2Y0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAL | sing | 1.53Å | 1.52Å | |
| CAL | CAO | sing | 1.53Å | 1.50Å | |
| CAO | CBD | sing | 1.51Å | 1.53Å | |
| SAW | CBD | sing | 1.76Å | 1.58Å | Aromatic |
| SAW | CBE | sing | 1.76Å | 1.65Å | Aromatic |
| CBD | CBC | doub | 1.34Å | 1.32Å | Aromatic |
| CAI | CAG | doub | 1.38Å | 1.40Å | Aromatic |
| CAI | CBA | sing | 1.40Å | 1.40Å | Aromatic |
| NAC | C6 | sing | 1.39Å | 1.33Å | |
| CAG | CAH | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | N1 | doub | 1.33Å | 1.35Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| N1 | C2 | sing | 1.33Å | 1.34Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| CBE | CBA | sing | 1.48Å | 1.36Å | |
| CBE | NAS | doub | 1.30Å | 1.34Å | Aromatic |
| C2 | SAV | sing | 1.76Å | 1.78Å | |
| C2 | N3 | doub | 1.33Å | 1.33Å | Aromatic |
| C4 | N3 | sing | 1.33Å | 1.34Å | Aromatic |
| C4 | NAD | sing | 1.39Å | 1.33Å | |
| SAV | CAP | sing | 1.81Å | 1.85Å | |
| CBA | CAK | doub | 1.39Å | 1.41Å | Aromatic |
| CBC | NAS | sing | 1.31Å | 1.33Å | Aromatic |
| CBC | CAP | sing | 1.51Å | 1.52Å | |
| CAH | CAZ | doub | 1.39Å | 1.40Å | Aromatic |
| CAK | CAZ | sing | 1.39Å | 1.41Å | Aromatic |
| CAZ | OAU | sing | 1.36Å | 1.37Å | |
| OAU | CAN | sing | 1.43Å | 1.45Å | |
| CAN | CAM | sing | 1.53Å | 1.55Å | |
| CAM | NAT | sing | 1.46Å | 1.48Å | |
| NAT | SBF | sing | 1.66Å | 1.81Å | |
| CAB | SBF | sing | 1.81Å | 1.78Å | |
| SBF | OAF | doub | 1.42Å | 1.53Å | |
| SBF | OAE | doub | 1.42Å | 1.53Å | |
| CAB | H1 | sing | 1.09Å | 1.10Å | |
| CAB | H2 | sing | 1.09Å | 1.10Å | |
| CAB | H3 | sing | 1.09Å | 1.10Å | |
| NAT | H4 | sing | 0.97Å | 1.00Å | |
| CAM | H5 | sing | 1.09Å | 1.10Å | |
| CAM | H6 | sing | 1.09Å | 1.10Å | |
| CAN | H7 | sing | 1.09Å | 1.10Å | |
| CAN | H8 | sing | 1.09Å | 1.10Å | |
| CAK | H9 | sing | 1.08Å | 1.08Å | |
| CAH | H10 | sing | 1.08Å | 1.08Å | |
| CAG | H11 | sing | 1.08Å | 1.08Å | |
| CAI | H12 | sing | 1.08Å | 1.08Å | |
| CAO | H13 | sing | 1.09Å | 1.10Å | |
| CAO | H14 | sing | 1.09Å | 1.10Å | |
| CAL | H15 | sing | 1.09Å | 1.10Å | |
| CAL | H16 | sing | 1.09Å | 1.10Å | |
| CAA | H17 | sing | 1.09Å | 1.10Å | |
| CAA | H18 | sing | 1.09Å | 1.10Å | |
| CAA | H19 | sing | 1.09Å | 1.10Å | |
| CAP | H20 | sing | 1.09Å | 1.10Å | |
| CAP | H21 | sing | 1.09Å | 1.10Å | |
