REMARK VINA RESULT: -5.3 0.000 0.000 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 -5.010 -6.443 -0.560 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -6.315 -5.435 1.141 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -4.148 -4.866 0.905 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -5.118 -4.273 2.911 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -6.104 -6.615 0.325 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -5.234 -4.830 1.747 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -3.866 -6.077 0.186 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -3.275 -3.731 0.690 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -7.535 -4.664 0.858 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -7.419 -3.565 -0.162 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -8.267 -2.076 0.050 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -7.594 -1.510 -1.402 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -7.943 0.079 -1.951 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -6.813 -2.326 -2.063 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -6.715 -3.509 -1.352 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -6.104 -4.432 3.808 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -6.251 -5.504 4.419 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -6.813 -3.441 4.050 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3