REMARK VINA RESULT: -5.5 2.181 3.168 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 6.939 4.025 5.303 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 6.920 3.257 3.061 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 8.414 2.414 4.522 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 8.874 2.029 2.296 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 6.656 4.367 3.958 0.00 0.00 0.314 C ATOM 6 C UNL d 1 8.095 2.548 3.192 0.00 0.00 0.725 C ATOM 7 C UNL d 1 8.268 3.551 5.389 0.00 0.00 0.313 C ATOM 8 C UNL d 1 8.876 1.171 5.105 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 5.740 2.632 2.443 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 4.400 3.204 2.814 0.00 0.00 0.021 A ATOM 11 S UNL d 1 4.131 4.908 2.776 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 2.526 4.646 3.264 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 1.453 5.974 3.444 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 2.159 3.410 3.488 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 3.237 2.581 3.233 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 8.683 2.346 1.006 0.00 0.00 0.001 N ATOM 17 O UNL d 1 8.874 3.503 0.593 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 8.377 1.421 0.236 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3