O42
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAG | CAH | doub | 1.38Å | 1.38Å | Aromatic |
| CAG | CAI | sing | 1.38Å | 1.38Å | Aromatic |
| CAH | CAN | sing | 1.38Å | 1.39Å | Aromatic |
| OAB | CAS | doub | 1.22Å | 1.23Å | |
| CAI | CAU | doub | 1.38Å | 1.38Å | Aromatic |
| CAO | CAQ | sing | 1.53Å | 1.49Å | |
| CAO | NAY | sing | 1.47Å | 1.44Å | |
| CAN | CAX | doub | 1.40Å | 1.40Å | Aromatic |
| CAQ | NAZ | sing | 1.47Å | 1.47Å | |
| CAS | NAY | sing | 1.35Å | 1.34Å | |
| CAS | CAV | sing | 1.48Å | 1.52Å | |
| CAU | CAX | sing | 1.40Å | 1.40Å | Aromatic |
| NAY | CAP | sing | 1.47Å | 1.45Å | |
| CAX | CAT | sing | 1.48Å | 1.51Å | |
| CAV | CAJ | doub | 1.40Å | 1.41Å | Aromatic |
| CAV | CAK | sing | 1.40Å | 1.39Å | Aromatic |
| NAZ | CAT | sing | 1.35Å | 1.34Å | |
| NAZ | CAR | sing | 1.47Å | 1.48Å | |
| CAJ | CAL | sing | 1.38Å | 1.41Å | Aromatic |
| CAT | OAC | doub | 1.22Å | 1.21Å | |
| CAK | CAM | doub | 1.38Å | 1.41Å | Aromatic |
| CAP | CAR | sing | 1.53Å | 1.53Å | |
| CAL | CAW | doub | 1.38Å | 1.41Å | Aromatic |
| CAM | CAW | sing | 1.38Å | 1.41Å | Aromatic |
| CAW | SBA | sing | 1.76Å | 1.79Å | |
| NAA | SBA | sing | 1.66Å | 1.59Å | |
| OAE | SBA | doub | 1.42Å | 1.44Å | |
| SBA | OAD | doub | 1.42Å | 1.44Å | |
| NAA | H1 | sing | 0.97Å | 1.00Å | |
| NAA | H2 | sing | 0.97Å | 1.00Å | |
| CAL | H3 | sing | 1.08Å | 1.08Å | |
| CAJ | H4 | sing | 1.08Å | 1.08Å | |
| CAM | H5 | sing | 1.08Å | 1.08Å | |
| CAK | H6 | sing | 1.08Å | 1.08Å | |
| CAP | H7 | sing | 1.09Å | 1.10Å | |
| CAP | H8 | sing | 1.09Å | 1.10Å | |
| CAR | H9 | sing | 1.09Å | 1.10Å | |
| CAR | H10 | sing | 1.09Å | 1.10Å | |
| CAO | H11 | sing | 1.09Å | 1.10Å | |
| CAO | H12 | sing | 1.09Å | 1.10Å | |
| CAQ | H13 | sing | 1.09Å | 1.10Å | |
| CAQ | H14 | sing | 1.09Å | 1.10Å | |
| CAU | H15 | sing | 1.08Å | 1.08Å | |
| CAN | H16 | sing | 1.08Å | 1.08Å | |
| CAH | H17 | sing | 1.08Å | 1.08Å | |
| CAG | H18 | sing | 1.08Å | 1.08Å | |
| CAI | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAH | CAG | CAI | 120.2° | 120.2° |
| CAG | CAH | CAN | 120.3° | 120.2° |
| CAG | CAH | H17 | 119.9° | 119.9° |
| CAH | CAG | H18 | 119.9° | 119.9° |
| CAG | CAI | CAU | 119.8° | 120.2° |
| CAI | CAG | H18 | 119.9° | 119.9° |
| CAG | CAI | H19 | 120.1° | 119.9° |
| CAH | CAN | CAX | 120.3° | 119.8° |
| CAH | CAN | H16 | 119.9° | 120.1° |
