REMARK VINA RESULT: -5.9 3.008 4.392 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 13.097 5.537 -9.461 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 11.558 3.842 -10.075 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 13.337 4.273 -11.390 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 11.649 3.047 -12.372 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 11.749 5.106 -9.389 0.00 0.00 0.314 C ATOM 6 C UNL d 1 12.105 3.665 -11.329 0.00 0.00 0.725 C ATOM 7 C UNL d 1 13.496 5.580 -10.816 0.00 0.00 0.313 C ATOM 8 C UNL d 1 14.498 3.651 -11.993 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 11.269 2.681 -9.221 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 12.449 1.995 -8.589 0.00 0.00 0.021 A ATOM 11 S UNL d 1 12.357 0.335 -8.127 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 13.966 0.415 -7.593 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 14.732 -0.983 -6.957 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 14.577 1.568 -7.691 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 13.703 2.478 -8.260 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 10.367 2.649 -12.381 0.00 0.00 0.001 N ATOM 17 O UNL d 1 9.446 3.440 -12.117 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 10.141 1.479 -12.735 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3