17O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAC | CAN | doub | 1.22Å | 1.25Å | |
| CAN | CAP | sing | 1.42Å | 1.46Å | |
| OAB | CAN | sing | 1.35Å | 1.25Å | |
| OAB | H1 | sing | 0.97Å | 0.95Å | |
| CAP | CAF | doub | 1.32Å | 1.35Å | |
| CAP | NAK | sing | 1.41Å | 1.48Å | |
| NAK | CAE | sing | 1.34Å | 1.47Å | |
| NAK | H2 | sing | 0.97Å | 1.00Å | |
| CAE | CAO | doub | 1.32Å | 1.32Å | |
| CAF | SAM | sing | 1.76Å | 1.83Å | |
| CAF | H5 | sing | 1.08Å | 1.08Å | |
| SAM | CAS | sing | 1.81Å | 1.82Å | |
| CAS | CAO | sing | 1.48Å | 1.50Å | |
| CAS | CAQ | sing | 1.51Å | 1.52Å | |
| CAS | H6 | sing | 1.09Å | 1.10Å | |
| CAO | CAD | sing | 1.40Å | 1.53Å | |
| CAD | OAA | doub | 1.22Å | 1.24Å | |
| CAD | H8 | sing | 1.08Å | 1.08Å | |
| CAQ | CAG | sing | 1.39Å | 1.52Å | Aromatic |
| NAJ | NAT | sing | 1.42Å | 1.44Å | Aromatic |
| NAJ | CAQ | doub | 1.30Å | 1.35Å | Aromatic |
| NAT | CAR | sing | 1.34Å | 1.46Å | Aromatic |
| CAI | NAT | sing | 1.48Å | 1.45Å | |
| CAI | SAL | sing | 1.83Å | 1.83Å | |
| CAI | H9 | sing | 1.09Å | 1.10Å | |
| CAI | H13 | sing | 1.09Å | 1.10Å | |
| SAL | CAH | sing | 1.83Å | 1.83Å | |
| CAH | H10 | sing | 1.09Å | 1.10Å | |
| CAH | H11 | sing | 1.09Å | 1.10Å | |
| CAR | CAG | doub | 1.37Å | 1.38Å | Aromatic |
| CAR | CAH | sing | 1.53Å | 1.50Å | |
| CAG | H12 | sing | 1.08Å | 1.08Å | |
| CAE | H3 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAC | CAN | CAP | 119.5° | 120.0° |
| OAC | CAN | OAB | 122.2° | 120.0° |
| CAP | CAN | OAB | 118.3° | 120.0° |
| CAN | CAP | CAF | 120.4° | 120.4° |
| CAN | CAP | NAK | 117.5° | 120.4° |
| CAN | OAB | H1 | 109.5° | 114.0° |
| CAF | CAP | NAK | 122.1° | 119.2° |
| CAP | CAF | SAM | 123.6° | 121.1° |
| CAP | CAF | H5 | 118.2° | 119.4° |
| CAP | NAK | CAE | 136.4° | 122.8° |
| CAP | NAK | H2 | 111.8° | 118.6° |
| CAE | NAK | H2 | 111.8° | 118.6° |
| NAK | CAE | CAO | 129.1° | 125.4° |
| NAK | CAE | H3 | 115.4° | 117.3° |
| CAE | CAO | CAS | 122.2° | 133.4° |
| CAE | CAO | CAD | 118.8° | 113.3° |
| CAO | CAE | H3 | 115.5° | 117.3° |
| SAM | CAF | H5 | 118.2° | 119.4° |
| CAF | SAM | CAS | 106.9° | 100.7° |
| SAM | CAS | CAO | 113.3° | 112.0° |
| SAM | CAS | CAQ | 110.9° | 109.0° |
| SAM | CAS | H6 | 104.5° | 109.0° |
| CAO | CAS | CAQ | 112.5° | 109.1° |
| CAO | CAS | H6 | 107.6° | 108.8° |
| CAS | CAO | CAD | 119.0° | 113.3° |
| CAQ | CAS | H6 | 107.4° | 108.9° |
| CAS | CAQ | CAG | 123.7° | 125.9° |
| CAS | CAQ | NAJ | 123.2° | 126.0° |
| CAO | CAD | OAA | 119.0° | 120.0° |
| CAO | CAD | H8 | 120.5° | 120.0° |
| OAA | CAD | H8 | 120.5° | 120.0° |
| CAG | CAQ | NAJ | 113.0° | 108.2° |