| CAN | CAH | H17 | 119.9° | 120.0° |
| OAB | CAS | NAY | 120.8° | 120.0° |
| OAB | CAS | CAV | 118.1° | 120.0° |
| CAI | CAU | CAX | 121.2° | 119.9° |
| CAI | CAU | H15 | 119.4° | 120.0° |
| CAU | CAI | H19 | 120.1° | 120.0° |
| CAQ | CAO | NAY | 109.3° | 108.6° |
| CAO | CAQ | NAZ | 111.0° | 108.7° |
| CAQ | CAO | H11 | 109.5° | 109.6° |
| CAQ | CAO | H12 | 109.5° | 109.6° |
| CAO | CAQ | H13 | 109.1° | 109.6° |
| CAO | CAQ | H14 | 109.1° | 109.7° |
| CAO | NAY | CAS | 122.6° | 120.5° |
| CAO | NAY | CAP | 112.4° | 118.8° |
| NAY | CAO | H11 | 109.5° | 109.5° |
| NAY | CAO | H12 | 109.5° | 109.7° |
| CAN | CAX | CAU | 118.2° | 119.7° |
| CAN | CAX | CAT | 119.9° | 120.1° |
| CAX | CAN | H16 | 119.9° | 120.1° |
| CAQ | NAZ | CAT | 123.8° | 120.6° |
| CAQ | NAZ | CAR | 113.6° | 118.7° |
| NAZ | CAQ | H13 | 109.1° | 109.6° |
| NAZ | CAQ | H14 | 109.1° | 109.5° |
| NAY | CAS | CAV | 121.0° | 119.9° |
| CAS | NAY | CAP | 124.9° | 120.6° |
| CAS | CAV | CAJ | 120.9° | 120.1° |
| CAS | CAV | CAK | 119.8° | 120.2° |
| CAU | CAX | CAT | 121.8° | 120.1° |
| CAX | CAU | H15 | 119.4° | 120.1° |
| NAY | CAP | CAR | 110.2° | 108.7° |
| NAY | CAP | H7 | 109.3° | 109.6° |
| NAY | CAP | H8 | 109.3° | 109.6° |
| CAX | CAT | NAZ | 118.7° | 120.0° |
| CAX | CAT | OAC | 119.6° | 120.0° |
| CAJ | CAV | CAK | 118.9° | 119.7° |
| CAV | CAJ | CAL | 121.0° | 119.8° |
| CAV | CAJ | H4 | 119.5° | 120.1° |
| CAV | CAK | CAM | 121.1° | 119.8° |
| CAV | CAK | H6 | 119.5° | 120.1° |
| CAT | NAZ | CAR | 122.4° | 120.7° |
| NAZ | CAT | OAC | 121.6° | 120.0° |
| NAZ | CAR | CAP | 113.3° | 108.6° |
| NAZ | CAR | H9 | 108.5° | 109.6° |
| NAZ | CAR | H10 | 108.5° | 109.7° |
| CAJ | CAL | CAW | 119.9° | 120.1° |
| CAJ | CAL | H3 | 120.1° | 119.9° |
| CAL | CAJ | H4 | 119.5° | 120.1° |
| CAK | CAM | CAW | 120.0° | 120.2° |
| CAK | CAM | H5 | 120.0° | 119.9° |
| CAM | CAK | H6 | 119.5° | 120.1° |
| CAR | CAP | H7 | 109.3° | 109.6° |
| CAR | CAP | H8 | 109.3° | 109.6° |
| CAP | CAR | H9 | 108.5° | 109.6° |
| CAP | CAR | H10 | 108.5° | 109.6° |
| CAL | CAW | CAM | 119.1° | 120.3° |
| CAL | CAW | SBA | 120.7° | 119.9° |
| CAW | CAL | H3 | 120.1° | 119.9° |
| CAM | CAW | SBA | 120.2° | 119.9° |
| CAW | CAM | H5 | 120.0° | 119.9° |
| CAW | SBA | NAA | 108.7° | 107.2° |
| CAW | SBA | OAE | 106.7° | 106.4° |
