H0H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAP | CAQ | doub | 1.38Å | 1.39Å | Aromatic |
| CAP | CAO | sing | 1.39Å | 1.40Å | Aromatic |
| CAQ | CAL | sing | 1.39Å | 1.40Å | Aromatic |
| OAJ | CAK | doub | 1.22Å | 1.23Å | |
| CAO | CAN | doub | 1.38Å | 1.39Å | Aromatic |
| CAL | CAK | sing | 1.47Å | 1.38Å | |
| CAL | CAM | doub | 1.41Å | 1.39Å | Aromatic |
| CAK | NAT | sing | 1.35Å | 1.41Å | |
| CAN | CAM | sing | 1.39Å | 1.42Å | Aromatic |
| CAM | CAR | sing | 1.47Å | 1.41Å | |
| NAT | CAU | sing | 1.47Å | 1.49Å | |
| NAT | CAS | sing | 1.36Å | 1.36Å | |
| CAU | CAV | sing | 1.51Å | 1.52Å | |
| CBA | CAV | doub | 1.38Å | 1.40Å | Aromatic |
| CBA | CAZ | sing | 1.38Å | 1.38Å | Aromatic |
| CAR | CAS | doub | 1.36Å | 1.38Å | |
| CAR | CAB | sing | 1.47Å | 1.51Å | |
| CAV | CAW | sing | 1.38Å | 1.42Å | Aromatic |
| CAZ | CAY | doub | 1.38Å | 1.39Å | Aromatic |
| CAB | OAA | doub | 1.22Å | 1.22Å | |
| CAB | NAC | sing | 1.35Å | 1.34Å | |
| NAC | CAD | sing | 1.41Å | 1.35Å | |
| CAW | CAX | doub | 1.38Å | 1.39Å | Aromatic |
| CAY | CAX | sing | 1.38Å | 1.39Å | Aromatic |
| CAD | CAI | sing | 1.40Å | 1.34Å | Aromatic |
| CAD | CAE | doub | 1.36Å | 1.35Å | Aromatic |
| CAI | NAH | doub | 1.31Å | 1.33Å | Aromatic |
| CAE | NAF | sing | 1.36Å | 1.31Å | Aromatic |
| NAH | NAF | sing | 1.40Å | 1.36Å | Aromatic |
| NAF | CAG | sing | 1.47Å | 1.48Å | |
| CAG | H1 | sing | 1.09Å | 1.10Å | |
| CAG | H2 | sing | 1.09Å | 1.10Å | |
| CAG | H3 | sing | 1.09Å | 1.10Å | |
| CAE | H4 | sing | 1.08Å | 1.08Å | |
| CAI | H5 | sing | 1.08Å | 1.08Å | |
| NAC | H6 | sing | 0.97Å | 1.00Å | |
| CAS | H7 | sing | 1.08Å | 1.08Å | |
| CAN | H8 | sing | 1.08Å | 1.08Å | |
| CAO | H9 | sing | 1.08Å | 1.08Å | |
| CAP | H10 | sing | 1.08Å | 1.08Å | |
| CAQ | H11 | sing | 1.08Å | 1.08Å | |
| CAU | H12 | sing | 1.09Å | 1.10Å | |
| CAU | H13 | sing | 1.09Å | 1.10Å | |
| CAW | H14 | sing | 1.08Å | 1.08Å | |
| CAX | H15 | sing | 1.08Å | 1.08Å | |
| CAY | H16 | sing | 1.08Å | 1.08Å | |
| CAZ | H17 | sing | 1.08Å | 1.08Å | |
| CBA | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAQ | CAP | CAO | 119.2° | 120.7° |
| CAP | CAQ | CAL | 120.8° | 119.5° |
| CAQ | CAP | H10 | 120.4° | 119.6° |
| CAP | CAQ | H11 | 119.6° | 120.2° |
