477
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| FAZ | CAV | sing | 1.40Å | 1.38Å | |
| FAY | CAV | sing | 1.40Å | 1.39Å | |
| CAV | CAP | sing | 1.51Å | 1.53Å | |
| CAP | CAQ | doub | 1.32Å | 1.34Å | Aromatic |
| CAP | SAO | sing | 1.75Å | 1.67Å | Aromatic |
| CAQ | CAM | sing | 1.46Å | 1.35Å | Aromatic |
| CAM | NAA | doub | 1.34Å | 1.34Å | Aromatic |
| CAM | CAN | sing | 1.40Å | 1.40Å | Aromatic |
| SAO | CAN | sing | 1.76Å | 1.69Å | Aromatic |
| NAA | NAB | sing | 1.40Å | 1.24Å | Aromatic |
| CAN | CAC | doub | 1.39Å | 1.38Å | Aromatic |
| NAB | CAC | sing | 1.36Å | 1.33Å | Aromatic |
| CAC | CAD | sing | 1.47Å | 1.40Å | |
| CAD | CAF | doub | 1.36Å | 1.34Å | Aromatic |
| CAD | NAE | sing | 1.38Å | 1.33Å | Aromatic |
| CAF | CAG | sing | 1.46Å | 1.34Å | Aromatic |
| NAE | CAH | sing | 1.38Å | 1.33Å | Aromatic |
| CAG | CAH | doub | 1.41Å | 1.39Å | Aromatic |
| CAG | CAL | sing | 1.40Å | 1.40Å | Aromatic |
| CAH | CAI | sing | 1.39Å | 1.40Å | Aromatic |
| CAL | CAK | doub | 1.37Å | 1.40Å | Aromatic |
| CAI | CAJ | doub | 1.38Å | 1.40Å | Aromatic |
| CAK | CAJ | sing | 1.39Å | 1.40Å | Aromatic |
| CAJ | CAR | sing | 1.51Å | 1.54Å | |
| CAU | CAT | sing | 1.53Å | 1.53Å | |
| CAR | CAT | sing | 1.53Å | 1.53Å | |
| CAR | OAS | sing | 1.43Å | 1.44Å | |
| CAR | CAW | sing | 1.53Å | 1.54Å | |
| CAW | CAX | sing | 1.53Å | 1.53Å | |
| CAU | H1 | sing | 1.09Å | 1.10Å | |
| CAU | H2 | sing | 1.09Å | 1.10Å | |
| CAU | H3 | sing | 1.09Å | 1.10Å | |
| CAT | H4 | sing | 1.09Å | 1.10Å | |
| CAT | H5 | sing | 1.09Å | 1.10Å | |
| CAW | H6 | sing | 1.09Å | 1.10Å | |
| CAW | H7 | sing | 1.09Å | 1.10Å | |
| CAX | H8 | sing | 1.09Å | 1.10Å | |
| CAX | H9 | sing | 1.09Å | 1.10Å | |
| CAX | H10 | sing | 1.09Å | 1.10Å | |
| OAS | H11 | sing | 0.97Å | 0.95Å | |
| CAI | H12 | sing | 1.08Å | 1.08Å | |
| CAK | H13 | sing | 1.08Å | 1.08Å | |
| CAL | H14 | sing | 1.08Å | 1.08Å | |
| CAF | H15 | sing | 1.08Å | 1.08Å | |
| NAE | H16 | sing | 0.97Å | 1.00Å | |
| NAB | H17 | sing | 0.97Å | 1.00Å | |
| CAQ | H18 | sing | 1.08Å | 1.08Å | |
| CAV | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| FAZ | CAV | FAY | 110.0° | 109.5° |
| FAZ | CAV | CAP | 109.6° | 109.5° |
| FAZ | CAV | H19 | 109.7° | 109.5° |
| FAY | CAV | CAP | 109.9° | 109.5° |
| FAY | CAV | H19 | 109.7° | 109.5° |
| CAV | CAP | CAQ | 125.8° | 124.2° |
| CAV | CAP | SAO | 124.6° | 124.2° |
| CAP | CAV | H19 | 107.8° | 109.5° |