| CAQ | CAG | CAR | 103.3° | 107.9° |
| CAQ | CAG | H12 | 128.4° | 126.1° |
| NAT | NAJ | CAQ | 105.0° | 108.4° |
| NAJ | NAT | CAR | 109.4° | 107.6° |
| NAJ | NAT | CAI | 131.1° | 135.2° |
| CAR | NAT | CAI | 119.5° | 117.2° |
| NAT | CAR | CAG | 109.3° | 107.9° |
| NAT | CAR | CAH | 117.9° | 116.1° |
| NAT | CAI | SAL | 99.9° | 103.5° |
| NAT | CAI | H9 | 111.8° | 110.6° |
| NAT | CAI | H13 | 111.8° | 110.6° |
| SAL | CAI | H9 | 111.8° | 110.7° |
| SAL | CAI | H13 | 111.8° | 110.6° |
| CAI | SAL | CAH | 103.9° | 94.1° |
| H9 | CAI | H13 | 109.5° | 110.7° |
| SAL | CAH | H10 | 112.0° | 110.8° |
| SAL | CAH | H11 | 112.0° | 110.8° |
| SAL | CAH | CAR | 98.9° | 102.4° |
| H10 | CAH | H11 | 109.5° | 110.8° |
| H10 | CAH | CAR | 112.0° | 110.8° |
| H11 | CAH | CAR | 112.1° | 111.0° |
| CAG | CAR | CAH | 132.8° | 136.0° |
| CAR | CAG | H12 | 128.3° | 126.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAC | CAN | CAP | OAB | 179.5° | 179.7° |
| OAC | CAN | OAB | H1 | 0.0° | 0.1° |
| OAC | CAN | CAP | CAF | 17.3° | 179.9° |
| OAC | CAN | CAP | NAK | 162.8° | 0.3° |
| CAP | CAN | OAB | H1 | 179.4° | 179.7° |
| CAN | CAP | CAF | NAK | 179.9° | 179.7° |
| CAN | CAP | NAK | CAE | 144.4° | 109.3° |
| CAN | CAP | NAK | H2 | 35.6° | 70.8° |
| CAN | CAP | CAF | SAM | 175.7° | 178.3° |
| CAN | CAP | CAF | H5 | 4.3° | 1.7° |
| OAB | CAN | CAP | CAF | 163.2° | 0.3° |
| OAB | CAN | CAP | NAK | 16.7° | 180.0° |
| CAF | CAP | NAK | CAE | 35.8° | 70.5° |
| CAF | CAP | NAK | H2 | 144.3° | 109.5° |
| CAP | CAF | SAM | H5 | 180.0° | 179.9° |
| CAP | CAF | SAM | CAS | 51.3° | 66.1° |
| CAP | NAK | CAE | H2 | 180.0° | 179.9° |
| CAP | NAK | CAE | CAO | 34.3° | 45.4° |
| NAK | CAP | CAF | SAM | 4.1° | 1.4° |
| NAK | CAP | CAF | H5 | 175.9° | 178.6° |
| CAP | NAK | CAE | H3 | 145.7° | 134.6° |
| NAK | CAE | CAO | H3 | 180.0° | 180.0° |
| NAK | CAE | CAO | CAS | 32.6° | 6.9° |
| NAK | CAE | CAO | CAD | 146.5° | 173.3° |
| H2 | NAK | CAE | CAO | 145.7° | 134.5° |
| H2 | NAK | CAE | H3 | 34.3° | 45.5° |
| CAE | CAO | CAS | SAM | 60.0° | 13.2° |
| CAE | CAO | CAS | CAD | 179.2° | 179.9° |
| CAE | CAO | CAS | CAQ | 66.9° | 133.9° |
| CAE | CAO | CAS | H6 | 175.0° | 107.4° |
| CAE | CAO | CAD | OAA | 170.9° | 180.0° |
| CAE | CAO | CAD | H8 | 9.1° | 0.0° |
| CAF | SAM | CAS | CAO | 74.8° | 61.8° |
| CAF | SAM | CAS | CAQ | 52.9° | 177.4° |
| CAF | SAM | CAS | H6 | 168.3° | 58.6° |
| H5 | CAF | SAM | CAS | 128.7° | 113.9° |
| SAM | CAS | CAO | CAQ | 126.8° | 120.7° |
| SAM | CAS | CAO | H6 | 115.0° | 120.6° |
| SAM | CAS | CAQ | H6 | 113.6° | 118.8° |
