0G2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAV | CAU | doub | 1.38Å | 1.40Å | Aromatic |
| CAV | CAW | sing | 1.38Å | 1.39Å | Aromatic |
| CAU | CAT | sing | 1.38Å | 1.40Å | Aromatic |
| CAW | CAX | doub | 1.38Å | 1.40Å | Aromatic |
| CAT | CAR | doub | 1.40Å | 1.40Å | Aromatic |
| CAX | CAR | sing | 1.40Å | 1.40Å | Aromatic |
| CAR | CAP | sing | 1.48Å | 1.40Å | |
| CAP | CAO | doub | 1.33Å | 1.34Å | Aromatic |
| CAP | SAQ | sing | 1.75Å | 1.68Å | Aromatic |
| CAO | CAN | sing | 1.46Å | 1.35Å | Aromatic |
| SAQ | CAM | sing | 1.76Å | 1.68Å | Aromatic |
| CAN | CAM | sing | 1.40Å | 1.39Å | Aromatic |
| CAN | NAL | doub | 1.34Å | 1.34Å | Aromatic |
| CAM | CAJ | doub | 1.39Å | 1.38Å | Aromatic |
| NAL | NAK | sing | 1.40Å | 1.24Å | Aromatic |
| CAJ | NAK | sing | 1.36Å | 1.33Å | Aromatic |
| CAJ | CAA | sing | 1.47Å | 1.40Å | |
| CAB | CAA | doub | 1.36Å | 1.34Å | Aromatic |
| CAB | CAE | sing | 1.46Å | 1.33Å | Aromatic |
| CAA | NAC | sing | 1.38Å | 1.33Å | Aromatic |
| CAE | CAF | doub | 1.40Å | 1.39Å | Aromatic |
| CAE | CAD | sing | 1.41Å | 1.39Å | Aromatic |
| NAC | CAD | sing | 1.38Å | 1.33Å | Aromatic |
| CAF | CAG | sing | 1.37Å | 1.40Å | Aromatic |
| CAD | CAI | doub | 1.39Å | 1.40Å | Aromatic |
| CAG | CAH | doub | 1.39Å | 1.40Å | Aromatic |
| CAI | CAH | sing | 1.38Å | 1.40Å | Aromatic |
| CAH | CAS | sing | 1.51Å | 1.55Å | |
| CAS | OBA | sing | 1.43Å | 1.44Å | |
| CAS | CAY | sing | 1.53Å | 1.54Å | |
| CAS | CAZ | sing | 1.53Å | 1.54Å | |
| CAY | CBB | sing | 1.53Å | 1.53Å | |
| CAZ | CBC | sing | 1.53Å | 1.54Å | |
| CBB | H1 | sing | 1.09Å | 1.10Å | |
| CBB | H2 | sing | 1.09Å | 1.10Å | |
| CBB | H3 | sing | 1.09Å | 1.10Å | |
| CAY | H4 | sing | 1.09Å | 1.10Å | |
| CAY | H5 | sing | 1.09Å | 1.10Å | |
| CAZ | H6 | sing | 1.09Å | 1.10Å | |
| CAZ | H7 | sing | 1.09Å | 1.10Å | |
| CBC | H8 | sing | 1.09Å | 1.10Å | |
| CBC | H9 | sing | 1.09Å | 1.10Å | |
| CBC | H10 | sing | 1.09Å | 1.10Å | |
| OBA | H11 | sing | 0.97Å | 0.95Å | |
| CAI | H12 | sing | 1.08Å | 1.08Å | |
| CAG | H13 | sing | 1.08Å | 1.08Å | |
| CAF | H14 | sing | 1.08Å | 1.08Å | |
| CAB | H15 | sing | 1.08Å | 1.08Å | |
| NAC | H16 | sing | 0.97Å | 1.00Å | |
| NAK | H17 | sing | 0.97Å | 1.00Å | |
| CAO | H18 | sing | 1.08Å | 1.08Å | |
| CAT | H19 | sing | 1.08Å | 1.08Å | |
| CAU | H20 | sing | 1.08Å | 1.08Å | |