| CAW | SBA | OAD | 105.9° | 106.4° |
| NAA | SBA | OAE | 108.5° | 106.4° |
| NAA | SBA | OAD | 109.2° | 106.4° |
| SBA | NAA | H1 | 109.5° | 120.0° |
| SBA | NAA | H2 | 109.5° | 120.0° |
| OAE | SBA | OAD | 117.5° | 123.1° |
| H1 | NAA | H2 | 109.5° | 120.0° |
| H7 | CAP | H8 | 109.5° | 109.7° |
| H9 | CAR | H10 | 109.5° | 109.7° |
| H11 | CAO | H12 | 109.5° | 109.8° |
| H13 | CAQ | H14 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAH | CAG | CAI | H18 | 180.0° | 179.7° |
| CAG | CAH | CAN | H17 | 180.0° | 179.9° |
| CAH | CAG | CAI | CAU | 0.1° | 0.2° |
| CAG | CAH | CAN | CAX | 0.7° | 0.1° |
| CAG | CAH | CAN | H16 | 179.4° | 180.0° |
| CAH | CAG | CAI | H19 | 179.9° | 180.0° |
| CAI | CAG | CAH | CAN | 0.1° | 0.2° |
| CAG | CAI | CAU | H19 | 180.0° | 179.7° |
| CAG | CAI | CAU | CAX | 0.5° | 0.0° |
| CAG | CAI | CAU | H15 | 179.4° | 180.0° |
| CAI | CAG | CAH | H17 | 179.8° | 179.7° |
| CAH | CAN | CAX | H16 | 180.0° | 180.0° |
| CAH | CAN | CAX | CAU | 1.1° | 0.3° |
| CAH | CAN | CAX | CAT | 179.2° | 180.0° |
| CAN | CAH | CAG | H18 | 179.9° | 179.9° |
| OAB | CAS | NAY | CAO | 4.5° | 5.2° |
| OAB | CAS | NAY | CAV | 175.7° | 180.0° |
| OAB | CAS | NAY | CAP | 179.1° | 174.5° |
| OAB | CAS | CAV | CAJ | 109.2° | 33.5° |
| OAB | CAS | CAV | CAK | 63.7° | 146.2° |
| CAI | CAU | CAX | CAN | 1.1° | 0.3° |
| CAI | CAU | CAX | H15 | 180.0° | 180.0° |
| CAI | CAU | CAX | CAT | 179.1° | 179.9° |
| CAU | CAI | CAG | H18 | 179.9° | 179.9° |
| CAQ | CAO | NAY | H11 | 120.0° | 119.7° |
| CAQ | CAO | NAY | H12 | 120.0° | 119.8° |
| CAO | CAQ | NAZ | H13 | 120.2° | 119.8° |
| CAO | CAQ | NAZ | H14 | 120.2° | 119.8° |
| CAQ | CAO | NAY | CAS | 113.6° | 124.8° |
| CAQ | CAO | NAY | CAP | 63.2° | 54.9° |
| CAO | CAQ | NAZ | CAT | 134.3° | 124.7° |
| CAO | CAQ | NAZ | CAR | 50.9° | 55.5° |
| CAQ | CAO | H11 | H12 | 120.1° | 120.4° |
| CAO | CAQ | H13 | H14 | 119.3° | 120.5° |
| NAY | CAO | CAQ | NAZ | 58.8° | 49.5° |
| CAO | NAY | CAS | CAP | 176.4° | 179.7° |
| CAO | NAY | CAS | CAV | 179.7° | 174.9° |
| CAO | NAY | CAP | CAR | 56.7° | 55.0° |
| CAO | NAY | CAP | H7 | 176.8° | 64.8° |
| CAO | NAY | CAP | H8 | 63.4° | 174.7° |
| NAY | CAO | H11 | H12 | 120.1° | 120.5° |
| NAY | CAO | CAQ | H13 | 179.0° | 70.3° |
| NAY | CAO | CAQ | H14 | 61.4° | 169.2° |
| CAN | CAX | CAU | CAT | 178.1° | 179.7° |
