2OX
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAH | CAB | sing | 1.43Å | 1.50Å | |
OAI | CAC | sing | 1.43Å | 1.49Å | |
CAB | CAC | sing | 1.55Å | 1.53Å | |
CAB | CAA | sing | 1.55Å | 1.54Å | |
CAG | CAA | sing | 1.53Å | 1.52Å | |
CAC | CAD | sing | 1.54Å | 1.56Å | |
CAD | NAE | sing | 1.47Å | 1.49Å | |
CAD | CAF | sing | 1.51Å | 1.58Å | |
NAE | CAA | sing | 1.48Å | 1.48Å | |
CAF | NAM | sing | 1.34Å | 1.31Å | Aromatic |
CAF | CAJ | doub | 1.35Å | 1.33Å | Aromatic |
NAM | NAL | doub | 1.29Å | 1.25Å | Aromatic |
CAJ | NAK | sing | 1.36Å | 1.34Å | Aromatic |
NAL | NAK | sing | 1.29Å | 1.28Å | Aromatic |
NAK | CAN | sing | 1.40Å | 1.36Å | |
CAN | CAO | doub | 1.39Å | 1.42Å | Aromatic |
CAN | CAS | sing | 1.39Å | 1.41Å | Aromatic |
CAO | CAP | sing | 1.38Å | 1.39Å | Aromatic |
CAS | CAR | doub | 1.38Å | 1.40Å | Aromatic |
CAP | CAQ | doub | 1.38Å | 1.40Å | Aromatic |
CAR | CAQ | sing | 1.38Å | 1.40Å | Aromatic |
CAO | H1 | sing | 1.08Å | 1.08Å | |
CAP | H2 | sing | 1.08Å | 1.08Å | |
CAQ | H3 | sing | 1.08Å | 1.08Å | |
CAR | H4 | sing | 1.08Å | 1.08Å | |
CAS | H5 | sing | 1.08Å | 1.08Å | |
CAJ | H6 | sing | 1.08Å | 1.08Å | |
CAD | H7 | sing | 1.09Å | 1.10Å | |
NAE | H8 | sing | 1.01Å | 1.00Å | |
CAA | H10 | sing | 1.09Å | 1.10Å | |
CAG | H11 | sing | 1.09Å | 1.10Å | |
CAG | H12 | sing | 1.09Å | 1.10Å | |
CAG | H13 | sing | 1.09Å | 1.10Å | |
CAB | H14 | sing | 1.09Å | 1.10Å | |
OAH | H15 | sing | 0.97Å | 0.95Å | |
CAC | H16 | sing | 1.09Å | 1.10Å | |
OAI | H17 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAH | CAB | CAC | 116.6° | 111.0° |
OAH | CAB | CAA | 107.0° | 111.0° |
OAH | CAB | H14 | 112.1° | 110.9° |
CAB | OAH | H15 | 109.5° | 114.0° |
OAI | CAC | CAB | 112.7° | 110.7° |
OAI | CAC | CAD | 118.8° | 110.7° |
OAI | CAC | H16 | 108.2° | 110.8° |
CAC | OAI | H17 | 109.5° | 114.0° |
CAC | CAB | CAA | 96.9° | 101.7° |
CAB | CAC | CAD | 101.5° | 103.0° |
CAC | CAB | H14 | 111.7° | 110.9° |
CAB | CAC | H16 | 107.7° | 110.7° |
CAB | CAA | CAG | 114.1° | 110.4° |
CAB | CAA | NAE | 101.1° | 104.8° |
CAB | CAA | H10 | 110.1° | 110.4° |
CAA | CAB | H14 | 111.5° | 111.0° |
CAG | CAA | NAE | 109.9° | 110.4° |
CAG | CAA | H10 | 110.4° | 110.4° |
CAA | CAG | H11 | 109.5° | 109.5° |
CAA | CAG | H12 | 109.5° | 109.5° |
CAA | CAG | H13 | 109.5° | 109.4° |