| NAC | H22 | sing | 0.97Å | 1.00Å | |
| NAC | H23 | sing | 0.97Å | 1.00Å | |
| C5 | H24 | sing | 1.08Å | 1.08Å | |
| NAD | H25 | sing | 0.97Å | 1.00Å | |
| NAD | H26 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAL | CAO | 108.0° | 109.5° |
| CAA | CAL | H15 | 109.8° | 109.5° |
| CAA | CAL | H16 | 109.9° | 109.5° |
| CAL | CAA | H17 | 109.5° | 109.5° |
| CAL | CAA | H18 | 109.4° | 109.5° |
| CAL | CAA | H19 | 109.5° | 109.4° |
| CAL | CAO | CBD | 108.6° | 109.5° |
| CAL | CAO | H13 | 109.7° | 109.5° |
| CAL | CAO | H14 | 109.7° | 109.5° |
| CAO | CAL | H15 | 109.9° | 109.5° |
| CAO | CAL | H16 | 109.8° | 109.5° |
| CAO | CBD | SAW | 124.8° | 125.9° |
| CAO | CBD | CBC | 125.9° | 125.9° |
| CBD | CAO | H13 | 109.7° | 109.5° |
| CBD | CAO | H14 | 109.7° | 109.5° |
| CBD | SAW | CBE | 95.9° | 89.9° |
| SAW | CBD | CBC | 109.2° | 108.2° |
| SAW | CBE | CBA | 126.0° | 125.5° |
| SAW | CBE | NAS | 107.8° | 109.0° |
| CBD | CBC | NAS | 115.0° | 115.9° |
| CBD | CBC | CAP | 122.3° | 122.1° |
| CAG | CAI | CBA | 121.3° | 119.9° |
| CAI | CAG | CAH | 120.1° | 120.2° |
| CAI | CAG | H11 | 120.0° | 119.9° |
| CAG | CAI | H12 | 119.3° | 120.1° |
| CAI | CBA | CBE | 119.6° | 120.1° |
| CAI | CBA | CAK | 118.2° | 119.8° |
| CBA | CAI | H12 | 119.4° | 120.0° |
| NAC | C6 | N1 | 120.1° | 120.4° |
| NAC | C6 | C5 | 120.2° | 120.5° |
| C6 | NAC | H22 | 109.5° | 120.0° |
| C6 | NAC | H23 | 109.5° | 120.0° |
| CAG | CAH | CAZ | 120.3° | 120.2° |
| CAG | CAH | H10 | 119.9° | 119.9° |
| CAH | CAG | H11 | 120.0° | 119.9° |
| N1 | C6 | C5 | 119.7° | 119.1° |
| C6 | N1 | C2 | 121.8° | 120.8° |
| C6 | C5 | C4 | 116.6° | 118.5° |
| C6 | C5 | H24 | 121.7° | 120.8° |
| N1 | C2 | SAV | 119.9° | 119.2° |
| N1 | C2 | N3 | 119.5° | 121.7° |
| C5 | C4 | N3 | 120.9° | 119.1° |
| C5 | C4 | NAD | 119.9° | 120.4° |
| C4 | C5 | H24 | 121.7° | 120.8° |
| CBA | CBE | NAS | 126.2° | 125.5° |
| CBE | CBA | CAK | 122.1° | 120.1° |
| CBE | NAS | CBC | 112.1° | 117.1° |
| SAV | C2 | N3 | 120.6° | 119.2° |
| C2 | SAV | CAP | 102.9° | 100.0° |
| C2 | N3 | C4 | 121.3° | 120.8° |
| N3 | C4 | NAD | 119.2° | 120.5° |
| C4 | NAD | H25 | 109.5° | 120.1° |
| C4 | NAD | H26 | 109.5° | 120.0° |
| SAV | CAP | CBC | 108.3° | 109.5° |
| SAV | CAP | H20 | 109.8° | 109.5° |
| SAV | CAP | H21 | 109.8° | 109.5° |
| CBA | CAK | CAZ | 120.5° | 119.8° |