| CAP | CAO | CAN | 120.4° | 120.7° |
| CAP | CAO | H9 | 119.8° | 119.7° |
| CAO | CAP | H10 | 120.4° | 119.6° |
| CAQ | CAL | CAK | 119.7° | 121.9° |
| CAQ | CAL | CAM | 120.5° | 119.8° |
| CAL | CAQ | H11 | 119.6° | 120.3° |
| OAJ | CAK | CAL | 122.3° | 120.2° |
| OAJ | CAK | NAT | 117.9° | 120.2° |
| CAO | CAN | CAM | 120.8° | 119.6° |
| CAO | CAN | H8 | 119.6° | 120.2° |
| CAN | CAO | H9 | 119.8° | 119.6° |
| CAK | CAL | CAM | 119.8° | 118.3° |
| CAL | CAK | NAT | 119.8° | 119.6° |
| CAL | CAM | CAN | 118.3° | 119.8° |
| CAL | CAM | CAR | 119.3° | 118.3° |
| CAK | NAT | CAU | 118.8° | 118.7° |
| CAK | NAT | CAS | 120.7° | 122.6° |
| CAN | CAM | CAR | 122.4° | 122.0° |
| CAM | CAN | H8 | 119.6° | 120.2° |
| CAM | CAR | CAS | 120.1° | 119.1° |
| CAM | CAR | CAB | 123.8° | 120.5° |
| CAU | NAT | CAS | 120.2° | 118.7° |
| NAT | CAU | CAV | 107.3° | 109.4° |
| NAT | CAU | H12 | 110.0° | 109.5° |
| NAT | CAU | H13 | 110.0° | 109.4° |
| NAT | CAS | CAR | 120.2° | 122.2° |
| NAT | CAS | H7 | 119.9° | 118.9° |
| CAU | CAV | CBA | 122.1° | 120.0° |
| CAU | CAV | CAW | 120.0° | 119.9° |
| CAV | CAU | H12 | 110.0° | 109.5° |
| CAV | CAU | H13 | 110.0° | 109.4° |
| CAV | CBA | CAZ | 122.0° | 120.0° |
| CBA | CAV | CAW | 117.9° | 120.0° |
| CAV | CBA | H18 | 119.0° | 120.0° |
| CBA | CAZ | CAY | 119.7° | 120.0° |
| CBA | CAZ | H17 | 120.2° | 120.0° |
| CAZ | CBA | H18 | 119.0° | 120.0° |
| CAS | CAR | CAB | 115.9° | 120.4° |
| CAR | CAS | H7 | 119.9° | 118.9° |
| CAR | CAB | OAA | 117.0° | 120.0° |
| CAR | CAB | NAC | 117.7° | 120.0° |
| CAV | CAW | CAX | 119.6° | 120.0° |
| CAV | CAW | H14 | 120.2° | 120.1° |
| CAZ | CAY | CAX | 119.3° | 120.0° |
| CAZ | CAY | H16 | 120.3° | 120.0° |
| CAY | CAZ | H17 | 120.1° | 120.0° |
| OAA | CAB | NAC | 124.8° | 120.0° |
| CAB | NAC | CAD | 118.1° | 120.0° |
| CAB | NAC | H6 | 121.0° | 120.0° |
| NAC | CAD | CAI | 128.8° | 126.1° |
| NAC | CAD | CAE | 122.4° | 126.1° |
| CAD | NAC | H6 | 121.0° | 120.0° |
| CAW | CAX | CAY | 121.5° | 120.0° |
| CAX | CAW | H14 | 120.2° | 120.0° |
| CAW | CAX | H15 | 119.2° | 120.0° |
| CAY | CAX | H15 | 119.2° | 120.0° |
| CAX | CAY | H16 | 120.4° | 120.0° |
| CAI | CAD | CAE | 108.7° | 107.8° |
| CAD | CAI | NAH | 107.0° | 108.3° |
