REMARK VINA RESULT: -3.9 0.995 1.088 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 -2.876 -17.260 2.924 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -3.380 -15.932 4.821 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -5.036 -16.591 3.442 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -5.564 -14.862 4.873 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -2.394 -16.266 3.811 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -4.688 -15.714 4.442 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -4.105 -16.830 2.373 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -6.295 -17.306 3.417 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -3.066 -16.352 6.195 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -2.788 -17.815 6.407 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -4.065 -18.900 6.820 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -2.947 -20.179 6.832 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -3.475 -21.780 7.154 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -1.696 -19.887 6.588 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -1.603 -18.527 6.347 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -5.161 -13.872 5.685 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -4.379 -12.992 5.287 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -5.659 -13.836 6.823 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3