| CBA | CAK | H9 | 119.8° | 120.1° |
| NAS | CBC | CAP | 122.7° | 122.1° |
| CBC | CAP | H20 | 109.8° | 109.5° |
| CBC | CAP | H21 | 109.8° | 109.4° |
| CAH | CAZ | CAK | 119.6° | 120.0° |
| CAH | CAZ | OAU | 116.2° | 120.0° |
| CAZ | CAH | H10 | 119.8° | 119.9° |
| CAK | CAZ | OAU | 124.2° | 120.0° |
| CAZ | CAK | H9 | 119.7° | 120.1° |
| CAZ | OAU | CAN | 123.8° | 117.0° |
| OAU | CAN | CAM | 109.2° | 109.5° |
| OAU | CAN | H7 | 109.5° | 109.5° |
| OAU | CAN | H8 | 109.6° | 109.4° |
| CAN | CAM | NAT | 113.9° | 109.5° |
| CAN | CAM | H5 | 108.3° | 109.4° |
| CAN | CAM | H6 | 108.4° | 109.5° |
| CAM | CAN | H7 | 109.6° | 109.5° |
| CAM | CAN | H8 | 109.5° | 109.4° |
| CAM | NAT | SBF | 114.0° | 120.0° |
| CAM | NAT | H4 | 108.3° | 120.0° |
| NAT | CAM | H5 | 108.4° | 109.4° |
| NAT | CAM | H6 | 108.4° | 109.5° |
| NAT | SBF | CAB | 111.8° | 104.5° |
| NAT | SBF | OAF | 107.8° | 104.3° |
| NAT | SBF | OAE | 110.4° | 104.3° |
| SBF | NAT | H4 | 108.3° | 120.0° |
| CAB | SBF | OAF | 109.2° | 110.5° |
| CAB | SBF | OAE | 108.8° | 110.6° |
| SBF | CAB | H1 | 109.5° | 109.5° |
| SBF | CAB | H2 | 109.5° | 109.5° |
| SBF | CAB | H3 | 109.5° | 109.5° |
| OAF | SBF | OAE | 108.7° | 121.0° |
| H1 | CAB | H2 | 109.5° | 109.5° |
| H1 | CAB | H3 | 109.4° | 109.5° |
| H2 | CAB | H3 | 109.5° | 109.5° |
| H5 | CAM | H6 | 109.5° | 109.4° |
| H7 | CAN | H8 | 109.5° | 109.5° |
| H13 | CAO | H14 | 109.4° | 109.4° |
| H15 | CAL | H16 | 109.4° | 109.4° |
| H17 | CAA | H18 | 109.5° | 109.5° |
| H17 | CAA | H19 | 109.5° | 109.5° |
| H18 | CAA | H19 | 109.5° | 109.5° |
| H20 | CAP | H21 | 109.4° | 109.4° |
| H22 | NAC | H23 | 109.5° | 120.0° |
| H25 | NAD | H26 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAL | CAO | H15 | 119.8° | 120.0° |
| CAA | CAL | CAO | H16 | 119.8° | 120.0° |
| CAA | CAL | CAO | CBD | 176.6° | 180.0° |
| CAA | CAL | CAO | H13 | 56.7° | 60.0° |
| CAA | CAL | CAO | H14 | 63.6° | 60.0° |
| CAA | CAL | H15 | H16 | 120.7° | 120.0° |
| CAL | CAA | H17 | H18 | 120.0° | 120.0° |
| CAL | CAA | H17 | H19 | 120.0° | 120.0° |
| CAL | CAA | H18 | H19 | 120.0° | 120.0° |
| CAL | CAO | CBD | H13 | 119.9° | 120.0° |
| CAL | CAO | CBD | H14 | 119.9° | 120.0° |
| CAL | CAO | CBD | SAW | 60.2° | 90.1° |
| CAL | CAO | CBD | CBC | 120.9° | 89.8° |
| CAL | CAO | H13 | H14 | 120.4° | 119.9° |
| CAO | CAL | H15 | H16 | 120.6° | 119.9° |