| CAD | CAI | H5 | 126.5° | 125.9° |
| CAD | CAE | NAF | 108.1° | 107.5° |
| CAD | CAE | H4 | 125.9° | 126.2° |
| CAI | NAH | NAF | 108.5° | 108.4° |
| NAH | CAI | H5 | 126.5° | 125.8° |
| CAE | NAF | NAH | 107.6° | 107.9° |
| CAE | NAF | CAG | 120.8° | 126.0° |
| NAF | CAE | H4 | 126.0° | 126.3° |
| NAH | NAF | CAG | 131.6° | 126.1° |
| NAF | CAG | H1 | 109.5° | 109.5° |
| NAF | CAG | H2 | 109.5° | 109.5° |
| NAF | CAG | H3 | 109.5° | 109.4° |
| H1 | CAG | H2 | 109.5° | 109.5° |
| H1 | CAG | H3 | 109.5° | 109.5° |
| H2 | CAG | H3 | 109.5° | 109.5° |
| H12 | CAU | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAQ | CAP | CAO | H10 | 180.0° | 180.0° |
| CAP | CAQ | CAL | H11 | 180.0° | 179.9° |
| CAQ | CAP | CAO | CAN | 0.9° | 0.0° |
| CAP | CAQ | CAL | CAK | 179.6° | 180.0° |
| CAP | CAQ | CAL | CAM | 2.1° | 0.1° |
| CAQ | CAP | CAO | H9 | 179.1° | 179.9° |
| CAO | CAP | CAQ | CAL | 1.4° | 0.1° |
| CAP | CAO | CAN | H9 | 180.0° | 179.9° |
| CAP | CAO | CAN | CAM | 2.5° | 0.1° |
| CAP | CAO | CAN | H8 | 177.5° | 180.0° |
| CAO | CAP | CAQ | H11 | 178.5° | 179.9° |
| CAQ | CAL | CAK | OAJ | 0.8° | 0.0° |
| CAQ | CAL | CAK | CAM | 178.3° | 180.0° |
| CAQ | CAL | CAK | NAT | 177.9° | 179.7° |
| CAQ | CAL | CAM | CAN | 0.4° | 0.0° |
| CAQ | CAL | CAM | CAR | 177.2° | 180.0° |
| CAL | CAQ | CAP | H10 | 178.5° | 180.0° |
| OAJ | CAK | CAL | NAT | 178.6° | 179.7° |
| OAJ | CAK | CAL | CAM | 179.1° | 180.0° |
| OAJ | CAK | NAT | CAU | 5.9° | 0.3° |
| OAJ | CAK | NAT | CAS | 179.6° | 179.7° |
| CAO | CAN | CAM | CAL | 1.8° | 0.1° |
| CAO | CAN | CAM | H8 | 180.0° | 179.9° |
| CAO | CAN | CAM | CAR | 179.4° | 179.9° |
| CAN | CAO | CAP | H10 | 179.2° | 179.9° |
| CAK | CAL | CAM | CAN | 178.7° | 180.0° |
| CAK | CAL | CAM | CAR | 1.1° | 0.0° |
| CAL | CAK | NAT | CAU | 175.4° | 180.0° |
| CAL | CAK | NAT | CAS | 1.7° | 0.6° |
| CAK | CAL | CAQ | H11 | 0.4° | 0.1° |
| CAM | CAL | CAK | NAT | 0.4° | 0.3° |
| CAL | CAM | CAN | CAR | 177.5° | 180.0° |
| CAL | CAM | CAR | CAS | 3.1° | 0.0° |
| CAL | CAM | CAR | CAB | 177.5° | 179.7° |
| CAL | CAM | CAN | H8 | 178.1° | 180.0° |
| CAM | CAL | CAQ | H11 | 177.9° | 180.0° |
| CAK | NAT | CAU | CAS | 173.7° | 179.4° |
| CAK | NAT | CAU | CAV | 86.2° | 90.0° |
