Y8B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAH | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAI | sing | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAL | sing | 1.38Å | 1.40Å | Aromatic |
| CAI | CAK | doub | 1.38Å | 1.40Å | Aromatic |
| CAL | CAW | doub | 1.38Å | 1.40Å | Aromatic |
| CAK | CAW | sing | 1.38Å | 1.39Å | Aromatic |
| CAW | CAF | sing | 1.51Å | 1.41Å | |
| CAF | NAZ | sing | 1.46Å | 1.53Å | |
| CAO | CAM | doub | 1.38Å | 1.39Å | Aromatic |
| CAO | CBB | sing | 1.39Å | 1.33Å | Aromatic |
| CAM | CAX | sing | 1.39Å | 1.40Å | Aromatic |
| CAC | CAV | sing | 1.51Å | 1.40Å | |
| NAZ | CBB | sing | 1.38Å | 1.35Å | Aromatic |
| NAZ | CAN | sing | 1.36Å | 1.33Å | Aromatic |
| CBB | CBA | doub | 1.40Å | 1.35Å | Aromatic |
| CAX | NAG | sing | 1.40Å | 1.38Å | |
| CAX | CAR | doub | 1.38Å | 1.41Å | Aromatic |
| NAG | SBC | sing | 1.66Å | 1.77Å | |
| CAN | NAS | doub | 1.30Å | 1.34Å | Aromatic |
| CAV | CAQ | doub | 1.38Å | 1.39Å | Aromatic |
| CAV | CAY | sing | 1.38Å | 1.41Å | Aromatic |
| CBA | CAR | sing | 1.40Å | 1.36Å | Aromatic |
| CBA | NAS | sing | 1.36Å | 1.34Å | Aromatic |
| CAQ | CAT | sing | 1.38Å | 1.39Å | Aromatic |
| OAD | SBC | doub | 1.42Å | 1.52Å | |
| SBC | CAY | sing | 1.76Å | 1.85Å | |
| SBC | OAE | doub | 1.42Å | 1.53Å | |
| CAY | CAU | doub | 1.38Å | 1.41Å | Aromatic |
| CAT | CAA | sing | 1.51Å | 1.39Å | |
| CAT | CAP | doub | 1.38Å | 1.39Å | Aromatic |
| CAU | CAP | sing | 1.38Å | 1.38Å | Aromatic |
| CAU | CAB | sing | 1.51Å | 1.40Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAB | H4 | sing | 1.09Å | 1.10Å | |
| CAB | H5 | sing | 1.09Å | 1.10Å | |
| CAB | H6 | sing | 1.09Å | 1.10Å | |
| CAC | H7 | sing | 1.09Å | 1.10Å | |
| CAC | H8 | sing | 1.09Å | 1.10Å | |
| CAC | H9 | sing | 1.09Å | 1.10Å | |
| CAF | H10 | sing | 1.09Å | 1.10Å | |
| CAF | H11 | sing | 1.09Å | 1.10Å | |
| CAH | H12 | sing | 1.08Å | 1.08Å | |
| CAI | H13 | sing | 1.08Å | 1.08Å | |
| CAJ | H14 | sing | 1.08Å | 1.08Å | |
| CAK | H15 | sing | 1.08Å | 1.08Å | |
| CAL | H16 | sing | 1.08Å | 1.08Å | |
| CAM | H17 | sing | 1.08Å | 1.08Å | |
| CAN | H18 | sing | 1.08Å | 1.08Å | |
| CAO | H19 | sing | 1.08Å | 1.08Å | |
| CAP | H20 | sing | 1.08Å | 1.08Å | |
| CAQ | H21 | sing | 1.08Å | 1.08Å | |
| CAR | H22 | sing | 1.08Å | 1.08Å | |
| NAG | H23 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAJ | CAH | CAI | 118.7° | 120.0° |
| CAH | CAJ | CAL | 120.3° | 120.0° |
| CAJ | CAH | H12 | 120.6° | 120.0° |
| CAH | CAJ | H14 | 119.8° | 120.0° |
| CAH | CAI | CAK | 120.8° | 120.0° |
| CAI | CAH | H12 | 120.6° | 120.0° |
| CAH | CAI | H13 | 119.6° | 120.0° |