| CAQ | CAP | SAO | 109.6° | 111.6° |
| CAP | CAQ | CAM | 114.9° | 114.8° |
| CAP | CAQ | H18 | 122.5° | 122.6° |
| CAP | SAO | CAN | 94.7° | 92.2° |
| CAQ | CAM | NAA | 141.4° | 140.5° |
| CAQ | CAM | CAN | 113.3° | 111.7° |
| CAM | CAQ | H18 | 122.6° | 122.6° |
| NAA | CAM | CAN | 105.2° | 107.8° |
| CAM | NAA | NAB | 112.0° | 108.9° |
| CAM | CAN | SAO | 107.5° | 109.7° |
| CAM | CAN | CAC | 105.4° | 107.8° |
| SAO | CAN | CAC | 147.1° | 142.6° |
| NAA | NAB | CAC | 110.5° | 108.3° |
| NAA | NAB | H17 | 124.7° | 125.8° |
| CAN | CAC | NAB | 106.8° | 107.2° |
| CAN | CAC | CAD | 125.2° | 126.4° |
| NAB | CAC | CAD | 128.0° | 126.5° |
| CAC | NAB | H17 | 124.8° | 125.8° |
| CAC | CAD | CAF | 127.8° | 125.3° |
| CAC | CAD | NAE | 123.9° | 125.3° |
| CAF | CAD | NAE | 108.3° | 109.4° |
| CAD | CAF | CAG | 108.5° | 107.0° |
| CAD | CAF | H15 | 125.8° | 126.5° |
| CAD | NAE | CAH | 109.3° | 109.8° |
| CAD | NAE | H16 | 125.3° | 125.1° |
| CAF | CAG | CAH | 107.1° | 106.3° |
| CAF | CAG | CAL | 133.4° | 133.8° |
| CAG | CAF | H15 | 125.8° | 126.5° |
| NAE | CAH | CAG | 106.8° | 107.5° |
| NAE | CAH | CAI | 132.5° | 133.2° |
| CAH | NAE | H16 | 125.4° | 125.1° |
| CAH | CAG | CAL | 119.5° | 119.9° |
| CAG | CAH | CAI | 120.7° | 119.3° |
| CAG | CAL | CAK | 120.0° | 119.8° |
| CAG | CAL | H14 | 120.0° | 120.1° |
| CAH | CAI | CAJ | 120.2° | 119.9° |
| CAH | CAI | H12 | 119.9° | 120.1° |
| CAL | CAK | CAJ | 120.5° | 120.5° |
| CAL | CAK | H13 | 119.7° | 119.7° |
| CAK | CAL | H14 | 120.0° | 120.2° |
| CAI | CAJ | CAK | 119.0° | 120.7° |
| CAI | CAJ | CAR | 119.9° | 119.7° |
| CAJ | CAI | H12 | 119.9° | 120.0° |
| CAK | CAJ | CAR | 121.1° | 119.7° |
| CAJ | CAK | H13 | 119.7° | 119.7° |
| CAJ | CAR | CAT | 110.3° | 109.5° |
| CAJ | CAR | OAS | 110.8° | 109.5° |
| CAJ | CAR | CAW | 109.6° | 109.5° |
| CAU | CAT | CAR | 112.0° | 109.5° |
| CAT | CAU | H1 | 109.5° | 109.5° |
| CAT | CAU | H2 | 109.5° | 109.5° |
| CAT | CAU | H3 | 109.4° | 109.4° |
| CAU | CAT | H4 | 108.8° | 109.4° |
| CAU | CAT | H5 | 108.8° | 109.4° |
| CAT | CAR | OAS | 109.1° | 109.5° |
| CAT | CAR | CAW | 108.0° | 109.5° |
| CAR | CAT | H4 | 108.8° | 109.5° |
| CAR | CAT | H5 | 108.8° | 109.5° |
| OAS | CAR | CAW | 109.0° | 109.5° |
| CAR | OAS | H11 | 109.5° | 114.0° |
| CAR | CAW | CAX | 112.0° | 109.5° |
| CAR | CAW | H6 | 108.8° | 109.5° |
| CAR | CAW | H7 | 108.8° | 109.5° |
| CAX | CAW | H6 | 108.8° | 109.5° |
| CAX | CAW | H7 | 108.8° | 109.5° |