| CAK | NAT | CAS | CAR | 3.7° | 0.6° |
| CAK | NAT | CAS | H7 | 176.3° | 179.5° |
| CAK | NAT | CAU | H12 | 33.5° | 150.0° |
| CAK | NAT | CAU | H13 | 154.1° | 30.0° |
| CAN | CAM | CAR | CAS | 179.4° | 180.0° |
| CAN | CAM | CAR | CAB | 5.0° | 0.3° |
| CAM | CAN | CAO | H9 | 177.5° | 180.0° |
| CAM | CAR | CAS | NAT | 4.4° | 0.3° |
| CAM | CAR | CAS | CAB | 174.8° | 179.7° |
| CAM | CAR | CAB | OAA | 43.4° | 5.2° |
| CAM | CAR | CAB | NAC | 144.3° | 174.8° |
| CAM | CAR | CAS | H7 | 175.6° | 179.8° |
| CAR | CAM | CAN | H8 | 0.6° | 0.0° |
| NAT | CAU | CAV | H12 | 119.7° | 120.0° |
| NAT | CAU | CAV | H13 | 119.7° | 119.9° |
| NAT | CAU | CAV | CBA | 99.3° | 90.3° |
| CAU | NAT | CAS | CAR | 177.3° | 180.0° |
| NAT | CAU | CAV | CAW | 83.5° | 90.1° |
| CAU | NAT | CAS | H7 | 2.7° | 0.1° |
| NAT | CAU | H12 | H13 | 121.0° | 120.0° |
| CAS | NAT | CAU | CAV | 87.5° | 90.6° |
| NAT | CAS | CAR | H7 | 180.0° | 179.9° |
| NAT | CAS | CAR | CAB | 179.2° | 180.0° |
| CAS | NAT | CAU | H12 | 152.8° | 29.4° |
| CAS | NAT | CAU | H13 | 32.2° | 149.5° |
| CAU | CAV | CBA | CAW | 177.2° | 179.7° |
| CAU | CAV | CBA | CAZ | 179.8° | 179.7° |
| CAU | CAV | CAW | CAX | 179.7° | 180.0° |
| CAV | CAU | H12 | H13 | 121.0° | 120.0° |
| CAU | CAV | CAW | H14 | 0.3° | 0.0° |
| CAU | CAV | CBA | H18 | 0.2° | 0.1° |
| CAV | CBA | CAZ | H18 | 180.0° | 179.7° |
| CAV | CBA | CAZ | CAY | 1.1° | 0.6° |
| CBA | CAV | CAW | CAX | 3.0° | 0.3° |
| CBA | CAV | CAU | H12 | 20.3° | 149.7° |
| CBA | CAV | CAU | H13 | 141.0° | 29.6° |
| CBA | CAV | CAW | H14 | 177.0° | 179.7° |
| CAV | CBA | CAZ | H17 | 178.9° | 179.7° |
| CAZ | CBA | CAV | CAW | 3.0° | 0.6° |
| CBA | CAZ | CAY | H17 | 180.0° | 179.7° |
| CBA | CAZ | CAY | CAX | 0.8° | 0.3° |
| CBA | CAZ | CAY | H16 | 179.2° | 179.7° |
| CAS | CAR | CAB | OAA | 131.2° | 174.5° |
| CAS | CAR | CAB | NAC | 41.0° | 5.5° |
| CAR | CAB | OAA | NAC | 171.7° | 180.0° |
| CAR | CAB | NAC | CAD | 175.9° | 174.7° |
| CAR | CAB | NAC | H6 | 4.1° | 5.3° |
| CAB | CAR | CAS | H7 | 0.8° | 0.1° |
| CAV | CAW | CAX | H14 | 180.0° | 180.0° |
| CAV | CAW | CAX | CAY | 1.2° | 0.0° |
| CAW | CAV | CAU | H12 | 156.8° | 30.0° |
| CAW | CAV | CAU | H13 | 36.2° | 150.0° |
| CAV | CAW | CAX | H15 | 178.8° | 179.9° |
