224 3.515 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 -0.560 -6.792 6.534 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -1.693 -4.723 6.756 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -0.082 -4.957 5.199 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -0.675 -2.785 5.696 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -1.229 -5.922 7.429 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -0.840 -4.053 5.905 0.00 0.00 0.725 C ATOM 7 C UNL d 1 0.481 -6.083 5.892 0.00 0.00 0.313 C ATOM 8 C UNL d 1 0.167 -4.842 3.777 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -3.150 -4.591 6.602 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -3.983 -4.813 7.835 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -4.156 -6.394 8.505 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -5.128 -5.744 9.737 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -5.746 -6.761 10.973 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -5.372 -4.459 9.696 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -4.717 -3.924 8.600 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -1.251 -1.909 6.534 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -2.449 -1.600 6.418 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -0.554 -1.478 7.469 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3