8X9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAN | doub | 1.21Å | 1.23Å | |
| CAN | OAB | sing | 1.34Å | 1.22Å | |
| CAN | CAJ | sing | 1.51Å | 1.48Å | |
| CAO | CAM | sing | 1.53Å | 1.53Å | |
| CAJ | CAD | sing | 1.53Å | 1.59Å | |
| CAM | CAL | sing | 1.51Å | 1.48Å | |
| CAI | CAL | doub | 1.33Å | 1.36Å | |
| CAI | CAE | sing | 1.51Å | 1.55Å | |
| CAD | CAG | sing | 1.54Å | 1.58Å | |
| CAD | CAK | sing | 1.53Å | 1.50Å | |
| CAD | CAE | sing | 1.54Å | 1.58Å | |
| CAL | CAH | sing | 1.51Å | 1.51Å | |
| CAG | CAF | sing | 1.54Å | 1.56Å | |
| NAC | CAK | sing | 1.47Å | 1.48Å | |
| CAE | CAF | sing | 1.55Å | 1.46Å | |
| CAH | CAF | sing | 1.55Å | 1.57Å | |
| OAB | H1 | sing | 0.97Å | 0.95Å | |
| CAJ | H2 | sing | 1.09Å | 1.10Å | |
| CAJ | H3 | sing | 1.09Å | 1.10Å | |
| CAK | H4 | sing | 1.09Å | 1.10Å | |
| CAK | H5 | sing | 1.09Å | 1.10Å | |
| NAC | H6 | sing | 1.01Å | 1.00Å | |
| NAC | H7 | sing | 1.01Å | 1.00Å | |
| CAG | H9 | sing | 1.09Å | 1.10Å | |
| CAG | H10 | sing | 1.09Å | 1.10Å | |
| CAF | H11 | sing | 1.09Å | 1.10Å | |
| CAH | H12 | sing | 1.09Å | 1.10Å | |
| CAH | H13 | sing | 1.09Å | 1.10Å | |
| CAE | H14 | sing | 1.09Å | 1.10Å | |
| CAI | H15 | sing | 1.08Å | 1.08Å | |
| CAM | H18 | sing | 1.09Å | 1.10Å | |
| CAM | H19 | sing | 1.09Å | 1.10Å | |
| CAO | H20 | sing | 1.09Å | 1.10Å | |
| CAO | H21 | sing | 1.09Å | 1.10Å | |
| CAO | H22 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | CAN | OAB | 124.6° | 120.0° |
| OAA | CAN | CAJ | 117.3° | 120.0° |
| OAB | CAN | CAJ | 118.0° | 120.0° |
| CAN | OAB | H1 | 109.5° | 117.0° |
| CAN | CAJ | CAD | 112.5° | 109.5° |
| CAN | CAJ | H2 | 108.7° | 109.5° |
| CAN | CAJ | H3 | 108.7° | 109.5° |
| CAO | CAM | CAL | 116.8° | 109.5° |
| CAO | CAM | H18 | 107.6° | 109.4° |
| CAO | CAM | H19 | 107.6° | 109.5° |
| CAM | CAO | H20 | 109.5° | 109.4° |
| CAM | CAO | H21 | 109.4° | 109.5° |
| CAM | CAO | H22 | 109.5° | 109.4° |
| CAJ | CAD | CAG | 116.1° | 113.5° |
| CAJ | CAD | CAK | 111.2° | 112.8° |
| CAJ | CAD | CAE | 114.1° | 113.5° |
| CAD | CAJ | H2 | 108.7° | 109.4° |
| CAD | CAJ | H3 | 108.7° | 109.5° |
| CAM | CAL | CAI | 124.3° | 124.4° |
| CAM | CAL | CAH | 121.6° | 124.7° |
| CAL | CAM | H18 | 107.6° | 109.4° |
| CAL | CAM | H19 | 107.6° | 109.5° |
| CAL | CAI | CAE | 106.9° | 110.9° |
| CAI | CAL | CAH | 113.8° | 110.9° |
| CAL | CAI | H15 | 126.6° | 124.4° |
| CAI | CAE | CAD | 112.4° | 113.5° |
| CAI | CAE | CAF | 107.3° | 104.6° |
| CAI | CAE | H14 | 114.5° | 115.6° |
| CAE | CAI | H15 | 126.5° | 124.8° |
| CAG | CAD | CAK | 111.3° | 113.5° |
| CAG | CAD | CAE | 88.0° | 87.6° |
