REMARK VINA RESULT: -5.2 0.000 0.000 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 37.065 7.949 31.817 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 34.823 8.715 31.792 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 35.564 7.363 30.149 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 33.598 8.482 29.703 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 36.189 9.000 32.186 0.00 0.00 0.314 C ATOM 6 C UNL d 1 34.572 8.237 30.523 0.00 0.00 0.725 C ATOM 7 C UNL d 1 36.932 7.702 30.431 0.00 0.00 0.313 C ATOM 8 C UNL d 1 35.301 6.098 29.494 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 33.876 8.448 32.886 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 33.442 7.020 33.070 0.00 0.00 0.021 A ATOM 11 S UNL d 1 34.603 5.781 33.381 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 33.342 4.647 33.459 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 33.685 3.002 33.808 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 32.127 5.081 33.247 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 32.184 6.445 33.019 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 32.757 9.491 29.977 0.00 0.00 0.001 N ATOM 17 O UNL d 1 33.097 10.675 29.811 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 31.606 9.188 30.334 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3