REMARK VINA RESULT: -4.1 1.763 3.398 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 39.157 -37.544 -45.531 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 37.432 -39.169 -45.531 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 39.031 -39.230 -43.944 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 37.787 -41.158 -44.176 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 38.251 -38.281 -46.334 0.00 0.00 0.314 C ATOM 6 C UNL d 1 38.029 -39.944 -44.559 0.00 0.00 0.725 C ATOM 7 C UNL d 1 39.920 -38.444 -44.753 0.00 0.00 0.313 C ATOM 8 C UNL d 1 39.227 -39.215 -42.509 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 36.007 -38.819 -45.429 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 35.674 -37.354 -45.366 0.00 0.00 0.021 A ATOM 11 S UNL d 1 35.012 -36.544 -46.739 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 34.947 -35.108 -45.835 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 34.307 -33.678 -46.536 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 35.398 -35.148 -44.608 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 35.819 -36.439 -44.339 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 36.968 -41.920 -44.917 0.00 0.00 0.001 N ATOM 17 O UNL d 1 37.352 -42.429 -45.984 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 35.838 -42.152 -44.453 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3