REMARK VINA RESULT: -6.0 3.202 4.419 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 11.202 4.749 -8.250 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 12.218 2.700 -8.871 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 10.367 2.689 -7.587 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 11.561 0.717 -7.624 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 12.421 4.107 -8.582 0.00 0.00 0.314 C ATOM 6 C UNL d 1 11.435 1.943 -8.025 0.00 0.00 0.725 C ATOM 7 C UNL d 1 10.589 4.051 -7.185 0.00 0.00 0.313 C ATOM 8 C UNL d 1 9.014 2.176 -7.525 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 12.403 2.294 -10.272 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 11.504 2.943 -11.288 0.00 0.00 0.021 A ATOM 11 S UNL d 1 12.101 4.191 -12.320 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 10.573 4.287 -13.055 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 10.308 5.382 -14.350 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 9.633 3.501 -12.595 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 10.167 2.731 -11.577 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 12.708 0.068 -7.874 0.00 0.00 0.001 N ATOM 17 O UNL d 1 13.708 0.228 -7.154 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 12.703 -0.750 -8.809 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3