REMARK VINA RESULT: -5.6 2.972 3.956 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 -5.153 -6.069 3.477 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -4.011 -4.127 4.209 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -3.589 -4.971 2.163 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -2.028 -3.473 2.961 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -4.647 -5.370 4.601 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -3.134 -4.123 3.145 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -4.109 -6.256 2.542 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -3.587 -4.628 0.756 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -4.708 -2.892 4.601 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -5.230 -2.028 3.486 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -6.496 -2.591 2.458 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -6.444 -1.115 1.620 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -7.535 -0.820 0.328 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -5.554 -0.236 2.002 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -4.852 -0.762 3.073 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -1.478 -2.822 3.997 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -1.627 -1.597 4.140 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -0.876 -3.508 4.841 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3