| CAV | H21 | sing | 1.08Å | 1.08Å | |
| CAW | H22 | sing | 1.08Å | 1.08Å | |
| CAX | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAU | CAV | CAW | 119.8° | 120.3° |
| CAV | CAU | CAT | 120.2° | 120.1° |
| CAV | CAU | H20 | 119.9° | 119.9° |
| CAU | CAV | H21 | 120.1° | 119.8° |
| CAV | CAW | CAX | 120.0° | 120.2° |
| CAW | CAV | H21 | 120.1° | 119.9° |
| CAV | CAW | H22 | 120.0° | 119.9° |
| CAU | CAT | CAR | 120.3° | 119.9° |
| CAU | CAT | H19 | 119.9° | 120.1° |
| CAT | CAU | H20 | 119.9° | 119.9° |
| CAW | CAX | CAR | 120.5° | 119.8° |
| CAX | CAW | H22 | 120.0° | 119.9° |
| CAW | CAX | H23 | 119.7° | 120.1° |
| CAT | CAR | CAX | 119.2° | 119.7° |
| CAT | CAR | CAP | 120.3° | 120.1° |
| CAR | CAT | H19 | 119.8° | 120.1° |
| CAX | CAR | CAP | 120.5° | 120.1° |
| CAR | CAX | H23 | 119.8° | 120.1° |
| CAR | CAP | CAO | 129.6° | 124.3° |
| CAR | CAP | SAQ | 123.0° | 124.3° |
| CAO | CAP | SAQ | 107.4° | 111.5° |
| CAP | CAO | CAN | 116.1° | 114.6° |
| CAP | CAO | H18 | 122.0° | 122.7° |
| CAP | SAQ | CAM | 96.1° | 92.3° |
| CAO | CAN | CAM | 113.3° | 111.8° |
| CAO | CAN | NAL | 141.7° | 140.4° |
| CAN | CAO | H18 | 122.0° | 122.7° |
| SAQ | CAM | CAN | 107.1° | 109.9° |
| SAQ | CAM | CAJ | 147.2° | 142.4° |
| CAM | CAN | NAL | 105.0° | 107.8° |
| CAN | CAM | CAJ | 105.6° | 107.8° |
| CAN | NAL | NAK | 112.3° | 109.0° |
| CAM | CAJ | NAK | 106.7° | 107.2° |
| CAM | CAJ | CAA | 124.4° | 126.4° |
| NAL | NAK | CAJ | 110.4° | 108.3° |
| NAL | NAK | H17 | 124.8° | 125.9° |
| NAK | CAJ | CAA | 128.9° | 126.4° |
| CAJ | NAK | H17 | 124.8° | 125.8° |
| CAJ | CAA | CAB | 126.2° | 125.3° |
| CAJ | CAA | NAC | 125.3° | 125.3° |
| CAA | CAB | CAE | 108.7° | 107.0° |
| CAB | CAA | NAC | 108.5° | 109.5° |
| CAA | CAB | H15 | 125.7° | 126.5° |
| CAB | CAE | CAF | 132.7° | 133.8° |
| CAB | CAE | CAD | 107.1° | 106.3° |
| CAE | CAB | H15 | 125.6° | 126.5° |
| CAA | NAC | CAD | 108.8° | 109.8° |
| CAA | NAC | H16 | 125.6° | 125.1° |
| CAF | CAE | CAD | 120.2° | 119.9° |
| CAE | CAF | CAG | 119.7° | 119.8° |
| CAE | CAF | H14 | 120.1° | 120.1° |
| CAE | CAD | NAC | 106.9° | 107.5° |
| CAE | CAD | CAI | 120.1° | 119.3° |
| NAC | CAD | CAI | 133.0° | 133.2° |
| CAD | NAC | H16 | 125.6° | 125.2° |
| CAF | CAG | CAH | 120.6° | 120.5° |
| CAF | CAG | H13 | 119.7° | 119.7° |
| CAG | CAF | H14 | 120.1° | 120.1° |