| CAJ | CAL | CAW | 120.8° | 120.1° |
| CAL | CAJ | H14 | 119.9° | 120.0° |
| CAJ | CAL | H16 | 119.6° | 120.0° |
| CAI | CAK | CAW | 120.4° | 120.0° |
| CAK | CAI | H13 | 119.6° | 120.0° |
| CAI | CAK | H15 | 119.8° | 120.0° |
| CAL | CAW | CAK | 118.8° | 120.0° |
| CAL | CAW | CAF | 120.8° | 120.0° |
| CAW | CAL | H16 | 119.6° | 120.0° |
| CAK | CAW | CAF | 120.4° | 120.0° |
| CAW | CAK | H15 | 119.8° | 120.0° |
| CAW | CAF | NAZ | 114.1° | 109.5° |
| CAW | CAF | H10 | 108.3° | 109.5° |
| CAW | CAF | H11 | 108.3° | 109.5° |
| CAF | NAZ | CBB | 132.5° | 126.4° |
| CAF | NAZ | CAN | 120.9° | 126.4° |
| NAZ | CAF | H10 | 108.3° | 109.5° |
| NAZ | CAF | H11 | 108.3° | 109.5° |
| CAM | CAO | CBB | 120.2° | 119.9° |
| CAO | CAM | CAX | 121.7° | 120.4° |
| CAO | CAM | H17 | 119.2° | 119.8° |
| CAM | CAO | H19 | 119.9° | 120.0° |
| CAO | CBB | NAZ | 131.0° | 133.9° |
| CAO | CBB | CBA | 119.6° | 120.1° |
| CBB | CAO | H19 | 119.9° | 120.1° |
| CAM | CAX | NAG | 115.9° | 119.8° |
| CAM | CAX | CAR | 115.8° | 120.4° |
| CAX | CAM | H17 | 119.2° | 119.8° |
| CAC | CAV | CAQ | 118.5° | 120.0° |
| CAC | CAV | CAY | 121.0° | 120.0° |
| CAV | CAC | H7 | 109.5° | 109.5° |
| CAV | CAC | H8 | 109.5° | 109.5° |
| CAV | CAC | H9 | 109.4° | 109.5° |
| CBB | NAZ | CAN | 106.6° | 107.2° |
| NAZ | CBB | CBA | 109.4° | 106.0° |
| NAZ | CAN | NAS | 108.9° | 110.1° |
| NAZ | CAN | H18 | 125.5° | 124.9° |
| CBB | CBA | CAR | 122.6° | 119.6° |
| CBB | CBA | NAS | 106.1° | 106.9° |
| NAG | CAX | CAR | 128.2° | 119.8° |
| CAX | NAG | SBC | 127.1° | 120.0° |
| CAX | NAG | H23 | 104.9° | 120.0° |
| CAX | CAR | CBA | 120.0° | 119.7° |
| CAX | CAR | H22 | 120.0° | 120.1° |
| NAG | SBC | OAD | 109.6° | 106.4° |
| NAG | SBC | CAY | 115.1° | 107.3° |
| NAG | SBC | OAE | 105.2° | 106.4° |
| SBC | NAG | H23 | 104.9° | 120.0° |
| CAN | NAS | CBA | 108.9° | 109.7° |
| NAS | CAN | H18 | 125.6° | 125.0° |
| CAQ | CAV | CAY | 120.5° | 120.0° |
| CAV | CAQ | CAT | 119.6° | 120.0° |
| CAV | CAQ | H21 | 120.2° | 120.0° |
| CAV | CAY | SBC | 118.9° | 120.0° |
| CAV | CAY | CAU | 119.0° | 120.0° |
| CAR | CBA | NAS | 131.2° | 133.5° |
| CBA | CAR | H22 | 120.0° | 120.2° |
| CAQ | CAT | CAA | 121.2° | 120.0° |
| CAQ | CAT | CAP | 120.3° | 120.0° |
| CAT | CAQ | H21 | 120.2° | 120.0° |
| OAD | SBC | CAY | 106.4° | 106.4° |
| OAD | SBC | OAE | 105.5° | 123.1° |
| CAY | SBC | OAE | 114.5° | 106.4° |
| SBC | CAY | CAU | 122.0° | 120.0° |
| CAY | CAU | CAP | 119.5° | 120.0° |
| CAY | CAU | CAB | 124.5° | 120.0° |
| CAA | CAT | CAP | 118.5° | 120.0° |
| CAT | CAA | H1 | 109.5° | 109.5° |
| CAT | CAA | H2 | 109.5° | 109.5° |
| CAT | CAA | H3 | 109.5° | 109.5° |