CAC | CAD | NAE | 104.8° | 107.3° |
CAC | CAD | CAF | 114.4° | 109.9° |
CAC | CAD | H7 | 102.4° | 110.0° |
CAD | CAC | H16 | 107.3° | 110.7° |
NAE | CAD | CAF | 126.6° | 109.9° |
CAD | NAE | CAA | 105.4° | 108.6° |
NAE | CAD | H7 | 103.1° | 109.9° |
CAD | NAE | H8 | 110.5° | 111.0° |
CAD | CAF | NAM | 124.3° | 126.7° |
CAD | CAF | CAJ | 127.3° | 126.8° |
CAF | CAD | H7 | 102.3° | 109.9° |
CAA | NAE | H8 | 110.4° | 111.0° |
NAE | CAA | H10 | 110.9° | 110.4° |
NAM | CAF | CAJ | 108.3° | 106.5° |
CAF | NAM | NAL | 106.9° | 109.0° |
CAF | CAJ | NAK | 105.8° | 106.1° |
CAF | CAJ | H6 | 127.1° | 126.9° |
NAM | NAL | NAK | 113.2° | 110.3° |
CAJ | NAK | NAL | 105.9° | 108.1° |
CAJ | NAK | CAN | 130.5° | 126.0° |
NAK | CAJ | H6 | 127.1° | 127.0° |
NAL | NAK | CAN | 123.5° | 125.9° |
NAK | CAN | CAO | 119.0° | 120.0° |
NAK | CAN | CAS | 122.8° | 120.1° |
CAO | CAN | CAS | 118.1° | 119.9° |
CAN | CAO | CAP | 121.3° | 119.9° |
CAN | CAO | H1 | 119.4° | 120.1° |
CAN | CAS | CAR | 120.8° | 119.9° |
CAN | CAS | H5 | 119.6° | 120.0° |
CAO | CAP | CAQ | 119.6° | 120.1° |
CAP | CAO | H1 | 119.4° | 120.0° |
CAO | CAP | H2 | 120.2° | 120.0° |
CAS | CAR | CAQ | 119.7° | 120.1° |
CAS | CAR | H4 | 120.1° | 120.0° |
CAR | CAS | H5 | 119.6° | 120.1° |
CAP | CAQ | CAR | 120.4° | 120.1° |
CAQ | CAP | H2 | 120.2° | 120.0° |
CAP | CAQ | H3 | 119.8° | 119.9° |
CAR | CAQ | H3 | 119.8° | 119.9° |
CAQ | CAR | H4 | 120.1° | 119.9° |
H11 | CAG | H12 | 109.5° | 109.5° |
H11 | CAG | H13 | 109.5° | 109.4° |
H12 | CAG | H13 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAH | CAB | CAC | OAI | 62.5° | 35.9° |
OAH | CAB | CAC | CAA | 113.0° | 118.1° |
OAH | CAB | CAC | H14 | 130.6° | 123.8° |
OAH | CAB | CAA | H14 | 122.9° | 123.9° |
OAH | CAB | CAA | CAG | 51.1° | 37.8° |
OAH | CAB | CAC | CAD | 65.6° | 82.5° |
OAH | CAB | CAA | NAE | 66.8° | 81.0° |
OAH | CAB | CAA | H10 | 175.9° | 160.1° |
OAH | CAB | CAC | H16 | 178.2° | 159.2° |
OAI | CAC | CAB | CAD | 128.2° | 118.4° |
OAI | CAC | CAB | H16 | 119.3° | 123.3° |
OAI | CAC | CAB | CAA | 175.5° | 154.0° |
OAI | CAC | CAD | H16 | 123.0° | 123.3° |
OAI | CAC | CAD | NAE | 149.3° | 140.6° |
OAI | CAC | CAD | CAF | 67.8° | 99.9° |
OAI | CAC | CAD | H7 | 42.0° | 21.1° |
OAI | CAC | CAB | H14 | 68.1° | 87.9° |
