REMARK VINA RESULT: -4.5 2.330 3.537 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 -0.223 14.735 -16.460 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -1.412 14.180 -14.487 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -2.506 14.324 -16.451 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -3.836 14.360 -14.568 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -0.283 14.892 -15.053 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -2.649 14.291 -15.084 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -1.460 15.128 -17.021 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -3.350 13.570 -17.355 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -1.088 13.004 -13.665 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -1.680 11.692 -14.100 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -0.715 10.262 -14.137 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -2.070 9.384 -14.664 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -1.950 7.693 -14.930 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -3.182 10.049 -14.850 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -2.957 11.376 -14.530 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -3.959 14.548 -13.246 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -3.462 15.542 -12.688 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -4.648 13.726 -12.618 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3