REMARK VINA RESULT: -3.9 2.348 3.027 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 40.305 -39.059 -46.040 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 38.466 -37.610 -45.674 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 38.771 -39.395 -44.333 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 36.678 -38.431 -44.245 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 39.380 -38.175 -46.649 0.00 0.00 0.314 C ATOM 6 C UNL d 1 37.873 -38.438 -44.745 0.00 0.00 0.725 C ATOM 7 C UNL d 1 39.594 -40.044 -45.316 0.00 0.00 0.313 C ATOM 8 C UNL d 1 38.944 -39.774 -42.946 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 38.626 -36.175 -45.394 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 37.636 -35.246 -46.042 0.00 0.00 0.021 A ATOM 11 S UNL d 1 37.301 -35.359 -47.731 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 36.185 -34.088 -47.575 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 35.291 -33.555 -48.939 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 36.046 -33.551 -46.390 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 36.883 -34.214 -45.509 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 35.746 -37.644 -44.802 0.00 0.00 0.001 N ATOM 17 O UNL d 1 35.367 -37.824 -45.972 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 35.230 -36.777 -44.076 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3