CAC | CAB | CAA | H14 | 116.6° | 118.0° |
CAC | CAB | CAA | CAG | 171.6° | 155.9° |
CAB | CAC | CAD | H16 | 112.9° | 118.4° |
CAB | CAC | CAD | NAE | 25.1° | 22.3° |
CAB | CAC | CAD | CAF | 168.0° | 141.7° |
CAC | CAB | CAA | NAE | 53.8° | 37.1° |
CAB | CAC | CAD | H7 | 82.2° | 97.2° |
CAC | CAB | CAA | H10 | 63.6° | 81.8° |
CAC | CAB | OAH | H15 | 180.0° | 61.5° |
CAB | CAC | OAI | H17 | 180.0° | 61.5° |
CAB | CAA | CAG | NAE | 112.7° | 115.4° |
CAB | CAA | CAG | H10 | 124.6° | 122.3° |
CAA | CAB | CAC | CAD | 47.3° | 35.7° |
CAB | CAA | NAE | CAD | 39.2° | 24.1° |
CAB | CAA | NAE | H10 | 116.8° | 118.8° |
CAB | CAA | NAE | H8 | 158.6° | 146.4° |
CAB | CAA | CAG | H11 | 180.0° | 56.9° |
CAB | CAA | CAG | H12 | 60.0° | 63.2° |
CAB | CAA | CAG | H13 | 60.0° | 176.8° |
CAA | CAB | OAH | H15 | 73.0° | 173.7° |
CAA | CAB | CAC | H16 | 65.2° | 82.7° |
CAG | CAA | NAE | CAD | 160.1° | 143.0° |
CAG | CAA | NAE | H10 | 122.4° | 122.3° |
CAG | CAA | NAE | H8 | 80.6° | 94.7° |
CAA | CAG | H11 | H12 | 120.0° | 120.0° |
CAA | CAG | H11 | H13 | 120.0° | 120.0° |
CAA | CAG | H12 | H13 | 120.0° | 120.0° |
CAG | CAA | CAB | H14 | 71.8° | 86.0° |
CAC | CAD | NAE | CAF | 136.7° | 119.4° |
CAC | CAD | NAE | H7 | 106.9° | 119.6° |
CAC | CAD | CAF | H7 | 109.9° | 121.1° |
CAC | CAD | NAE | CAA | 8.7° | 1.0° |
CAC | CAD | CAF | NAM | 7.9° | 54.3° |
CAC | CAD | CAF | CAJ | 169.8° | 125.7° |
CAC | CAD | NAE | H8 | 128.1° | 123.3° |
CAD | CAC | CAB | H14 | 163.7° | 153.7° |
CAD | CAC | OAI | H17 | 61.6° | 175.1° |
NAE | CAD | CAF | H7 | 116.7° | 121.1° |
CAD | NAE | CAA | H8 | 119.4° | 122.3° |
NAE | CAD | CAF | NAM | 141.2° | 63.5° |
NAE | CAD | CAF | CAJ | 36.5° | 116.5° |
CAD | NAE | CAA | H10 | 77.6° | 94.7° |
NAE | CAD | CAC | H16 | 87.7° | 96.1° |
CAF | CAD | NAE | CAA | 128.0° | 118.4° |
CAD | CAF | NAM | CAJ | 178.1° | 180.0° |
CAD | CAF | NAM | NAL | 179.0° | 180.0° |
CAD | CAF | CAJ | NAK | 178.2° | 179.8° |
CAD | CAF | CAJ | H6 | 1.8° | 0.1° |
CAF | CAD | NAE | H8 | 8.7° | 3.9° |
CAF | CAD | CAC | H16 | 55.1° | 23.4° |
CAA | NAE | CAD | H7 | 115.6° | 120.5° |
NAE | CAA | CAG | H11 | 67.3° | 58.5° |
NAE | CAA | CAG | H12 | 52.7° | 178.6° |
NAE | CAA | CAG | H13 | 172.7° | 61.4° |
NAE | CAA | CAB | H14 | 170.3° | 155.1° |
NAM | CAF | CAJ | NAK | 0.2° | 0.2° |
CAF | NAM | NAL | NAK | 1.3° | 0.1° |