| CAD | CAI | CAH | 120.2° | 119.8° |
| CAD | CAI | H12 | 119.9° | 120.1° |
| CAG | CAH | CAI | 119.2° | 120.7° |
| CAG | CAH | CAS | 119.6° | 119.7° |
| CAH | CAG | H13 | 119.7° | 119.7° |
| CAI | CAH | CAS | 121.2° | 119.7° |
| CAH | CAI | H12 | 119.9° | 120.1° |
| CAH | CAS | OBA | 109.3° | 109.5° |
| CAH | CAS | CAY | 109.4° | 109.5° |
| CAH | CAS | CAZ | 111.2° | 109.5° |
| OBA | CAS | CAY | 107.5° | 109.5° |
| OBA | CAS | CAZ | 109.9° | 109.4° |
| CAS | OBA | H11 | 109.5° | 114.0° |
| CAY | CAS | CAZ | 109.5° | 109.5° |
| CAS | CAY | CBB | 113.1° | 109.5° |
| CAS | CAY | H4 | 108.6° | 109.5° |
| CAS | CAY | H5 | 108.6° | 109.5° |
| CAS | CAZ | CBC | 113.3° | 109.5° |
| CAS | CAZ | H6 | 108.5° | 109.5° |
| CAS | CAZ | H7 | 108.5° | 109.4° |
| CAY | CBB | H1 | 109.5° | 109.4° |
| CAY | CBB | H2 | 109.5° | 109.5° |
| CAY | CBB | H3 | 109.5° | 109.5° |
| CBB | CAY | H4 | 108.5° | 109.5° |
| CBB | CAY | H5 | 108.6° | 109.5° |
| CBC | CAZ | H6 | 108.5° | 109.5° |
| CBC | CAZ | H7 | 108.5° | 109.4° |
| CAZ | CBC | H8 | 109.5° | 109.4° |
| CAZ | CBC | H9 | 109.5° | 109.5° |
| CAZ | CBC | H10 | 109.5° | 109.5° |
| H1 | CBB | H2 | 109.5° | 109.5° |
| H1 | CBB | H3 | 109.4° | 109.5° |
| H2 | CBB | H3 | 109.5° | 109.5° |
| H4 | CAY | H5 | 109.5° | 109.5° |
| H6 | CAZ | H7 | 109.5° | 109.5° |
| H8 | CBC | H9 | 109.5° | 109.4° |
| H8 | CBC | H10 | 109.5° | 109.5° |
| H9 | CBC | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAU | CAV | CAW | H21 | 180.0° | 180.0° |
| CAV | CAU | CAT | H20 | 180.0° | 180.0° |
| CAU | CAV | CAW | CAX | 0.3° | 0.3° |
| CAV | CAU | CAT | CAR | 0.3° | 0.0° |
| CAV | CAU | CAT | H19 | 179.7° | 179.9° |
| CAU | CAV | CAW | H22 | 179.7° | 180.0° |
| CAW | CAV | CAU | CAT | 0.6° | 0.0° |
| CAV | CAW | CAX | H22 | 180.0° | 179.7° |
| CAV | CAW | CAX | CAR | 0.3° | 0.6° |
| CAW | CAV | CAU | H20 | 179.5° | 180.0° |
| CAV | CAW | CAX | H23 | 179.7° | 179.9° |
| CAU | CAT | CAR | H19 | 180.0° | 180.0° |
| CAU | CAT | CAR | CAX | 0.3° | 0.2° |
| CAU | CAT | CAR | CAP | 178.8° | 180.0° |
| CAT | CAU | CAV | H21 | 179.5° | 180.0° |
| CAW | CAX | CAR | CAT | 0.6° | 0.5° |
| CAW | CAX | CAR | H23 | 180.0° | 179.5° |
| CAW | CAX | CAR | CAP | 179.1° | 179.7° |
| CAX | CAW | CAV | H21 | 179.7° | 179.7° |
| CAT | CAR | CAX | CAP | 178.5° | 179.7° |
