REMARK VINA RESULT: -4.5 3.787 4.518 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 -1.683 0.615 12.219 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 0.316 0.302 10.987 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -1.535 1.053 9.947 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 0.125 0.251 8.563 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -0.484 -0.132 12.117 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -0.291 0.498 9.765 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -2.379 0.541 10.991 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -2.038 2.150 9.145 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 1.571 0.997 11.313 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 1.470 2.468 11.612 0.00 0.00 0.021 A ATOM 11 S UNL d 1 2.879 3.464 11.605 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 1.908 4.806 11.981 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 2.612 6.364 12.128 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 0.627 4.595 12.146 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 0.376 3.250 11.938 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 1.234 -0.486 8.399 0.00 0.00 0.001 N ATOM 17 O UNL d 1 1.216 -1.720 8.549 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 2.258 0.109 8.023 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3