| CAW | CAV | CBA | H18 | 177.0° | 179.7° |
| CAZ | CAY | CAX | CAW | 0.8° | 0.0° |
| CAZ | CAY | CAX | H16 | 180.0° | 179.9° |
| CAZ | CAY | CAX | H15 | 179.3° | 179.9° |
| CAY | CAZ | CBA | H18 | 178.9° | 179.7° |
| OAA | CAB | NAC | CAD | 4.2° | 5.4° |
| OAA | CAB | NAC | H6 | 175.7° | 174.7° |
| CAB | NAC | CAD | H6 | 180.0° | 179.9° |
| CAB | NAC | CAD | CAI | 154.8° | 0.0° |
| CAB | NAC | CAD | CAE | 25.8° | 180.0° |
| NAC | CAD | CAI | CAE | 179.5° | 180.0° |
| NAC | CAD | CAI | NAH | 180.0° | 180.0° |
| NAC | CAD | CAE | NAF | 179.8° | 179.8° |
| NAC | CAD | CAE | H4 | 0.2° | 0.2° |
| NAC | CAD | CAI | H5 | 0.0° | 0.2° |
| CAW | CAX | CAY | H15 | 180.0° | 179.9° |
| CAW | CAX | CAY | H16 | 179.2° | 179.9° |
| CAY | CAX | CAW | H14 | 178.8° | 180.0° |
| CAX | CAY | CAZ | H17 | 179.2° | 180.0° |
| CAD | CAI | NAH | H5 | 180.0° | 179.8° |
| CAI | CAD | CAE | NAF | 0.3° | 0.1° |
| CAD | CAI | NAH | NAF | 0.6° | 0.2° |
| CAI | CAD | CAE | H4 | 179.7° | 179.9° |
| CAI | CAD | NAC | H6 | 25.3° | 179.9° |
| CAE | CAD | CAI | NAH | 0.5° | 0.0° |
| CAD | CAE | NAF | H4 | 180.0° | 180.0° |
| CAD | CAE | NAF | NAH | 0.1° | 0.2° |
| CAD | CAE | NAF | CAG | 179.5° | 180.0° |
| CAE | CAD | CAI | H5 | 179.5° | 179.8° |
| CAE | CAD | NAC | H6 | 154.2° | 0.0° |
| CAI | NAH | NAF | CAE | 0.4° | 0.2° |
| CAI | NAH | NAF | CAG | 179.1° | 180.0° |
| CAE | NAF | NAH | CAG | 179.5° | 179.7° |
| CAE | NAF | CAG | H1 | 179.5° | 90.0° |
| CAE | NAF | CAG | H2 | 60.5° | 150.0° |
| CAE | NAF | CAG | H3 | 59.5° | 30.0° |
| NAH | NAF | CAG | H1 | 0.0° | 90.3° |
| NAH | NAF | CAG | H2 | 120.0° | 29.7° |
| NAH | NAF | CAG | H3 | 120.0° | 149.7° |
| NAH | NAF | CAE | H4 | 179.9° | 179.8° |
| NAF | NAH | CAI | H5 | 179.4° | 180.0° |
| NAF | CAG | H1 | H2 | 120.0° | 120.0° |
| NAF | CAG | H1 | H3 | 120.0° | 120.0° |
| NAF | CAG | H2 | H3 | 120.0° | 120.0° |
| CAG | NAF | CAE | H4 | 0.5° | 0.0° |
| H1 | CAG | H2 | H3 | 120.0° | 120.0° |
| H8 | CAN | CAO | H9 | 2.5° | 0.1° |
| H9 | CAO | CAP | H10 | 0.8° | 0.0° |
| H10 | CAP | CAQ | H11 | 1.5° | 0.1° |
| H14 | CAW | CAX | H15 | 1.2° | 0.0° |
| H15 | CAX | CAY | H16 | 0.7° | 0.0° |
| H16 | CAY | CAZ | H17 | 0.8° | 0.0° |
| H17 | CAZ | CBA | H18 | 1.1° | 0.0° |