| CAO | CAL | CAA | H17 | 180.0° | 180.0° |
| CAO | CAL | CAA | H18 | 60.0° | 60.0° |
| CAO | CAL | CAA | H19 | 60.0° | 60.0° |
| CAO | CBD | SAW | CBC | 179.0° | 179.8° |
| CAO | CBD | SAW | CBE | 178.8° | 180.0° |
| CAO | CBD | CBC | NAS | 179.3° | 179.9° |
| CAO | CBD | CBC | CAP | 1.0° | 0.2° |
| CBD | CAO | H13 | H14 | 120.4° | 120.0° |
| CBD | CAO | CAL | H15 | 63.7° | 60.0° |
| CBD | CAO | CAL | H16 | 56.8° | 59.9° |
| CBD | SAW | CBE | CBA | 178.4° | 180.0° |
| CBD | SAW | CBE | NAS | 0.7° | 0.2° |
| SAW | CBD | CBC | NAS | 0.3° | 0.1° |
| SAW | CBD | CBC | CAP | 178.0° | 179.9° |
| SAW | CBD | CAO | H13 | 59.7° | 29.9° |
| SAW | CBD | CAO | H14 | 179.9° | 149.9° |
| CBE | SAW | CBD | CBC | 0.2° | 0.2° |
| SAW | CBE | CBA | CAI | 2.3° | 0.3° |
| SAW | CBE | CBA | NAS | 177.4° | 179.7° |
| SAW | CBE | CBA | CAK | 179.3° | 179.9° |
| SAW | CBE | NAS | CBC | 0.9° | 0.2° |
| CBD | CBC | NAS | CBE | 0.8° | 0.1° |
| CBD | CBC | CAP | SAV | 90.2° | 90.0° |
| CBD | CBC | NAS | CAP | 178.3° | 179.9° |
| CBC | CBD | CAO | H13 | 119.2° | 150.2° |
| CBC | CBD | CAO | H14 | 1.0° | 30.3° |
| CBD | CBC | CAP | H20 | 150.0° | 150.0° |
| CBD | CBC | CAP | H21 | 29.7° | 30.0° |
| CAG | CAI | CBA | H12 | 180.0° | 179.8° |
| CAI | CAG | CAH | H11 | 180.0° | 180.0° |
| CAG | CAI | CBA | CBE | 178.5° | 180.0° |
| CAG | CAI | CBA | CAK | 0.0° | 0.2° |
| CAI | CAG | CAH | CAZ | 0.5° | 0.0° |
| CAI | CAG | CAH | H10 | 179.6° | 180.0° |
| CBA | CAI | CAG | CAH | 0.3° | 0.2° |
| CAI | CBA | CBE | CAK | 178.4° | 179.8° |
| CAI | CBA | CBE | NAS | 175.1° | 179.9° |
| CAI | CBA | CAK | CAZ | 0.2° | 0.1° |
| CAI | CBA | CAK | H9 | 179.8° | 180.0° |
| CBA | CAI | CAG | H11 | 179.7° | 179.8° |
| NAC | C6 | N1 | C5 | 179.4° | 179.9° |
| NAC | C6 | N1 | C2 | 179.7° | 180.0° |
| NAC | C6 | C5 | C4 | 179.6° | 179.8° |
| C6 | NAC | H22 | H23 | 120.0° | 180.0° |
| NAC | C6 | C5 | H24 | 0.4° | 0.0° |
| CAG | CAH | CAZ | H10 | 180.0° | 180.0° |
| CAG | CAH | CAZ | CAK | 0.3° | 0.3° |
| CAG | CAH | CAZ | OAU | 178.5° | 180.0° |
| CAH | CAG | CAI | H12 | 179.7° | 180.0° |
| N1 | C6 | C5 | C4 | 0.9° | 0.3° |
| C6 | N1 | C2 | SAV | 179.3° | 180.0° |
| C6 | N1 | C2 | N3 | 0.4° | 0.3° |
| N1 | C6 | NAC | H22 | 0.0° | 0.0° |
| N1 | C6 | NAC | H23 | 120.0° | 180.0° |
| N1 | C6 | C5 | H24 | 179.1° | 180.0° |