| CAT | CAR | CAP | CAO | 14.8° | 180.0° |
| CAT | CAR | CAP | SAQ | 162.6° | 0.4° |
| CAR | CAT | CAU | H20 | 179.7° | 180.0° |
| CAT | CAR | CAX | H23 | 179.4° | 180.0° |
| CAX | CAR | CAP | CAO | 166.7° | 0.3° |
| CAX | CAR | CAP | SAQ | 15.9° | 179.3° |
| CAX | CAR | CAT | H19 | 179.7° | 179.8° |
| CAR | CAX | CAW | H22 | 179.7° | 179.7° |
| CAR | CAP | CAO | SAQ | 177.7° | 179.6° |
| CAR | CAP | CAO | CAN | 178.4° | 180.0° |
| CAR | CAP | SAQ | CAM | 178.5° | 179.9° |
| CAR | CAP | CAO | H18 | 1.6° | 0.0° |
| CAP | CAR | CAT | H19 | 1.2° | 0.0° |
| CAP | CAR | CAX | H23 | 0.9° | 0.2° |
| CAP | CAO | CAN | H18 | 180.0° | 179.9° |
| CAO | CAP | SAQ | CAM | 0.6° | 0.5° |
| CAP | CAO | CAN | CAM | 0.5° | 0.1° |
| CAP | CAO | CAN | NAL | 179.5° | 179.4° |
| SAQ | CAP | CAO | CAN | 0.7° | 0.3° |
| CAP | SAQ | CAM | CAN | 0.4° | 0.5° |
| CAP | SAQ | CAM | CAJ | 179.7° | 179.8° |
| SAQ | CAP | CAO | H18 | 179.3° | 179.6° |
| CAO | CAN | CAM | SAQ | 0.0° | 0.4° |
| CAO | CAN | CAM | NAL | 179.4° | 179.5° |
| CAO | CAN | CAM | CAJ | 179.7° | 180.0° |
| CAO | CAN | NAL | NAK | 179.7° | 179.6° |
| SAQ | CAM | CAN | CAJ | 179.6° | 179.6° |
| SAQ | CAM | CAN | NAL | 179.4° | 180.0° |
| SAQ | CAM | CAJ | NAK | 180.0° | 179.8° |
| SAQ | CAM | CAJ | CAA | 1.6° | 0.5° |
| CAM | CAN | NAL | NAK | 1.2° | 0.3° |
| CAN | CAM | CAJ | NAK | 0.6° | 0.5° |
| CAN | CAM | CAJ | CAA | 179.1° | 179.8° |
| CAM | CAN | CAO | H18 | 179.5° | 180.0° |
| NAL | CAN | CAM | CAJ | 0.3° | 0.5° |
| CAN | NAL | NAK | CAJ | 1.7° | 0.0° |
| CAN | NAL | NAK | H17 | 178.3° | 179.9° |
| NAL | CAN | CAO | H18 | 0.5° | 0.7° |
| CAM | CAJ | NAK | NAL | 1.4° | 0.3° |
| CAM | CAJ | NAK | CAA | 178.4° | 179.7° |
| CAM | CAJ | CAA | CAB | 0.7° | 140.3° |
| CAM | CAJ | CAA | NAC | 179.9° | 39.5° |
| CAM | CAJ | NAK | H17 | 178.6° | 179.8° |
| NAL | NAK | CAJ | H17 | 180.0° | 179.9° |
| NAL | NAK | CAJ | CAA | 179.8° | 180.0° |
| NAK | CAJ | CAA | CAB | 177.4° | 40.0° |
| NAK | CAJ | CAA | NAC | 1.7° | 140.1° |
| CAJ | CAA | CAB | NAC | 179.3° | 179.8° |
| CAJ | CAA | CAB | CAE | 179.8° | 180.0° |
| CAJ | CAA | NAC | CAD | 179.0° | 179.9° |
| CAJ | CAA | CAB | H15 | 0.1° | 0.1° |
| CAJ | CAA | NAC | H16 | 0.9° | 0.0° |
| CAA | CAJ | NAK | H17 | 0.2° | 0.1° |
| CAA | CAB | CAE | H15 | 180.0° | 180.0° |
| CAA | CAB | CAE | CAF | 179.6° | 180.0° |