| CAW | CAX | H8 | 109.5° | 109.5° |
| CAW | CAX | H9 | 109.5° | 109.5° |
| CAW | CAX | H10 | 109.5° | 109.4° |
| H1 | CAU | H2 | 109.5° | 109.5° |
| H1 | CAU | H3 | 109.5° | 109.5° |
| H2 | CAU | H3 | 109.5° | 109.5° |
| H4 | CAT | H5 | 109.5° | 109.5° |
| H6 | CAW | H7 | 109.5° | 109.4° |
| H8 | CAX | H9 | 109.5° | 109.5° |
| H8 | CAX | H10 | 109.5° | 109.5° |
| H9 | CAX | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| FAZ | CAV | FAY | CAP | 120.8° | 120.0° |
| FAZ | CAV | FAY | H19 | 120.8° | 120.0° |
| FAZ | CAV | CAP | H19 | 119.4° | 120.0° |
| FAZ | CAV | CAP | CAQ | 3.3° | 60.0° |
| FAZ | CAV | CAP | SAO | 176.2° | 120.2° |
| FAY | CAV | CAP | H19 | 119.6° | 120.0° |
| FAY | CAV | CAP | CAQ | 117.7° | 60.0° |
| FAY | CAV | CAP | SAO | 62.8° | 119.8° |
| CAV | CAP | CAQ | SAO | 179.6° | 179.8° |
| CAV | CAP | CAQ | CAM | 178.6° | 180.0° |
| CAV | CAP | SAO | CAN | 179.1° | 179.9° |
| CAV | CAP | CAQ | H18 | 1.4° | 0.0° |
| CAP | CAQ | CAM | H18 | 180.0° | 180.0° |
| CAP | CAQ | CAM | NAA | 179.0° | 180.0° |
| CAP | CAQ | CAM | CAN | 1.2° | 0.3° |
| CAQ | CAP | SAO | CAN | 0.4° | 0.1° |
| CAQ | CAP | CAV | H19 | 122.7° | 180.0° |
| SAO | CAP | CAQ | CAM | 1.0° | 0.2° |
| CAP | SAO | CAN | CAM | 0.2° | 0.1° |
| CAP | SAO | CAN | CAC | 179.3° | 179.5° |
| SAO | CAP | CAQ | H18 | 179.0° | 179.9° |
| SAO | CAP | CAV | H19 | 56.8° | 0.2° |
| CAQ | CAM | NAA | CAN | 179.9° | 179.7° |
| CAQ | CAM | CAN | SAO | 0.8° | 0.2° |
| CAQ | CAM | NAA | NAB | 179.0° | 180.0° |
| CAQ | CAM | CAN | CAC | 179.7° | 179.8° |
| NAA | CAM | CAN | SAO | 179.3° | 180.0° |
| NAA | CAM | CAN | CAC | 0.2° | 0.4° |
| CAM | NAA | NAB | CAC | 1.2° | 0.0° |
| CAM | NAA | NAB | H17 | 178.8° | 180.0° |
| NAA | CAM | CAQ | H18 | 1.0° | 0.1° |
| CAM | CAN | SAO | CAC | 179.1° | 179.4° |
| CAN | CAM | NAA | NAB | 0.8° | 0.2° |
| CAM | CAN | CAC | NAB | 0.5° | 0.3° |
| CAM | CAN | CAC | CAD | 179.7° | 179.9° |
| CAN | CAM | CAQ | H18 | 178.8° | 179.8° |
| SAO | CAN | CAC | NAB | 179.6° | 179.8° |
| SAO | CAN | CAC | CAD | 1.2° | 0.4° |
| NAA | NAB | CAC | CAN | 1.1° | 0.2° |
| NAA | NAB | CAC | H17 | 180.0° | 180.0° |
| NAA | NAB | CAC | CAD | 179.8° | 180.0° |
| CAN | CAC | NAB | CAD | 179.1° | 179.8° |
| CAN | CAC | CAD | CAF | 3.1° | 140.3° |
| CAN | CAC | CAD | NAE | 177.5° | 40.0° |
| CAN | CAC | NAB | H17 | 178.9° | 179.8° |
| NAB | CAC | CAD | CAF | 175.9° | 40.0° |
| NAB | CAC | CAD | NAE | 3.5° | 139.7° |
