REMARK VINA RESULT: 4.3 1.784 3.411 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 21.000 8.640 -12.893 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 21.553 6.485 -12.078 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 21.646 8.264 -10.698 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 22.746 6.376 -9.961 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 21.526 7.367 -13.228 0.00 0.00 0.314 C ATOM 6 C UNL d 1 22.035 6.957 -10.875 0.00 0.00 0.725 C ATOM 7 C UNL d 1 21.734 9.171 -11.808 0.00 0.00 0.313 C ATOM 8 C UNL d 1 21.131 8.774 -9.444 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 20.610 5.355 -12.107 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 20.662 4.464 -13.318 0.00 0.00 0.021 A ATOM 11 S UNL d 1 20.117 5.035 -14.853 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 20.528 3.535 -15.534 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 20.310 3.264 -17.215 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 21.010 2.620 -14.731 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 21.083 3.153 -13.456 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 23.304 5.186 -10.232 0.00 0.00 0.001 N ATOM 17 O UNL d 1 22.607 4.201 -10.531 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 24.546 5.132 -10.239 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3