| CAT | CAP | CAU | 120.9° | 120.0° |
| CAT | CAP | H20 | 119.6° | 120.0° |
| CAP | CAU | CAB | 115.9° | 120.0° |
| CAU | CAP | H20 | 119.6° | 120.0° |
| CAU | CAB | H4 | 109.5° | 109.5° |
| CAU | CAB | H5 | 109.5° | 109.5° |
| CAU | CAB | H6 | 109.5° | 109.5° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.4° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.4° |
| H4 | CAB | H5 | 109.5° | 109.4° |
| H4 | CAB | H6 | 109.5° | 109.5° |
| H5 | CAB | H6 | 109.5° | 109.5° |
| H7 | CAC | H8 | 109.4° | 109.4° |
| H7 | CAC | H9 | 109.5° | 109.5° |
| H8 | CAC | H9 | 109.5° | 109.4° |
| H10 | CAF | H11 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAJ | CAH | CAI | H12 | 180.0° | 179.7° |
| CAH | CAJ | CAL | H14 | 180.0° | 179.9° |
| CAJ | CAH | CAI | CAK | 0.1° | 0.1° |
| CAH | CAJ | CAL | CAW | 0.6° | 0.1° |
| CAJ | CAH | CAI | H13 | 179.9° | 180.0° |
| CAH | CAJ | CAL | H16 | 179.4° | 179.9° |
| CAI | CAH | CAJ | CAL | 0.2° | 0.1° |
| CAH | CAI | CAK | H13 | 180.0° | 179.9° |
| CAH | CAI | CAK | CAW | 0.4° | 0.0° |
| CAI | CAH | CAJ | H14 | 179.8° | 180.0° |
| CAH | CAI | CAK | H15 | 179.6° | 180.0° |
| CAJ | CAL | CAW | H16 | 180.0° | 180.0° |
| CAJ | CAL | CAW | CAK | 0.9° | 0.0° |
| CAJ | CAL | CAW | CAF | 179.7° | 180.0° |
| CAL | CAJ | CAH | H12 | 179.8° | 179.8° |
| CAI | CAK | CAW | CAL | 0.8° | 0.1° |
| CAI | CAK | CAW | H15 | 180.0° | 180.0° |
| CAI | CAK | CAW | CAF | 179.8° | 180.0° |
| CAK | CAI | CAH | H12 | 179.9° | 179.7° |
| CAL | CAW | CAK | CAF | 179.5° | 180.0° |
| CAL | CAW | CAF | NAZ | 75.2° | 90.0° |
| CAL | CAW | CAF | H10 | 164.1° | 30.0° |
| CAL | CAW | CAF | H11 | 45.5° | 150.0° |
| CAW | CAL | CAJ | H14 | 179.4° | 179.9° |
| CAL | CAW | CAK | H15 | 179.2° | 180.0° |
| CAK | CAW | CAF | NAZ | 105.4° | 90.0° |
| CAK | CAW | CAF | H10 | 15.3° | 150.0° |
| CAK | CAW | CAF | H11 | 133.9° | 30.1° |
| CAW | CAK | CAI | H13 | 179.6° | 179.9° |
| CAK | CAW | CAL | H16 | 179.1° | 180.0° |
| CAW | CAF | NAZ | H10 | 120.7° | 120.0° |
| CAW | CAF | NAZ | H11 | 120.7° | 120.1° |
| CAW | CAF | NAZ | CBB | 40.0° | 85.0° |
| CAW | CAF | NAZ | CAN | 139.7° | 95.0° |
| CAW | CAF | H10 | H11 | 117.9° | 120.0° |
| CAF | CAW | CAK | H15 | 0.2° | 0.0° |
| CAF | CAW | CAL | H16 | 0.3° | 0.0° |
| CAF | NAZ | CBB | CAO | 0.5° | 0.0° |
| CAF | NAZ | CBB | CAN | 179.8° | 180.0° |
| CAF | NAZ | CBB | CBA | 179.8° | 180.0° |
| CAF | NAZ | CAN | NAS | 179.9° | 180.0° |
| NAZ | CAF | H10 | H11 | 117.9° | 120.0° |
| CAF | NAZ | CAN | H18 | 0.1° | 0.1° |
| CAM | CAO | CBB | H19 | 180.0° | 179.9° |
| CAO | CAM | CAX | H17 | 180.0° | 179.6° |
| CAM | CAO | CBB | NAZ | 179.1° | 180.0° |
