REMARK VINA RESULT: -4.1 2.609 4.083 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 1.192 -7.791 6.462 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 0.702 -5.618 5.653 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 2.565 -6.679 4.960 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 2.512 -4.407 4.571 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 0.569 -6.552 6.755 0.00 0.00 0.314 C ATOM 6 C UNL d 1 1.928 -5.463 5.043 0.00 0.00 0.725 C ATOM 7 C UNL d 1 2.537 -7.556 6.097 0.00 0.00 0.313 C ATOM 8 C UNL d 1 3.253 -7.133 3.769 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -0.536 -5.299 4.924 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -1.652 -4.685 5.724 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -2.758 -5.681 6.597 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -3.552 -4.284 7.145 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -4.890 -4.417 8.212 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -3.102 -3.130 6.723 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -2.011 -3.361 5.903 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 1.993 -3.201 4.847 0.00 0.00 0.001 N ATOM 17 O UNL d 1 1.612 -2.912 5.994 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 1.977 -2.367 3.926 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3