NAM | CAF | CAJ | H6 | 179.8° | 179.9° |
NAM | CAF | CAD | H7 | 102.0° | 175.4° |
CAJ | CAF | NAM | NAL | 0.9° | 0.0° |
CAF | CAJ | NAK | H6 | 180.0° | 179.9° |
CAF | CAJ | NAK | NAL | 0.5° | 0.3° |
CAF | CAJ | NAK | CAN | 176.9° | 180.0° |
CAJ | CAF | CAD | H7 | 80.3° | 4.6° |
NAM | NAL | NAK | CAJ | 1.2° | 0.3° |
NAM | NAL | NAK | CAN | 177.8° | 180.0° |
CAJ | NAK | NAL | CAN | 176.7° | 179.8° |
CAJ | NAK | CAN | CAO | 153.2° | 180.0° |
CAJ | NAK | CAN | CAS | 24.3° | 0.6° |
NAL | NAK | CAN | CAO | 22.5° | 0.3° |
NAL | NAK | CAN | CAS | 159.9° | 179.7° |
NAL | NAK | CAJ | H6 | 179.5° | 179.8° |
NAK | CAN | CAO | CAS | 177.6° | 179.4° |
NAK | CAN | CAO | CAP | 178.2° | 180.0° |
NAK | CAN | CAS | CAR | 178.1° | 180.0° |
NAK | CAN | CAO | H1 | 1.8° | 0.3° |
NAK | CAN | CAS | H5 | 1.9° | 0.3° |
CAN | NAK | CAJ | H6 | 3.2° | 0.1° |
CAN | CAO | CAP | H1 | 180.0° | 179.7° |
CAO | CAN | CAS | CAR | 0.6° | 0.6° |
CAN | CAO | CAP | CAQ | 0.2° | 0.2° |
CAN | CAO | CAP | H2 | 179.8° | 179.7° |
CAO | CAN | CAS | H5 | 179.5° | 179.7° |
CAS | CAN | CAO | CAP | 0.5° | 0.6° |
CAN | CAS | CAR | H5 | 180.0° | 179.7° |
CAN | CAS | CAR | CAQ | 0.3° | 0.4° |
CAS | CAN | CAO | H1 | 179.5° | 179.7° |
CAN | CAS | CAR | H4 | 179.7° | 179.6° |
CAO | CAP | CAQ | H2 | 180.0° | 180.0° |
CAO | CAP | CAQ | CAR | 0.0° | 0.0° |
CAO | CAP | CAQ | H3 | 180.0° | 180.0° |
CAS | CAR | CAQ | CAP | 0.0° | 0.0° |
CAS | CAR | CAQ | H4 | 180.0° | 180.0° |
CAS | CAR | CAQ | H3 | 180.0° | 180.0° |
CAP | CAQ | CAR | H3 | 180.0° | 180.0° |
CAQ | CAP | CAO | H1 | 179.8° | 180.0° |
CAP | CAQ | CAR | H4 | 180.0° | 180.0° |
CAR | CAQ | CAP | H2 | 180.0° | 180.0° |
CAQ | CAR | CAS | H5 | 179.7° | 179.9° |
H1 | CAO | CAP | H2 | 0.2° | 0.0° |
H2 | CAP | CAQ | H3 | 0.1° | 0.0° |
H3 | CAQ | CAR | H4 | 0.0° | 0.0° |
H4 | CAR | CAS | H5 | 0.3° | 0.1° |
H7 | CAD | NAE | H8 | 125.1° | 117.2° |
H7 | CAD | CAC | H16 | 165.0° | 144.4° |
H8 | NAE | CAA | H10 | 41.8° | 27.6° |
H10 | CAA | CAG | H11 | 55.4° | 179.2° |
H10 | CAA | CAG | H12 | 175.3° | 59.1° |
H10 | CAA | CAG | H13 | 64.6° | 60.9° |
H10 | CAA | CAB | H14 | 53.0° | 36.3° |
H11 | CAG | H12 | H13 | 120.0° | 120.0° |
H14 | CAB | OAH | H15 | 49.5° | 62.4° |
H14 | CAB | CAC | H16 | 51.2° | 35.4° |
H16 | CAC | OAI | H17 | 61.0° | 61.7° |