REMARK VINA RESULT: -4.2 3.310 4.265 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 -2.233 -3.958 -0.698 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -3.382 -1.955 -0.166 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -4.544 -3.788 -0.772 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -5.710 -1.800 -0.854 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -2.165 -2.542 -0.692 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -4.602 -2.425 -0.604 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -3.389 -4.361 -1.405 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -5.589 -4.687 -0.325 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -3.268 -1.294 1.142 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -4.087 -1.869 2.264 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -3.415 -2.043 3.844 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -4.896 -2.674 4.384 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -5.095 -3.112 6.031 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -5.852 -2.804 3.501 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -5.387 -2.345 2.281 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -5.702 -0.459 -0.902 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -4.934 0.153 -1.663 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -6.543 0.136 -0.207 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3