8YH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAN | CAM | sing | 1.53Å | 1.47Å | |
| OAC | CAA | doub | 1.22Å | 1.28Å | |
| CAJ | CAL | sing | 1.53Å | 1.48Å | |
| CAJ | NAF | sing | 1.47Å | 1.51Å | |
| CAM | CAL | sing | 1.53Å | 1.53Å | |
| CAA | NAF | sing | 1.35Å | 1.31Å | |
| CAA | NAB | sing | 1.35Å | 1.35Å | |
| CAD | CAG | sing | 1.53Å | 1.40Å | |
| CAD | NAB | sing | 1.47Å | 1.40Å | |
| CAG | CAI | sing | 1.53Å | 1.41Å | |
| NAB | CAE | sing | 1.47Å | 1.46Å | |
| CAI | CAK | sing | 1.53Å | 1.42Å | |
| CAI | CAH | sing | 1.53Å | 1.41Å | |
| CAE | CAH | sing | 1.53Å | 1.43Å | |
| CAE | H1 | sing | 1.09Å | 1.10Å | |
| CAH | H2 | sing | 1.09Å | 1.10Å | |
| CAK | H3 | sing | 1.09Å | 1.10Å | |
| CAK | H4 | sing | 1.09Å | 1.10Å | |
| CAK | H5 | sing | 1.09Å | 1.10Å | |
| CAG | H6 | sing | 1.09Å | 1.10Å | |
| CAD | H7 | sing | 1.09Å | 1.10Å | |
| NAF | H8 | sing | 0.97Å | 1.00Å | |
| CAJ | H9 | sing | 1.09Å | 1.10Å | |
| CAJ | H10 | sing | 1.09Å | 1.10Å | |
| CAL | H11 | sing | 1.09Å | 1.10Å | |
| CAL | H12 | sing | 1.09Å | 1.10Å | |
| CAM | H13 | sing | 1.09Å | 1.10Å | |
| CAM | H14 | sing | 1.09Å | 1.10Å | |
| CAN | H15 | sing | 1.09Å | 1.10Å | |
| CAN | H16 | sing | 1.09Å | 1.10Å | |
| CAN | H17 | sing | 1.09Å | 1.10Å | |
| CAE | H18 | sing | 1.09Å | 1.10Å | |
| CAH | H19 | sing | 1.09Å | 1.10Å | |
| CAI | H20 | sing | 1.09Å | 1.10Å | |
| CAG | H21 | sing | 1.09Å | 1.10Å | |
| CAD | H22 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAN | CAM | CAL | 114.5° | 109.5° |
| CAN | CAM | H13 | 108.2° | 109.5° |
| CAN | CAM | H14 | 108.2° | 109.5° |
| CAM | CAN | H15 | 109.5° | 109.5° |
| CAM | CAN | H16 | 109.5° | 109.4° |
| CAM | CAN | H17 | 109.5° | 109.4° |
| OAC | CAA | NAF | 117.2° | 120.0° |
| OAC | CAA | NAB | 121.1° | 120.0° |
| CAL | CAJ | NAF | 108.0° | 109.5° |
| CAJ | CAL | CAM | 115.3° | 109.5° |
| CAL | CAJ | H9 | 109.9° | 109.4° |
| CAL | CAJ | H10 | 109.8° | 109.5° |
| CAJ | CAL | H11 | 108.0° | 109.5° |
| CAJ | CAL | H12 | 108.0° | 109.4° |
| CAJ | NAF | CAA | 119.9° | 120.0° |
| CAJ | NAF | H8 | 120.0° | 120.0° |
| NAF | CAJ | H9 | 109.8° | 109.5° |
| NAF | CAJ | H10 | 109.8° | 109.5° |
| CAM | CAL | H11 | 108.0° | 109.5° |
| CAM | CAL | H12 | 108.0° | 109.5° |
| CAL | CAM | H13 | 108.2° | 109.4° |
| CAL | CAM | H14 | 108.2° | 109.5° |
| NAF | CAA | NAB | 121.2° | 120.0° |
| CAA | NAF | H8 | 120.0° | 120.0° |
| CAA | NAB | CAD | 120.1° | 120.6° |
| CAA | NAB | CAE | 119.8° | 120.6° |
| CAG | CAD | NAB | 117.7° | 108.7° |
| CAD | CAG | CAI | 116.7° | 109.3° |