| CAM | CAO | CBB | CBA | 1.3° | 0.0° |
| CAO | CAM | CAX | NAG | 179.1° | 179.7° |
| CAO | CAM | CAX | CAR | 3.7° | 0.3° |
| CBB | CAO | CAM | CAX | 3.2° | 0.0° |
| CAO | CBB | NAZ | CBA | 179.7° | 180.0° |
| CAO | CBB | NAZ | CAN | 179.7° | 180.0° |
| CAO | CBB | CBA | CAR | 0.1° | 0.2° |
| CAO | CBB | CBA | NAS | 179.7° | 180.0° |
| CBB | CAO | CAM | H17 | 176.8° | 179.7° |
| CAM | CAX | NAG | CAR | 176.8° | 180.0° |
| CAM | CAX | NAG | SBC | 179.5° | 46.8° |
| CAM | CAX | CAR | CBA | 2.4° | 0.5° |
| CAX | CAM | CAO | H19 | 176.8° | 180.0° |
| CAM | CAX | CAR | H22 | 177.6° | 180.0° |
| CAM | CAX | NAG | H23 | 58.1° | 133.2° |
| CAC | CAV | CAQ | CAY | 178.5° | 179.7° |
| CAC | CAV | CAQ | CAT | 179.8° | 180.0° |
| CAC | CAV | CAY | SBC | 2.3° | 0.3° |
| CAC | CAV | CAY | CAU | 177.7° | 180.0° |
| CAV | CAC | H7 | H8 | 120.0° | 120.0° |
| CAV | CAC | H7 | H9 | 120.0° | 120.0° |
| CAV | CAC | H8 | H9 | 120.0° | 120.0° |
| CAC | CAV | CAQ | H21 | 0.2° | 0.0° |
| CBB | NAZ | CAN | NAS | 0.1° | 0.0° |
| NAZ | CBB | CBA | CAR | 179.8° | 179.8° |
| NAZ | CBB | CBA | NAS | 0.0° | 0.0° |
| CBB | NAZ | CAF | H10 | 80.7° | 35.0° |
| CBB | NAZ | CAF | H11 | 160.7° | 155.0° |
| CBB | NAZ | CAN | H18 | 179.9° | 180.0° |
| NAZ | CBB | CAO | H19 | 0.9° | 0.0° |
| CAN | NAZ | CBB | CBA | 0.0° | 0.0° |
| NAZ | CAN | NAS | H18 | 180.0° | 180.0° |
| NAZ | CAN | NAS | CBA | 0.1° | 0.0° |
| CAN | NAZ | CAF | H10 | 99.6° | 145.0° |
| CAN | NAZ | CAF | H11 | 19.1° | 25.1° |
| CBB | CBA | CAR | CAX | 0.7° | 0.5° |
| CBB | CBA | NAS | CAN | 0.1° | 0.0° |
| CBB | CBA | CAR | NAS | 179.7° | 179.7° |
| CBA | CBB | CAO | H19 | 178.8° | 179.9° |
| CBB | CBA | CAR | H22 | 179.3° | 180.0° |
| CAX | NAG | SBC | H23 | 122.3° | 179.9° |
| NAG | CAX | CAR | CBA | 179.2° | 179.5° |
| CAX | NAG | SBC | OAD | 165.7° | 49.1° |
| CAX | NAG | SBC | CAY | 45.9° | 64.4° |
| CAX | NAG | SBC | OAE | 81.2° | 178.0° |
| NAG | CAX | CAM | H17 | 0.8° | 0.1° |
| NAG | CAX | CAR | H22 | 0.8° | 0.0° |
| CAR | CAX | NAG | SBC | 3.7° | 133.2° |
| CAX | CAR | CBA | H22 | 180.0° | 179.5° |
| CAX | CAR | CBA | NAS | 179.0° | 179.8° |
| CAR | CAX | CAM | H17 | 176.4° | 179.9° |
| CAR | CAX | NAG | H23 | 118.7° | 46.7° |
| NAG | SBC | CAY | CAV | 56.2° | 76.0° |
| NAG | SBC | OAD | CAY | 125.1° | 114.1° |
| NAG | SBC | OAD | OAE | 112.9° | 122.9° |
| NAG | SBC | CAY | OAE | 122.2° | 113.6° |
| NAG | SBC | CAY | CAU | 128.5° | 104.3° |
| CAN | NAS | CBA | CAR | 179.8° | 179.7° |
| CAV | CAQ | CAT | H21 | 180.0° | 180.0° |
| CAQ | CAV | CAY | SBC | 179.2° | 180.0° |
| CAQ | CAV | CAY | CAU | 3.8° | 0.3° |
| CAV | CAQ | CAT | CAA | 179.8° | 180.0° |