| CAD | CAG | CAF | 86.2° | 87.6° |
| CAD | CAG | H9 | 114.9° | 113.5° |
| CAD | CAG | H10 | 114.9° | 113.5° |
| CAK | CAD | CAE | 114.3° | 113.6° |
| CAD | CAK | NAC | 110.8° | 109.5° |
| CAD | CAK | H4 | 109.1° | 109.4° |
| CAD | CAK | H5 | 109.1° | 109.5° |
| CAD | CAE | CAF | 90.0° | 87.0° |
| CAD | CAE | H14 | 114.1° | 116.0° |
| CAL | CAH | CAF | 102.6° | 104.8° |
| CAL | CAH | H12 | 111.2° | 110.4° |
| CAL | CAH | H13 | 111.2° | 110.4° |
| CAG | CAF | CAE | 93.3° | 87.1° |
| CAG | CAF | CAH | 116.0° | 113.3° |
| CAF | CAG | H9 | 115.0° | 113.5° |
| CAF | CAG | H10 | 115.0° | 113.6° |
| CAG | CAF | H11 | 112.6° | 116.8° |
| NAC | CAK | H4 | 109.2° | 109.5° |
| NAC | CAK | H5 | 109.1° | 109.5° |
| CAK | NAC | H6 | 109.5° | 111.0° |
| CAK | NAC | H7 | 109.5° | 110.9° |
| CAE | CAF | CAH | 106.5° | 102.1° |
| CAE | CAF | H11 | 114.4° | 117.8° |
| CAF | CAE | H14 | 116.2° | 116.5° |
| CAH | CAF | H11 | 112.5° | 115.7° |
| CAF | CAH | H12 | 111.1° | 110.4° |
| CAF | CAH | H13 | 111.1° | 110.3° |
| H2 | CAJ | H3 | 109.5° | 109.5° |
| H4 | CAK | H5 | 109.5° | 109.4° |
| H6 | NAC | H7 | 109.5° | 111.0° |
| H9 | CAG | H10 | 109.4° | 112.9° |
| H12 | CAH | H13 | 109.5° | 110.3° |
| H18 | CAM | H19 | 109.5° | 109.5° |
| H20 | CAO | H21 | 109.5° | 109.5° |
| H20 | CAO | H22 | 109.5° | 109.5° |
| H21 | CAO | H22 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAN | OAB | CAJ | 179.2° | 179.7° |
| OAA | CAN | CAJ | CAD | 143.0° | 9.3° |
| OAA | CAN | OAB | H1 | 0.0° | 0.0° |
| OAA | CAN | CAJ | H2 | 96.6° | 129.3° |
| OAA | CAN | CAJ | H3 | 22.6° | 110.7° |
| OAB | CAN | CAJ | CAD | 37.8° | 171.0° |
| OAB | CAN | CAJ | H2 | 82.7° | 51.0° |
| OAB | CAN | CAJ | H3 | 158.2° | 69.0° |
| CAN | CAJ | CAD | H2 | 120.4° | 120.0° |
| CAN | CAJ | CAD | H3 | 120.4° | 120.0° |
| CAN | CAJ | CAD | CAG | 73.8° | 176.7° |
| CAN | CAJ | CAD | CAK | 54.9° | 45.8° |
| CAN | CAJ | CAD | CAE | 174.0° | 85.2° |
| CAJ | CAN | OAB | H1 | 179.2° | 179.7° |
| CAN | CAJ | H2 | H3 | 118.6° | 120.1° |
| CAO | CAM | CAL | H18 | 121.0° | 119.9° |
| CAO | CAM | CAL | H19 | 121.1° | 120.1° |
| CAO | CAM | CAL | CAI | 66.1° | 95.0° |
| CAO | CAM | CAL | CAH | 106.9° | 84.3° |
| CAO | CAM | H18 | H19 | 116.6° | 120.0° |
| CAM | CAO | H20 | H21 | 120.0° | 120.0° |
| CAM | CAO | H20 | H22 | 120.0° | 120.0° |
| CAM | CAO | H21 | H22 | 120.0° | 120.0° |
| CAJ | CAD | CAE | CAI | 21.3° | 14.2° |
| CAJ | CAD | CAG | CAK | 128.6° | 130.6° |
| CAJ | CAD | CAG | CAE | 116.0° | 114.7° |
| CAJ | CAD | CAK | CAE | 131.0° | 130.9° |
| CAJ | CAD | CAG | CAF | 127.4° | 90.1° |