| CAD | CAG | H6 | 107.6° | 109.5° |
| CAG | CAD | H7 | 107.4° | 109.6° |
| CAD | CAG | H21 | 107.6° | 109.5° |
| CAG | CAD | H22 | 107.4° | 109.6° |
| CAD | NAB | CAE | 118.0° | 118.7° |
| NAB | CAD | H7 | 107.4° | 109.6° |
| NAB | CAD | H22 | 107.4° | 109.6° |
| CAG | CAI | CAK | 114.3° | 109.4° |
| CAG | CAI | CAH | 116.1° | 109.6° |
| CAI | CAG | H6 | 107.6° | 109.5° |
| CAG | CAI | H20 | 99.2° | 109.5° |
| CAI | CAG | H21 | 107.6° | 109.5° |
| NAB | CAE | CAH | 115.6° | 108.8° |
| NAB | CAE | H1 | 107.9° | 109.5° |
| NAB | CAE | H18 | 107.9° | 109.7° |
| CAK | CAI | CAH | 122.1° | 109.4° |
| CAI | CAK | H3 | 109.5° | 109.5° |
| CAI | CAK | H4 | 109.5° | 109.5° |
| CAI | CAK | H5 | 109.5° | 109.5° |
| CAK | CAI | H20 | 99.2° | 109.4° |
| CAI | CAH | CAE | 118.1° | 109.3° |
| CAI | CAH | H2 | 107.3° | 109.5° |
| CAI | CAH | H19 | 107.3° | 109.5° |
| CAH | CAI | H20 | 99.2° | 109.5° |
| CAH | CAE | H1 | 107.9° | 109.6° |
| CAE | CAH | H2 | 107.3° | 109.5° |
| CAH | CAE | H18 | 107.9° | 109.6° |
| CAE | CAH | H19 | 107.3° | 109.5° |
| H1 | CAE | H18 | 109.5° | 109.6° |
| H2 | CAH | H19 | 109.5° | 109.5° |
| H3 | CAK | H4 | 109.5° | 109.5° |
| H3 | CAK | H5 | 109.5° | 109.5° |
| H4 | CAK | H5 | 109.5° | 109.5° |
| H6 | CAG | H21 | 109.5° | 109.5° |
| H7 | CAD | H22 | 109.5° | 109.7° |
| H9 | CAJ | H10 | 109.5° | 109.5° |
| H11 | CAL | H12 | 109.5° | 109.4° |
| H13 | CAM | H14 | 109.5° | 109.6° |
| H15 | CAN | H16 | 109.5° | 109.5° |
| H15 | CAN | H17 | 109.5° | 109.5° |
| H16 | CAN | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAN | CAM | CAL | CAJ | 58.3° | 180.0° |
| CAN | CAM | CAL | H13 | 120.7° | 120.0° |
| CAN | CAM | CAL | H14 | 120.7° | 120.0° |
| CAN | CAM | CAL | H11 | 62.5° | 60.0° |
| CAN | CAM | CAL | H12 | 179.2° | 60.0° |
| CAN | CAM | H13 | H14 | 117.7° | 120.0° |
| CAM | CAN | H15 | H16 | 120.0° | 119.9° |
| CAM | CAN | H15 | H17 | 120.0° | 119.9° |
| CAM | CAN | H16 | H17 | 120.0° | 119.9° |
| OAC | CAA | NAF | CAJ | 0.8° | 5.1° |
| OAC | CAA | NAF | NAB | 172.0° | 180.0° |
| OAC | CAA | NAB | CAD | 21.6° | 5.0° |
| OAC | CAA | NAB | CAE | 175.6° | 174.9° |
| OAC | CAA | NAF | H8 | 179.3° | 174.9° |
| CAL | CAJ | NAF | H9 | 119.8° | 120.0° |
| CAL | CAJ | NAF | H10 | 119.8° | 120.0° |
| CAJ | CAL | CAM | H11 | 120.9° | 120.0° |
| CAJ | CAL | CAM | H12 | 120.9° | 120.0° |
| CAL | CAJ | NAF | CAA | 151.6° | 180.0° |
| CAL | CAJ | NAF | H8 | 28.5° | 0.0° |
| CAL | CAJ | H9 | H10 | 120.7° | 120.0° |
| CAJ | CAL | H11 | H12 | 117.3° | 119.9° |