| SAM | CAS | CAO | CAD | 119.2° | 166.6° |
| SAM | CAS | CAQ | CAG | 82.9° | 115.0° |
| SAM | CAS | CAQ | NAJ | 95.2° | 65.3° |
| CAO | CAS | CAQ | H6 | 118.2° | 118.7° |
| CAS | CAO | CAD | OAA | 8.3° | 0.1° |
| CAS | CAO | CAD | H8 | 171.7° | 179.9° |
| CAO | CAS | CAQ | CAG | 149.0° | 122.4° |
| CAO | CAS | CAQ | NAJ | 32.9° | 57.3° |
| CAS | CAO | CAE | H3 | 147.3° | 173.2° |
| CAQ | CAS | CAO | CAD | 113.9° | 45.9° |
| CAS | CAQ | CAG | NAJ | 178.2° | 179.7° |
| CAS | CAQ | NAJ | NAT | 179.1° | 179.9° |
| CAS | CAQ | CAG | CAR | 179.0° | 179.9° |
| CAS | CAQ | CAG | H12 | 1.0° | 0.0° |
| H6 | CAS | CAO | CAD | 4.2° | 72.8° |
| H6 | CAS | CAQ | CAG | 30.8° | 3.8° |
| H6 | CAS | CAQ | NAJ | 151.2° | 175.9° |
| CAO | CAD | OAA | H8 | 180.0° | 180.0° |
| CAD | CAO | CAE | H3 | 33.5° | 6.7° |
| CAG | CAQ | NAJ | NAT | 0.9° | 0.4° |
| CAQ | CAG | CAR | NAT | 0.2° | 0.3° |
| CAQ | CAG | CAR | H12 | 180.0° | 179.9° |
| CAQ | CAG | CAR | CAH | 179.6° | 179.8° |
| NAJ | NAT | CAR | CAI | 179.5° | 179.9° |
| NAJ | NAT | CAI | SAL | 179.6° | 162.7° |
| NAJ | NAT | CAI | H9 | 61.2° | 78.8° |
| NAJ | NAT | CAI | H13 | 62.0° | 44.2° |
| NAJ | NAT | CAR | CAG | 0.3° | 0.1° |
| NAJ | NAT | CAR | CAH | 179.9° | 179.7° |
| CAQ | NAJ | NAT | CAR | 0.7° | 0.2° |
| CAQ | NAJ | NAT | CAI | 179.9° | 179.7° |
| NAJ | CAQ | CAG | CAR | 0.7° | 0.4° |
| NAJ | CAQ | CAG | H12 | 179.3° | 179.7° |
| CAR | NAT | CAI | SAL | 0.3° | 17.4° |
| CAR | NAT | CAI | H9 | 118.2° | 101.2° |
| CAR | NAT | CAI | H13 | 118.7° | 135.9° |
| NAT | CAR | CAH | SAL | 0.3° | 16.8° |
| NAT | CAR | CAH | H10 | 118.5° | 101.5° |
| NAT | CAR | CAH | H11 | 118.0° | 135.0° |
| NAT | CAR | CAG | CAH | 179.8° | 179.5° |
| NAT | CAR | CAG | H12 | 179.8° | 179.9° |
| NAT | CAI | SAL | H9 | 118.4° | 118.5° |
| NAT | CAI | SAL | H13 | 118.4° | 118.5° |
| NAT | CAI | H9 | H13 | 124.4° | 122.9° |
| NAT | CAI | SAL | CAH | 0.1° | 22.9° |
| CAI | NAT | CAR | CAG | 179.8° | 180.0° |
| CAI | NAT | CAR | CAH | 0.4° | 0.3° |
| SAL | CAI | H9 | H13 | 124.5° | 123.1° |
| CAI | SAL | CAH | H10 | 118.3° | 95.8° |
| CAI | SAL | CAH | H11 | 118.2° | 140.8° |
| CAI | SAL | CAH | CAR | 0.1° | 22.4° |
| H9 | CAI | SAL | CAH | 118.3° | 95.6° |
| H13 | CAI | SAL | CAH | 118.5° | 141.3° |
| SAL | CAH | H10 | H11 | 124.9° | 123.4° |
| SAL | CAH | H10 | CAR | 110.1° | 113.0° |
| SAL | CAH | H11 | CAR | 110.2° | 113.1° |
| SAL | CAH | CAR | CAG | 180.0° | 162.8° |
| H10 | CAH | H11 | CAR | 124.9° | 123.5° |
| H10 | CAH | CAR | CAG | 61.7° | 79.0° |
| H11 | CAH | CAR | CAG | 61.8° | 44.5° |
| CAH | CAR | CAG | H12 | 0.4° | 0.3° |