| C5 | C6 | N1 | C2 | 0.3° | 0.0° |
| C6 | C5 | C4 | H24 | 180.0° | 179.7° |
| C6 | C5 | C4 | N3 | 1.0° | 0.3° |
| C6 | C5 | C4 | NAD | 179.7° | 180.0° |
| C5 | C6 | NAC | H22 | 179.5° | 179.9° |
| C5 | C6 | NAC | H23 | 59.4° | 0.1° |
| N1 | C2 | SAV | N3 | 178.9° | 179.7° |
| N1 | C2 | N3 | C4 | 0.3° | 0.3° |
| N1 | C2 | SAV | CAP | 162.3° | 0.3° |
| C5 | C4 | N3 | C2 | 0.4° | 0.0° |
| C5 | C4 | N3 | NAD | 179.3° | 179.7° |
| C5 | C4 | NAD | H25 | 179.3° | 0.0° |
| C5 | C4 | NAD | H26 | 60.7° | 179.9° |
| CBA | CBE | NAS | CBC | 178.7° | 180.0° |
| CBE | CBA | CAK | CAZ | 178.6° | 179.7° |
| CBE | CBA | CAK | H9 | 1.4° | 0.2° |
| CBE | CBA | CAI | H12 | 1.6° | 0.2° |
| NAS | CBE | CBA | CAK | 3.4° | 0.3° |
| CBE | NAS | CBC | CAP | 177.5° | 179.7° |
| SAV | C2 | N3 | C4 | 179.3° | 180.0° |
| C2 | SAV | CAP | CBC | 144.2° | 180.0° |
| C2 | SAV | CAP | H20 | 96.0° | 60.0° |
| C2 | SAV | CAP | H21 | 24.4° | 60.0° |
| C2 | N3 | C4 | NAD | 179.7° | 179.7° |
| N3 | C2 | SAV | CAP | 16.6° | 180.0° |
| N3 | C4 | C5 | H24 | 179.0° | 180.0° |
| N3 | C4 | NAD | H25 | 0.0° | 179.7° |
| N3 | C4 | NAD | H26 | 120.0° | 0.4° |
| NAD | C4 | C5 | H24 | 0.3° | 0.3° |
| C4 | NAD | H25 | H26 | 120.0° | 179.9° |
| SAV | CAP | CBC | NAS | 88.0° | 89.9° |
| SAV | CAP | CBC | H20 | 119.8° | 120.0° |
| SAV | CAP | CBC | H21 | 119.8° | 120.0° |
| SAV | CAP | H20 | H21 | 120.5° | 120.0° |
| CBA | CAK | CAZ | CAH | 0.0° | 0.3° |
| CBA | CAK | CAZ | H9 | 180.0° | 179.9° |
| CBA | CAK | CAZ | OAU | 178.7° | 180.0° |
| CAK | CBA | CAI | H12 | 180.0° | 180.0° |
| NAS | CBC | CAP | H20 | 31.9° | 30.2° |
| NAS | CBC | CAP | H21 | 152.2° | 150.1° |
| CBC | CAP | H20 | H21 | 120.5° | 119.9° |
| CAH | CAZ | CAK | OAU | 178.6° | 179.6° |
| CAH | CAZ | OAU | CAN | 172.1° | 0.3° |
| CAH | CAZ | CAK | H9 | 180.0° | 179.8° |
| CAZ | CAH | CAG | H11 | 179.6° | 179.9° |
| CAK | CAZ | OAU | CAN | 9.2° | 180.0° |
| CAK | CAZ | CAH | H10 | 179.7° | 179.7° |
| CAZ | OAU | CAN | CAM | 163.1° | 179.9° |
| CAZ | OAU | CAN | H7 | 76.9° | 60.0° |
| CAZ | OAU | CAN | H8 | 43.2° | 60.0° |
| OAU | CAZ | CAK | H9 | 1.3° | 0.1° |
| OAU | CAZ | CAH | H10 | 1.5° | 0.0° |
| OAU | CAN | CAM | H7 | 120.0° | 120.0° |
| OAU | CAN | CAM | H8 | 120.0° | 119.9° |
| OAU | CAN | CAM | NAT | 157.7° | 64.9° |
| OAU | CAN | CAM | H5 | 37.0° | 55.0° |
| OAU | CAN | CAM | H6 | 81.7° | 175.0° |