| CAC | CAD | CAF | NAE | 179.5° | 179.7° |
| CAC | CAD | CAF | CAG | 180.0° | 180.0° |
| CAC | CAD | NAE | CAH | 178.8° | 179.9° |
| CAC | CAD | CAF | H15 | 0.0° | 0.0° |
| CAC | CAD | NAE | H16 | 1.2° | 0.2° |
| CAD | CAC | NAB | H17 | 0.2° | 0.0° |
| CAD | CAF | CAG | H15 | 180.0° | 180.0° |
| CAF | CAD | NAE | CAH | 0.7° | 0.4° |
| CAD | CAF | CAG | CAH | 1.5° | 0.0° |
| CAD | CAF | CAG | CAL | 179.5° | 179.7° |
| CAF | CAD | NAE | H16 | 179.3° | 180.0° |
| NAE | CAD | CAF | CAG | 0.5° | 0.2° |
| CAD | NAE | CAH | H16 | 180.0° | 179.6° |
| CAD | NAE | CAH | CAG | 1.6° | 0.4° |
| CAD | NAE | CAH | CAI | 178.3° | 179.8° |
| NAE | CAD | CAF | H15 | 179.5° | 179.8° |
| CAF | CAG | CAH | NAE | 1.9° | 0.2° |
| CAF | CAG | CAH | CAL | 178.3° | 179.7° |
| CAF | CAG | CAH | CAI | 179.1° | 180.0° |
| CAF | CAG | CAL | CAK | 179.7° | 179.9° |
| CAF | CAG | CAL | H14 | 0.2° | 0.1° |
| NAE | CAH | CAG | CAI | 177.2° | 179.8° |
| NAE | CAH | CAG | CAL | 179.8° | 180.0° |
| NAE | CAH | CAI | CAJ | 178.5° | 179.7° |
| NAE | CAH | CAI | H12 | 1.5° | 0.2° |
| CAH | CAG | CAL | CAK | 2.0° | 0.2° |
| CAG | CAH | CAI | CAJ | 2.2° | 0.1° |
| CAG | CAH | CAI | H12 | 177.9° | 180.0° |
| CAH | CAG | CAL | H14 | 178.0° | 179.7° |
| CAH | CAG | CAF | H15 | 178.5° | 180.0° |
| CAG | CAH | NAE | H16 | 178.4° | 180.0° |
| CAL | CAG | CAH | CAI | 2.6° | 0.2° |
| CAG | CAL | CAK | H14 | 180.0° | 180.0° |
| CAG | CAL | CAK | CAJ | 0.9° | 0.0° |
| CAG | CAL | CAK | H13 | 179.1° | 180.0° |
| CAL | CAG | CAF | H15 | 0.5° | 0.3° |
| CAH | CAI | CAJ | H12 | 180.0° | 179.9° |
| CAH | CAI | CAJ | CAK | 1.0° | 0.3° |
| CAH | CAI | CAJ | CAR | 179.3° | 180.0° |
| CAI | CAH | NAE | H16 | 1.7° | 0.2° |
| CAL | CAK | CAJ | CAI | 0.4° | 0.3° |
| CAL | CAK | CAJ | H13 | 180.0° | 180.0° |
| CAL | CAK | CAJ | CAR | 179.9° | 180.0° |
| CAI | CAJ | CAK | CAR | 179.7° | 179.7° |
| CAI | CAJ | CAR | CAT | 51.3° | 150.0° |
| CAI | CAJ | CAR | OAS | 172.2° | 30.0° |
| CAI | CAJ | CAR | CAW | 67.5° | 90.0° |
| CAI | CAJ | CAK | H13 | 179.6° | 179.7° |
| CAK | CAJ | CAR | CAT | 129.1° | 29.7° |
| CAK | CAJ | CAR | OAS | 8.1° | 149.7° |
| CAK | CAJ | CAR | CAW | 112.2° | 90.3° |
| CAK | CAJ | CAI | H12 | 179.0° | 179.8° |
| CAJ | CAK | CAL | H14 | 179.1° | 180.0° |
| CAJ | CAR | CAT | CAU | 63.6° | 175.0° |
| CAJ | CAR | CAT | OAS | 121.9° | 120.0° |
| CAJ | CAR | CAT | CAW | 119.7° | 120.0° |
| CAJ | CAR | OAS | CAW | 120.6° | 120.0° |