| CAN | CAX | CAT | NAZ | 103.3° | 44.9° |
| CAN | CAX | CAT | OAC | 77.3° | 135.1° |
| CAN | CAX | CAU | H15 | 178.9° | 179.8° |
| CAX | CAN | CAH | H17 | 179.3° | 180.0° |
| CAQ | NAZ | CAT | CAX | 1.4° | 4.3° |
| CAQ | NAZ | CAT | CAR | 174.4° | 179.8° |
| CAQ | NAZ | CAT | OAC | 177.9° | 175.6° |
| CAQ | NAZ | CAR | CAP | 45.3° | 55.4° |
| CAQ | NAZ | CAR | H9 | 165.9° | 175.2° |
| CAQ | NAZ | CAR | H10 | 75.3° | 64.3° |
| NAZ | CAQ | CAO | H11 | 178.8° | 169.1° |
| NAZ | CAQ | CAO | H12 | 61.2° | 70.4° |
| NAZ | CAQ | H13 | H14 | 119.3° | 120.3° |
| NAY | CAS | CAV | CAJ | 66.7° | 146.4° |
| NAY | CAS | CAV | CAK | 120.4° | 33.8° |
| CAS | NAY | CAP | CAR | 120.0° | 124.7° |
| CAS | NAY | CAP | H7 | 0.1° | 115.5° |
| CAS | NAY | CAP | H8 | 119.9° | 5.0° |
| CAS | NAY | CAO | H11 | 6.4° | 5.1° |
| CAS | NAY | CAO | H12 | 126.4° | 115.5° |
| CAV | CAS | NAY | CAP | 3.3° | 5.4° |
| CAS | CAV | CAJ | CAK | 172.9° | 179.7° |
| CAS | CAV | CAJ | CAL | 175.7° | 180.0° |
| CAS | CAV | CAK | CAM | 174.5° | 180.0° |
| CAS | CAV | CAJ | H4 | 4.3° | 0.0° |
| CAS | CAV | CAK | H6 | 5.5° | 0.0° |
| CAU | CAX | CAT | NAZ | 78.6° | 135.5° |
| CAU | CAX | CAT | OAC | 100.7° | 44.5° |
| CAU | CAX | CAN | H16 | 178.9° | 179.7° |
| CAX | CAU | CAI | H19 | 179.5° | 179.7° |
| NAY | CAP | CAR | NAZ | 46.8° | 49.4° |
| NAY | CAP | CAR | H7 | 120.1° | 119.8° |
| NAY | CAP | CAR | H8 | 120.1° | 119.8° |
| NAY | CAP | H7 | H8 | 119.7° | 120.4° |
| NAY | CAP | CAR | H9 | 167.4° | 169.1° |
| NAY | CAP | CAR | H10 | 73.7° | 70.5° |
| CAP | NAY | CAO | H11 | 176.8° | 174.6° |
| CAP | NAY | CAO | H12 | 56.8° | 64.8° |
| CAX | CAT | NAZ | OAC | 179.4° | 180.0° |
| CAX | CAT | NAZ | CAR | 175.9° | 175.9° |
| CAT | CAX | CAU | H15 | 0.8° | 0.1° |
| CAT | CAX | CAN | H16 | 0.8° | 0.1° |
| CAV | CAJ | CAL | H4 | 180.0° | 180.0° |
| CAJ | CAV | CAK | CAM | 1.5° | 0.3° |
| CAV | CAJ | CAL | CAW | 3.2° | 0.0° |
| CAV | CAJ | CAL | H3 | 176.8° | 180.0° |
| CAJ | CAV | CAK | H6 | 178.5° | 179.7° |
| CAK | CAV | CAJ | CAL | 2.8° | 0.3° |
| CAV | CAK | CAM | H6 | 180.0° | 180.0° |
| CAV | CAK | CAM | CAW | 0.6° | 0.0° |
| CAK | CAV | CAJ | H4 | 177.2° | 179.7° |
| CAV | CAK | CAM | H5 | 179.4° | 180.0° |
| CAT | NAZ | CAR | CAP | 139.8° | 124.8° |
| CAT | NAZ | CAR | H9 | 19.2° | 5.0° |
| CAT | NAZ | CAR | H10 | 99.7° | 115.4° |
