REMARK VINA RESULT: -3.8 2.194 3.471 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 33.713 3.942 -39.899 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 32.957 2.752 -41.804 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 34.151 1.687 -40.218 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 33.989 0.594 -42.242 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 33.379 4.034 -41.273 0.00 0.00 0.314 C ATOM 6 C UNL d 1 33.695 1.624 -41.513 0.00 0.00 0.725 C ATOM 7 C UNL d 1 34.684 2.928 -39.728 0.00 0.00 0.313 C ATOM 8 C UNL d 1 34.107 0.561 -39.307 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 31.534 2.636 -42.158 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 30.769 3.922 -42.310 0.00 0.00 0.021 A ATOM 11 S UNL d 1 29.575 4.093 -43.545 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 29.264 5.670 -42.998 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 28.048 6.618 -43.752 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 29.981 6.113 -41.997 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 30.849 5.109 -41.604 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 33.734 0.635 -43.558 0.00 0.00 0.001 N ATOM 17 O UNL d 1 32.576 0.509 -43.993 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 34.691 0.875 -44.313 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3