| CAJ | CAR | CAW | CAX | 69.3° | 55.0° |
| CAJ | CAR | CAT | H4 | 176.1° | 65.0° |
| CAJ | CAR | CAT | H5 | 56.8° | 55.1° |
| CAJ | CAR | CAW | H6 | 170.4° | 65.0° |
| CAJ | CAR | CAW | H7 | 51.1° | 175.0° |
| CAJ | CAR | OAS | H11 | 180.0° | 60.0° |
| CAR | CAJ | CAI | H12 | 0.7° | 0.1° |
| CAR | CAJ | CAK | H13 | 0.1° | 0.0° |
| CAU | CAT | CAR | H4 | 120.4° | 119.9° |
| CAU | CAT | CAR | H5 | 120.4° | 120.0° |
| CAU | CAT | CAR | OAS | 58.3° | 65.0° |
| CAU | CAT | CAR | CAW | 176.7° | 55.0° |
| CAT | CAU | H1 | H2 | 120.0° | 120.0° |
| CAT | CAU | H1 | H3 | 120.0° | 119.9° |
| CAT | CAU | H2 | H3 | 119.9° | 120.0° |
| CAU | CAT | H4 | H5 | 118.9° | 119.9° |
| CAT | CAR | OAS | CAW | 117.7° | 120.0° |
| CAT | CAR | CAW | CAX | 170.5° | 175.0° |
| CAR | CAT | CAU | H1 | 180.0° | 180.0° |
| CAR | CAT | CAU | H2 | 60.0° | 60.0° |
| CAR | CAT | CAU | H3 | 60.0° | 60.0° |
| CAR | CAT | H4 | H5 | 118.8° | 120.1° |
| CAT | CAR | CAW | H6 | 50.2° | 55.0° |
| CAT | CAR | CAW | H7 | 69.1° | 65.0° |
| CAT | CAR | OAS | H11 | 58.4° | 60.0° |
| OAS | CAR | CAW | CAX | 52.1° | 65.0° |
| OAS | CAR | CAT | H4 | 62.0° | 55.0° |
| OAS | CAR | CAT | H5 | 178.7° | 175.1° |
| OAS | CAR | CAW | H6 | 68.3° | 175.0° |
| OAS | CAR | CAW | H7 | 172.5° | 55.0° |
| CAR | CAW | CAX | H6 | 120.4° | 120.0° |
| CAR | CAW | CAX | H7 | 120.4° | 120.1° |
| CAW | CAR | CAT | H4 | 56.3° | 175.0° |
| CAW | CAR | CAT | H5 | 62.9° | 64.9° |
| CAR | CAW | H6 | H7 | 118.9° | 120.0° |
| CAR | CAW | CAX | H8 | 180.0° | 180.0° |
| CAR | CAW | CAX | H9 | 60.0° | 60.0° |
| CAR | CAW | CAX | H10 | 60.0° | 60.0° |
| CAW | CAR | OAS | H11 | 59.3° | 180.0° |
| CAX | CAW | H6 | H7 | 118.8° | 120.0° |
| CAW | CAX | H8 | H9 | 120.0° | 120.0° |
| CAW | CAX | H8 | H10 | 120.0° | 119.9° |
| CAW | CAX | H9 | H10 | 120.0° | 120.0° |
| H1 | CAU | H2 | H3 | 120.0° | 120.0° |
| H1 | CAU | CAT | H4 | 59.6° | 60.0° |
| H1 | CAU | CAT | H5 | 59.6° | 60.0° |
| H2 | CAU | CAT | H4 | 60.4° | 60.0° |
| H2 | CAU | CAT | H5 | 179.7° | 180.0° |
| H3 | CAU | CAT | H4 | 179.7° | 180.0° |
| H3 | CAU | CAT | H5 | 60.4° | 60.0° |
| H6 | CAW | CAX | H8 | 59.6° | 60.0° |
| H6 | CAW | CAX | H9 | 179.6° | 180.0° |
| H6 | CAW | CAX | H10 | 60.4° | 60.0° |
| H7 | CAW | CAX | H8 | 59.6° | 60.0° |
| H7 | CAW | CAX | H9 | 60.4° | 60.0° |
| H7 | CAW | CAX | H10 | 179.6° | 179.9° |
| H8 | CAX | H9 | H10 | 120.0° | 120.0° |
| H13 | CAK | CAL | H14 | 0.9° | 0.0° |