| CAV | CAQ | CAT | CAP | 0.4° | 0.1° |
| CAQ | CAV | CAC | H7 | 89.3° | 98.2° |
| CAQ | CAV | CAC | H8 | 150.7° | 141.8° |
| CAQ | CAV | CAC | H9 | 30.7° | 21.8° |
| CAY | CAV | CAQ | CAT | 1.3° | 0.3° |
| CAV | CAY | SBC | OAD | 65.4° | 170.4° |
| CAV | CAY | SBC | CAU | 175.3° | 179.7° |
| CAV | CAY | SBC | OAE | 178.4° | 37.6° |
| CAV | CAY | CAU | CAP | 4.7° | 0.0° |
| CAV | CAY | CAU | CAB | 179.4° | 180.0° |
| CAY | CAV | CAC | H7 | 89.2° | 81.5° |
| CAY | CAV | CAC | H8 | 30.8° | 38.5° |
| CAY | CAV | CAC | H9 | 150.8° | 158.5° |
| CAY | CAV | CAQ | H21 | 178.7° | 179.7° |
| CBA | NAS | CAN | H18 | 179.9° | 180.0° |
| NAS | CBA | CAR | H22 | 1.0° | 0.3° |
| CAQ | CAT | CAA | CAP | 179.4° | 179.9° |
| CAQ | CAT | CAP | CAU | 0.6° | 0.3° |
| CAQ | CAT | CAA | H1 | 89.7° | 90.0° |
| CAQ | CAT | CAA | H2 | 150.3° | 150.0° |
| CAQ | CAT | CAA | H3 | 30.3° | 30.0° |
| CAQ | CAT | CAP | H20 | 179.4° | 180.0° |
| OAD | SBC | CAY | OAE | 116.2° | 132.9° |
| OAD | SBC | CAY | CAU | 109.9° | 9.3° |
| OAD | SBC | NAG | H23 | 43.4° | 131.0° |
| SBC | CAY | CAU | CAP | 179.9° | 179.7° |
| SBC | CAY | CAU | CAB | 4.1° | 0.3° |
| CAY | SBC | NAG | H23 | 76.5° | 115.5° |
| OAE | SBC | CAY | CAU | 6.3° | 142.1° |
| OAE | SBC | NAG | H23 | 156.4° | 1.9° |
| CAY | CAU | CAP | CAT | 3.1° | 0.3° |
| CAY | CAU | CAP | CAB | 176.3° | 180.0° |
| CAY | CAU | CAB | H4 | 87.7° | 81.5° |
| CAY | CAU | CAB | H5 | 152.3° | 38.4° |
| CAY | CAU | CAB | H6 | 32.3° | 158.5° |
| CAY | CAU | CAP | H20 | 176.9° | 180.0° |
| CAA | CAT | CAP | CAU | 178.8° | 179.7° |
| CAT | CAA | H1 | H2 | 120.0° | 120.0° |
| CAT | CAA | H1 | H3 | 120.0° | 120.0° |
| CAT | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAT | CAP | H20 | 1.2° | 0.1° |
| CAA | CAT | CAQ | H21 | 0.3° | 0.1° |
| CAT | CAP | CAU | H20 | 180.0° | 179.7° |
| CAT | CAP | CAU | CAB | 179.4° | 179.7° |
| CAP | CAT | CAA | H1 | 89.7° | 90.0° |
| CAP | CAT | CAA | H2 | 30.3° | 30.1° |
| CAP | CAT | CAA | H3 | 150.3° | 150.0° |
| CAP | CAT | CAQ | H21 | 179.7° | 180.0° |
| CAP | CAU | CAB | H4 | 88.4° | 98.5° |
| CAP | CAU | CAB | H5 | 31.6° | 141.6° |
| CAP | CAU | CAB | H6 | 151.6° | 21.5° |
| CAU | CAB | H4 | H5 | 120.0° | 120.0° |
| CAU | CAB | H4 | H6 | 120.0° | 120.0° |
| CAU | CAB | H5 | H6 | 120.0° | 120.0° |
| CAB | CAU | CAP | H20 | 0.6° | 0.1° |
| H1 | CAA | H2 | H3 | 119.9° | 120.0° |
| H4 | CAB | H5 | H6 | 120.0° | 120.0° |
| H7 | CAC | H8 | H9 | 120.0° | 120.0° |
| H12 | CAH | CAI | H13 | 0.1° | 0.4° |
| H12 | CAH | CAJ | H14 | 0.2° | 0.4° |
| H13 | CAI | CAK | H15 | 0.4° | 0.1° |
| H14 | CAJ | CAL | H16 | 0.6° | 0.0° |
| H17 | CAM | CAO | H19 | 3.1° | 0.4° |