| CAJ | CAL | CAM | H13 | 62.4° | 60.0° |
| CAJ | CAL | CAM | H14 | 179.1° | 60.0° |
| NAF | CAJ | CAL | CAM | 176.7° | 180.0° |
| CAJ | NAF | CAA | H8 | 180.0° | 180.0° |
| CAJ | NAF | CAA | NAB | 172.8° | 174.9° |
| NAF | CAJ | H9 | H10 | 120.7° | 120.0° |
| NAF | CAJ | CAL | H11 | 55.8° | 60.0° |
| NAF | CAJ | CAL | H12 | 62.4° | 60.0° |
| CAM | CAL | CAJ | H9 | 56.9° | 60.0° |
| CAM | CAL | CAJ | H10 | 63.6° | 60.0° |
| CAM | CAL | H11 | H12 | 117.3° | 120.0° |
| CAL | CAM | H13 | H14 | 117.7° | 120.0° |
| CAL | CAM | CAN | H15 | 180.0° | 60.0° |
| CAL | CAM | CAN | H16 | 60.0° | 60.0° |
| CAL | CAM | CAN | H17 | 60.0° | 180.0° |
| NAF | CAA | NAB | CAD | 166.7° | 175.0° |
| NAF | CAA | NAB | CAE | 3.9° | 5.1° |
| CAA | NAF | CAJ | H9 | 31.8° | 60.0° |
| CAA | NAF | CAJ | H10 | 88.7° | 60.0° |
| CAA | NAB | CAD | CAG | 166.7° | 126.4° |
| CAA | NAB | CAD | CAE | 163.2° | 179.9° |
| CAA | NAB | CAE | CAH | 171.5° | 126.4° |
| CAA | NAB | CAE | H1 | 67.6° | 6.7° |
| CAA | NAB | CAD | H7 | 72.1° | 113.8° |
| NAB | CAA | NAF | H8 | 7.3° | 5.1° |
| CAA | NAB | CAE | H18 | 50.6° | 113.7° |
| CAA | NAB | CAD | H22 | 45.5° | 6.7° |
| CAG | CAD | NAB | H7 | 121.2° | 119.8° |
| CAG | CAD | NAB | H22 | 121.2° | 119.8° |
| CAD | CAG | CAI | H6 | 121.1° | 119.9° |
| CAD | CAG | CAI | H21 | 121.1° | 120.0° |
| CAG | CAD | NAB | CAE | 30.1° | 53.6° |
| CAD | CAG | CAI | CAK | 169.3° | 178.6° |
| CAD | CAG | CAI | CAH | 40.3° | 61.4° |
| CAD | CAG | H6 | H21 | 116.7° | 120.1° |
| CAG | CAD | H7 | H22 | 116.3° | 120.4° |
| CAD | CAG | CAI | H20 | 64.8° | 58.7° |
| NAB | CAD | CAG | CAI | 37.6° | 54.7° |
| CAD | NAB | CAE | CAH | 25.2° | 53.7° |
| CAD | NAB | CAE | H1 | 95.6° | 173.4° |
| NAB | CAD | CAG | H6 | 83.5° | 174.6° |
| NAB | CAD | H7 | H22 | 116.3° | 120.4° |
| CAD | NAB | CAE | H18 | 146.2° | 66.2° |
| NAB | CAD | CAG | H21 | 158.6° | 65.3° |
| CAG | CAI | CAK | CAH | 148.4° | 120.0° |
| CAG | CAI | CAK | H20 | 104.5° | 120.0° |
| CAG | CAI | CAH | H20 | 105.1° | 120.1° |
| CAG | CAI | CAH | CAE | 36.2° | 61.4° |
| CAG | CAI | CAH | H2 | 85.0° | 178.7° |
| CAG | CAI | CAK | H3 | 180.0° | 60.0° |
| CAG | CAI | CAK | H4 | 60.0° | 60.0° |
| CAG | CAI | CAK | H5 | 60.0° | 179.9° |
| CAI | CAG | H6 | H21 | 116.7° | 120.1° |
| CAI | CAG | CAD | H7 | 83.6° | 65.1° |
| CAG | CAI | CAH | H19 | 157.4° | 58.5° |
| CAI | CAG | CAD | H22 | 158.8° | 174.4° |
| NAB | CAE | CAH | CAI | 28.5° | 54.7° |
| NAB | CAE | CAH | H1 | 120.9° | 119.7° |
| NAB | CAE | CAH | H18 | 120.9° | 120.0° |