| CAT | NAZ | CAQ | H13 | 14.0° | 115.4° |
| CAT | NAZ | CAQ | H14 | 105.5° | 5.0° |
| CAR | NAZ | CAT | OAC | 3.5° | 4.1° |
| NAZ | CAR | CAP | H9 | 120.6° | 119.7° |
| NAZ | CAR | CAP | H10 | 120.5° | 119.8° |
| NAZ | CAR | CAP | H7 | 166.9° | 70.4° |
| NAZ | CAR | CAP | H8 | 73.3° | 169.2° |
| NAZ | CAR | H9 | H10 | 118.2° | 120.5° |
| CAR | NAZ | CAQ | H13 | 171.1° | 64.3° |
| CAR | NAZ | CAQ | H14 | 69.4° | 175.3° |
| CAJ | CAL | CAW | H3 | 180.0° | 180.0° |
| CAJ | CAL | CAW | CAM | 2.3° | 0.3° |
| CAJ | CAL | CAW | SBA | 178.5° | 180.0° |
| CAK | CAM | CAW | CAL | 1.0° | 0.2° |
| CAK | CAM | CAW | H5 | 180.0° | 180.0° |
| CAK | CAM | CAW | SBA | 179.8° | 180.0° |
| CAR | CAP | H7 | H8 | 119.6° | 120.4° |
| CAP | CAR | H9 | H10 | 118.3° | 120.4° |
| CAL | CAW | CAM | SBA | 179.2° | 179.7° |
| CAL | CAW | SBA | NAA | 43.5° | 90.0° |
| CAL | CAW | SBA | OAE | 160.4° | 23.6° |
| CAL | CAW | SBA | OAD | 73.7° | 156.5° |
| CAW | CAL | CAJ | H4 | 176.8° | 180.0° |
| CAL | CAW | CAM | H5 | 179.0° | 179.8° |
| CAM | CAW | SBA | NAA | 137.2° | 90.3° |
| CAM | CAW | SBA | OAE | 20.4° | 156.2° |
| CAM | CAW | SBA | OAD | 105.5° | 23.3° |
| CAM | CAW | CAL | H3 | 177.7° | 179.7° |
| CAW | CAM | CAK | H6 | 179.4° | 180.0° |
| CAW | SBA | NAA | OAE | 115.7° | 113.5° |
| CAW | SBA | NAA | OAD | 115.1° | 113.5° |
| CAW | SBA | OAE | OAD | 118.6° | 122.9° |
| CAW | SBA | NAA | H1 | 180.0° | 0.0° |
| CAW | SBA | NAA | H2 | 60.0° | 179.9° |
| SBA | CAW | CAL | H3 | 1.5° | 0.0° |
| SBA | CAW | CAM | H5 | 0.2° | 0.1° |
| NAA | SBA | OAE | OAD | 124.4° | 123.0° |
| SBA | NAA | H1 | H2 | 120.0° | 179.9° |
| OAE | SBA | NAA | H1 | 64.3° | 113.5° |
| OAE | SBA | NAA | H2 | 55.7° | 66.4° |
| OAD | SBA | NAA | H1 | 64.9° | 113.6° |
| OAD | SBA | NAA | H2 | 175.1° | 66.5° |
| H3 | CAL | CAJ | H4 | 3.2° | 0.0° |
| H5 | CAM | CAK | H6 | 0.6° | 0.0° |
| H7 | CAP | CAR | H9 | 72.5° | 49.4° |
| H7 | CAP | CAR | H10 | 46.4° | 169.8° |
| H8 | CAP | CAR | H9 | 47.3° | 71.1° |
| H8 | CAP | CAR | H10 | 166.2° | 49.3° |
| H11 | CAO | CAQ | H13 | 61.0° | 49.3° |
| H11 | CAO | CAQ | H14 | 58.5° | 71.2° |
| H12 | CAO | CAQ | H13 | 59.0° | 169.8° |
| H12 | CAO | CAQ | H14 | 178.6° | 49.3° |
| H15 | CAU | CAI | H19 | 0.6° | 0.2° |
| H16 | CAN | CAH | H17 | 0.7° | 0.0° |
| H17 | CAH | CAG | H18 | 0.2° | 0.0° |
| H18 | CAG | CAI | H19 | 0.1° | 0.3° |
