REMARK VINA RESULT: -3.6 2.263 3.570 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 6.997 -5.097 -6.549 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 7.787 -7.206 -5.812 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 8.849 -6.133 -7.484 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 9.344 -8.375 -7.269 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 6.634 -6.342 -5.978 0.00 0.00 0.314 C ATOM 6 C UNL d 1 8.685 -7.342 -6.850 0.00 0.00 0.725 C ATOM 7 C UNL d 1 7.690 -5.330 -7.759 0.00 0.00 0.313 C ATOM 8 C UNL d 1 10.143 -5.615 -7.879 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 8.211 -7.459 -4.426 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 7.126 -7.782 -3.436 0.00 0.00 0.021 A ATOM 11 S UNL d 1 6.430 -6.541 -2.459 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 5.405 -7.697 -1.755 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 4.249 -7.220 -0.580 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 5.539 -8.938 -2.147 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 6.531 -8.988 -3.110 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 9.021 -9.588 -6.795 0.00 0.00 0.001 N ATOM 17 O UNL d 1 9.320 -9.927 -5.638 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 8.350 -10.325 -7.538 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3