REMARK VINA RESULT: -5.8 3.394 4.773 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 29.434 75.347 105.106 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 31.114 76.405 103.812 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 29.124 77.419 104.112 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 30.417 78.255 102.395 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 30.548 75.145 104.254 0.00 0.00 0.314 C ATOM 6 C UNL d 1 30.274 77.401 103.359 0.00 0.00 0.725 C ATOM 7 C UNL d 1 28.494 76.173 104.449 0.00 0.00 0.313 C ATOM 8 C UNL d 1 28.519 78.640 104.604 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 32.441 76.741 104.349 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 32.895 75.971 105.559 0.00 0.00 0.021 A ATOM 11 S UNL d 1 33.817 74.523 105.383 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 33.884 74.385 107.075 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 34.746 73.089 107.798 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 33.261 75.295 107.778 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 32.689 76.205 106.907 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 31.430 78.095 101.530 0.00 0.00 0.001 N ATOM 17 O UNL d 1 31.463 77.128 100.751 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 32.291 78.991 101.495 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3