REMARK VINA RESULT: -3.8 1.452 1.999 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 34.816 8.662 33.521 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 33.025 8.556 31.973 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 35.152 8.558 31.229 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 33.545 9.038 29.646 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 33.469 9.025 33.271 0.00 0.00 0.314 C ATOM 6 C UNL d 1 33.837 8.741 30.874 0.00 0.00 0.725 C ATOM 7 C UNL d 1 35.625 9.129 32.460 0.00 0.00 0.313 C ATOM 8 C UNL d 1 36.091 7.799 30.429 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 32.025 7.477 31.983 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 32.545 6.074 32.132 0.00 0.00 0.021 A ATOM 11 S UNL d 1 32.696 5.355 33.694 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 33.269 3.934 32.962 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 33.656 2.566 33.923 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 33.394 3.935 31.659 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 32.982 5.167 31.182 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 32.296 9.428 29.352 0.00 0.00 0.001 N ATOM 17 O UNL d 1 31.388 8.599 29.172 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 32.074 10.651 29.338 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3