| CAA | CAB | CAE | CAD | 1.1° | 0.2° |
| CAB | CAA | NAC | CAD | 0.3° | 0.0° |
| CAB | CAA | NAC | H16 | 179.7° | 179.8° |
| CAE | CAB | CAA | NAC | 0.5° | 0.2° |
| CAB | CAE | CAF | CAD | 178.3° | 179.7° |
| CAB | CAE | CAD | NAC | 1.3° | 0.2° |
| CAB | CAE | CAF | CAG | 179.3° | 180.0° |
| CAB | CAE | CAD | CAI | 179.5° | 180.0° |
| CAB | CAE | CAF | H14 | 0.7° | 0.0° |
| CAA | NAC | CAD | CAE | 0.9° | 0.1° |
| CAA | NAC | CAD | H16 | 180.0° | 179.9° |
| CAA | NAC | CAD | CAI | 178.9° | 179.8° |
| NAC | CAA | CAB | H15 | 179.4° | 179.8° |
| CAF | CAE | CAD | NAC | 180.0° | 180.0° |
| CAE | CAF | CAG | H14 | 180.0° | 179.9° |
| CAF | CAE | CAD | CAI | 1.7° | 0.2° |
| CAE | CAF | CAG | CAH | 0.3° | 0.1° |
| CAE | CAF | CAG | H13 | 179.6° | 179.9° |
| CAF | CAE | CAB | H15 | 0.4° | 0.0° |
| CAE | CAD | NAC | CAI | 178.0° | 179.7° |
| CAD | CAE | CAF | CAG | 0.9° | 0.3° |
| CAE | CAD | CAI | CAH | 1.3° | 0.0° |
| CAE | CAD | CAI | H12 | 178.7° | 179.9° |
| CAD | CAE | CAF | H14 | 179.1° | 179.8° |
| CAD | CAE | CAB | H15 | 178.9° | 179.7° |
| CAE | CAD | NAC | H16 | 179.1° | 180.0° |
| NAC | CAD | CAI | CAH | 179.0° | 179.6° |
| NAC | CAD | CAI | H12 | 1.0° | 0.3° |
| CAF | CAG | CAH | H13 | 180.0° | 179.9° |
| CAF | CAG | CAH | CAI | 0.8° | 0.2° |
| CAF | CAG | CAH | CAS | 179.6° | 180.0° |
| CAD | CAI | CAH | CAG | 0.0° | 0.3° |
| CAD | CAI | CAH | H12 | 180.0° | 179.9° |
| CAD | CAI | CAH | CAS | 178.7° | 180.0° |
| CAI | CAD | NAC | H16 | 1.1° | 0.3° |
| CAG | CAH | CAI | CAS | 178.8° | 179.8° |
| CAG | CAH | CAS | OBA | 26.4° | 149.8° |
| CAG | CAH | CAS | CAY | 91.0° | 29.8° |
| CAG | CAH | CAS | CAZ | 147.9° | 90.3° |
| CAG | CAH | CAI | H12 | 180.0° | 179.8° |
| CAH | CAG | CAF | H14 | 179.7° | 180.0° |
| CAI | CAH | CAS | OBA | 154.8° | 30.0° |
| CAI | CAH | CAS | CAY | 87.8° | 150.0° |
| CAI | CAH | CAS | CAZ | 33.3° | 90.0° |
| CAI | CAH | CAG | H13 | 179.2° | 179.6° |
| CAH | CAS | OBA | CAY | 118.6° | 120.0° |
| CAH | CAS | OBA | CAZ | 122.3° | 120.0° |
| CAH | CAS | CAY | CAZ | 122.1° | 120.0° |
| CAH | CAS | CAY | CBB | 68.6° | 60.8° |
| CAH | CAS | CAZ | CBC | 102.5° | 179.4° |
| CAH | CAS | CAY | H4 | 170.9° | 59.2° |
| CAH | CAS | CAY | H5 | 52.0° | 179.2° |
| CAH | CAS | CAZ | H6 | 137.0° | 59.4° |
| CAH | CAS | CAZ | H7 | 18.1° | 60.6° |
| CAH | CAS | OBA | H11 | 180.0° | 60.0° |