| OAU | CAN | H7 | H8 | 120.1° | 120.0° |
| CAN | CAM | NAT | H5 | 120.6° | 120.0° |
| CAN | CAM | NAT | H6 | 120.7° | 120.1° |
| CAN | CAM | NAT | SBF | 135.5° | 165.0° |
| CAN | CAM | NAT | H4 | 103.8° | 15.0° |
| CAN | CAM | H5 | H6 | 118.0° | 120.0° |
| CAM | CAN | H7 | H8 | 120.1° | 120.0° |
| CAM | NAT | SBF | H4 | 120.7° | 180.0° |
| CAM | NAT | SBF | CAB | 17.8° | 65.0° |
| CAM | NAT | SBF | OAF | 137.8° | 178.9° |
| CAM | NAT | SBF | OAE | 103.5° | 51.1° |
| NAT | CAM | H5 | H6 | 118.0° | 120.0° |
| NAT | CAM | CAN | H7 | 82.4° | 175.0° |
| NAT | CAM | CAN | H8 | 37.7° | 55.0° |
| NAT | SBF | CAB | OAF | 119.3° | 111.6° |
| NAT | SBF | CAB | OAE | 122.3° | 111.6° |
| NAT | SBF | OAF | OAE | 119.7° | 116.7° |
| NAT | SBF | CAB | H1 | 180.0° | 180.0° |
| NAT | SBF | CAB | H2 | 60.0° | 60.0° |
| NAT | SBF | CAB | H3 | 60.0° | 60.0° |
| SBF | NAT | CAM | H5 | 14.8° | 75.0° |
| SBF | NAT | CAM | H6 | 103.9° | 44.9° |
| CAB | SBF | OAF | OAE | 118.5° | 131.6° |
| SBF | CAB | H1 | H2 | 120.0° | 120.0° |
| SBF | CAB | H1 | H3 | 120.0° | 120.0° |
| SBF | CAB | H2 | H3 | 120.0° | 120.0° |
| CAB | SBF | NAT | H4 | 138.5° | 115.0° |
| OAF | SBF | CAB | H1 | 60.7° | 68.4° |
| OAF | SBF | CAB | H2 | 59.3° | 171.6° |
| OAF | SBF | CAB | H3 | 179.3° | 51.6° |
| OAF | SBF | NAT | H4 | 101.5° | 1.1° |
| OAE | SBF | CAB | H1 | 57.7° | 68.4° |
| OAE | SBF | CAB | H2 | 177.8° | 51.6° |
| OAE | SBF | CAB | H3 | 62.2° | 171.6° |
| OAE | SBF | NAT | H4 | 17.2° | 128.9° |
| H1 | CAB | H2 | H3 | 120.0° | 120.0° |
| H4 | NAT | CAM | H5 | 135.5° | 105.0° |
| H4 | NAT | CAM | H6 | 16.8° | 135.1° |
| H5 | CAM | CAN | H7 | 157.0° | 65.0° |
| H5 | CAM | CAN | H8 | 82.9° | 175.0° |
| H6 | CAM | CAN | H7 | 38.3° | 55.0° |
| H6 | CAM | CAN | H8 | 158.4° | 65.1° |
| H10 | CAH | CAG | H11 | 0.4° | 0.1° |
| H11 | CAG | CAI | H12 | 0.3° | 0.0° |
| H13 | CAO | CAL | H15 | 176.5° | 180.0° |
| H13 | CAO | CAL | H16 | 63.1° | 60.1° |
| H14 | CAO | CAL | H15 | 56.2° | 60.1° |
| H14 | CAO | CAL | H16 | 176.7° | 180.0° |
| H15 | CAL | CAA | H17 | 60.2° | 60.0° |
| H15 | CAL | CAA | H18 | 59.8° | 180.0° |
| H15 | CAL | CAA | H19 | 179.8° | 60.0° |
| H16 | CAL | CAA | H17 | 60.3° | 60.0° |
| H16 | CAL | CAA | H18 | 179.8° | 60.0° |
| H16 | CAL | CAA | H19 | 59.7° | 180.0° |
| H17 | CAA | H18 | H19 | 120.0° | 120.0° |
