REMARK VINA RESULT: -3.5 3.106 4.622 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 45.754 64.886 56.076 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 43.530 64.397 55.420 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 44.191 63.986 57.534 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 42.239 62.946 56.883 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 44.914 64.508 54.999 0.00 0.00 0.314 C ATOM 6 C UNL d 1 43.230 63.725 56.586 0.00 0.00 0.725 C ATOM 7 C UNL d 1 45.574 63.976 57.143 0.00 0.00 0.313 C ATOM 8 C UNL d 1 43.879 64.289 58.916 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 42.611 65.418 54.894 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 42.734 66.800 55.474 0.00 0.00 0.021 A ATOM 11 S UNL d 1 43.085 68.151 54.458 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 43.017 69.166 55.818 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 43.243 70.858 55.641 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 42.786 68.605 56.977 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 42.628 67.244 56.780 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 41.430 62.521 55.900 0.00 0.00 0.001 N ATOM 17 O UNL d 1 41.875 61.879 54.933 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 40.214 62.735 56.036 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3