| CAS | CAH | CAI | H12 | 1.3° | 0.1° |
| CAS | CAH | CAG | H13 | 0.4° | 0.1° |
| OBA | CAS | CAY | CAZ | 119.4° | 120.0° |
| OBA | CAS | CAY | CBB | 172.9° | 59.2° |
| OBA | CAS | CAZ | CBC | 18.7° | 59.4° |
| OBA | CAS | CAY | H4 | 52.4° | 179.2° |
| OBA | CAS | CAY | H5 | 66.5° | 60.8° |
| OBA | CAS | CAZ | H6 | 101.9° | 60.6° |
| OBA | CAS | CAZ | H7 | 139.3° | 179.4° |
| CAS | CAY | CBB | H4 | 120.5° | 120.0° |
| CAS | CAY | CBB | H5 | 120.6° | 120.0° |
| CAY | CAS | CAZ | CBC | 136.5° | 60.6° |
| CAS | CAY | CBB | H1 | 180.0° | 174.8° |
| CAS | CAY | CBB | H2 | 60.0° | 65.2° |
| CAS | CAY | CBB | H3 | 60.0° | 54.8° |
| CAS | CAY | H4 | H5 | 118.4° | 120.0° |
| CAY | CAS | CAZ | H6 | 16.0° | 179.4° |
| CAY | CAS | CAZ | H7 | 102.9° | 59.4° |
| CAY | CAS | OBA | H11 | 61.4° | 180.0° |
| CAZ | CAS | CAY | CBB | 53.5° | 179.2° |
| CAS | CAZ | CBC | H6 | 120.6° | 120.0° |
| CAS | CAZ | CBC | H7 | 120.6° | 119.9° |
| CAZ | CAS | CAY | H4 | 67.0° | 60.8° |
| CAZ | CAS | CAY | H5 | 174.1° | 59.2° |
| CAS | CAZ | H6 | H7 | 118.2° | 120.0° |
| CAS | CAZ | CBC | H8 | 180.0° | 54.3° |
| CAS | CAZ | CBC | H9 | 60.0° | 174.3° |
| CAS | CAZ | CBC | H10 | 60.0° | 65.7° |
| CAZ | CAS | OBA | H11 | 57.7° | 60.0° |
| CAY | CBB | H1 | H2 | 120.0° | 120.0° |
| CAY | CBB | H1 | H3 | 120.0° | 120.0° |
| CAY | CBB | H2 | H3 | 120.0° | 120.0° |
| CBB | CAY | H4 | H5 | 118.4° | 120.0° |
| CBC | CAZ | H6 | H7 | 118.2° | 120.0° |
| CAZ | CBC | H8 | H9 | 120.0° | 120.0° |
| CAZ | CBC | H8 | H10 | 120.0° | 120.0° |
| CAZ | CBC | H9 | H10 | 120.0° | 120.0° |
| H1 | CBB | H2 | H3 | 120.0° | 120.1° |
| H1 | CBB | CAY | H4 | 59.5° | 65.2° |
| H1 | CBB | CAY | H5 | 59.5° | 54.8° |
| H2 | CBB | CAY | H4 | 179.5° | 54.8° |
| H2 | CBB | CAY | H5 | 60.6° | 174.8° |
| H3 | CBB | CAY | H4 | 60.5° | 174.8° |
| H3 | CBB | CAY | H5 | 179.4° | 65.2° |
| H6 | CAZ | CBC | H8 | 59.4° | 65.7° |
| H6 | CAZ | CBC | H9 | 179.4° | 54.2° |
| H6 | CAZ | CBC | H10 | 60.6° | 174.3° |
| H7 | CAZ | CBC | H8 | 59.4° | 174.3° |
| H7 | CAZ | CBC | H9 | 60.6° | 65.8° |
| H7 | CAZ | CBC | H10 | 179.4° | 54.3° |
| H8 | CBC | H9 | H10 | 120.0° | 120.0° |
| H13 | CAG | CAF | H14 | 0.4° | 0.1° |
| H19 | CAT | CAU | H20 | 0.3° | 0.0° |
| H20 | CAU | CAV | H21 | 0.5° | 0.0° |
| H21 | CAV | CAW | H22 | 0.2° | 0.0° |
| H22 | CAW | CAX | H23 | 0.3° | 0.2° |