| NAB | CAE | H1 | H18 | 117.2° | 120.4° |
| NAB | CAE | CAH | H2 | 92.8° | 174.6° |
| CAE | NAB | CAD | H7 | 91.0° | 66.2° |
| NAB | CAE | CAH | H19 | 149.7° | 65.3° |
| CAE | NAB | CAD | H22 | 151.3° | 173.4° |
| CAK | CAI | CAH | H20 | 107.0° | 119.9° |
| CAK | CAI | CAH | CAE | 175.9° | 178.6° |
| CAK | CAI | CAH | H2 | 62.9° | 58.7° |
| CAI | CAK | H3 | H4 | 120.0° | 120.0° |
| CAI | CAK | H3 | H5 | 120.0° | 120.0° |
| CAI | CAK | H4 | H5 | 120.0° | 120.0° |
| CAK | CAI | CAG | H6 | 69.7° | 58.7° |
| CAK | CAI | CAH | H19 | 54.7° | 61.5° |
| CAK | CAI | CAG | H21 | 48.2° | 61.4° |
| CAI | CAH | CAE | H2 | 121.2° | 119.9° |
| CAI | CAH | CAE | H19 | 121.2° | 120.0° |
| CAI | CAH | CAE | H1 | 92.4° | 174.4° |
| CAI | CAH | H2 | H19 | 116.1° | 120.2° |
| CAH | CAI | CAK | H3 | 31.6° | 60.0° |
| CAH | CAI | CAK | H4 | 88.4° | 180.0° |
| CAH | CAI | CAK | H5 | 151.6° | 60.0° |
| CAH | CAI | CAG | H6 | 80.8° | 178.6° |
| CAI | CAH | CAE | H18 | 149.4° | 65.3° |
| CAH | CAI | CAG | H21 | 161.4° | 58.6° |
| CAH | CAE | H1 | H18 | 117.2° | 120.3° |
| CAE | CAH | H2 | H19 | 116.1° | 120.1° |
| CAE | CAH | CAI | H20 | 68.9° | 58.7° |
| H1 | CAE | CAH | H2 | 146.4° | 65.7° |
| H1 | CAE | CAH | H19 | 28.8° | 54.4° |
| H2 | CAH | CAE | H18 | 28.2° | 54.6° |
| H2 | CAH | CAI | H20 | 169.9° | 61.2° |
| H3 | CAK | H4 | H5 | 120.0° | 120.0° |
| H3 | CAK | CAI | H20 | 75.5° | 180.0° |
| H4 | CAK | CAI | H20 | 164.5° | 60.0° |
| H5 | CAK | CAI | H20 | 44.5° | 59.9° |
| H6 | CAG | CAD | H7 | 155.3° | 54.8° |
| H6 | CAG | CAI | H20 | 174.2° | 61.3° |
| H6 | CAG | CAD | H22 | 37.7° | 65.6° |
| H7 | CAD | CAG | H21 | 37.4° | 174.9° |
| H8 | NAF | CAJ | H9 | 148.3° | 120.0° |
| H8 | NAF | CAJ | H10 | 91.3° | 120.0° |
| H9 | CAJ | CAL | H11 | 63.9° | 180.0° |
| H9 | CAJ | CAL | H12 | 177.8° | 60.0° |
| H10 | CAJ | CAL | H11 | 175.6° | 60.0° |
| H10 | CAJ | CAL | H12 | 57.3° | 180.0° |
| H11 | CAL | CAM | H13 | 176.8° | 180.0° |
| H11 | CAL | CAM | H14 | 58.2° | 60.0° |
| H12 | CAL | CAM | H13 | 58.5° | 60.0° |
| H12 | CAL | CAM | H14 | 60.1° | 180.0° |
| H13 | CAM | CAN | H15 | 59.3° | 179.9° |
| H13 | CAM | CAN | H16 | 60.7° | 59.9° |
| H13 | CAM | CAN | H17 | 179.3° | 60.1° |
| H14 | CAM | CAN | H15 | 59.3° | 60.0° |
| H14 | CAM | CAN | H16 | 179.3° | 180.0° |
| H14 | CAM | CAN | H17 | 60.7° | 60.0° |
| H15 | CAN | H16 | H17 | 120.0° | 120.1° |
| H18 | CAE | CAH | H19 | 89.4° | 174.7° |
| H19 | CAH | CAI | H20 | 52.3° | 178.6° |
| H20 | CAI | CAG | H21 | 56.3° | 178.7° |
| H21 | CAG | CAD | H22 | 80.2° | 54.5° |