| CAJ | CAD | CAK | NAC | 93.6° | 54.7° |
| CAJ | CAD | CAE | CAF | 130.0° | 90.4° |
| CAD | CAJ | H2 | H3 | 118.6° | 120.0° |
| CAJ | CAD | CAK | H4 | 146.2° | 174.7° |
| CAJ | CAD | CAK | H5 | 26.6° | 65.4° |
| CAJ | CAD | CAG | H9 | 116.8° | 155.3° |
| CAJ | CAD | CAG | H10 | 11.6° | 24.6° |
| CAJ | CAD | CAE | H14 | 111.1° | 151.5° |
| CAM | CAL | CAI | CAH | 173.5° | 179.4° |
| CAM | CAL | CAI | CAE | 179.3° | 180.0° |
| CAM | CAL | CAH | CAF | 169.2° | 163.7° |
| CAM | CAL | CAH | H12 | 50.3° | 44.8° |
| CAM | CAL | CAH | H13 | 71.9° | 77.5° |
| CAM | CAL | CAI | H15 | 0.7° | 0.5° |
| CAL | CAM | H18 | H19 | 116.7° | 120.0° |
| CAL | CAM | CAO | H20 | 180.0° | 60.1° |
| CAL | CAM | CAO | H21 | 60.0° | 60.0° |
| CAL | CAM | CAO | H22 | 60.0° | 180.0° |
| CAL | CAI | CAE | H15 | 180.0° | 179.4° |
| CAL | CAI | CAE | CAD | 112.1° | 76.5° |
| CAL | CAI | CAE | CAF | 14.7° | 16.6° |
| CAI | CAL | CAH | CAF | 4.5° | 15.8° |
| CAI | CAL | CAH | H12 | 123.3° | 134.6° |
| CAI | CAL | CAH | H13 | 114.4° | 103.1° |
| CAL | CAI | CAE | H14 | 115.8° | 146.0° |
| CAI | CAL | CAM | H18 | 172.8° | 145.0° |
| CAI | CAL | CAM | H19 | 54.9° | 25.0° |
| CAI | CAE | CAD | CAG | 96.6° | 128.9° |
| CAI | CAE | CAD | CAK | 150.9° | 116.4° |
| CAI | CAE | CAD | CAF | 108.7° | 104.6° |
| CAI | CAE | CAD | H14 | 132.4° | 137.3° |
| CAE | CAI | CAL | CAH | 5.8° | 0.6° |
| CAI | CAE | CAF | CAG | 101.1° | 137.8° |
| CAI | CAE | CAF | H14 | 129.5° | 128.9° |
| CAI | CAE | CAF | CAH | 17.2° | 24.6° |
| CAI | CAE | CAF | H11 | 142.2° | 103.2° |
| CAG | CAD | CAK | CAE | 97.8° | 98.1° |
| CAD | CAG | CAF | H9 | 115.8° | 114.6° |
| CAD | CAG | CAF | H10 | 115.8° | 114.7° |
| CAG | CAD | CAK | NAC | 37.6° | 76.2° |
| CAG | CAD | CAE | CAF | 12.2° | 24.3° |
| CAD | CAG | CAF | CAH | 122.5° | 77.6° |
| CAG | CAD | CAJ | H2 | 46.7° | 56.7° |
| CAG | CAD | CAJ | H3 | 165.8° | 63.3° |
| CAG | CAD | CAK | H4 | 82.6° | 43.7° |
| CAG | CAD | CAK | H5 | 157.8° | 163.7° |
| CAD | CAG | H9 | H10 | 131.1° | 131.0° |
| CAD | CAG | CAF | H11 | 105.8° | 144.1° |
| CAG | CAD | CAE | H14 | 131.1° | 93.8° |
| CAK | CAD | CAG | CAF | 104.0° | 139.3° |
| CAD | CAK | NAC | H4 | 120.2° | 120.0° |
| CAD | CAK | NAC | H5 | 120.2° | 120.1° |
| CAK | CAD | CAE | CAF | 100.4° | 139.0° |
| CAK | CAD | CAJ | H2 | 175.3° | 74.2° |
| CAK | CAD | CAJ | H3 | 65.5° | 165.8° |
| CAD | CAK | H4 | H5 | 119.3° | 120.0° |
| CAD | CAK | NAC | H6 | 180.0° | 173.9° |
| CAD | CAK | NAC | H7 | 60.0° | 62.1° |
| CAK | CAD | CAG | H9 | 11.8° | 24.7° |
| CAK | CAD | CAG | H10 | 140.2° | 106.0° |
| CAK | CAD | CAE | H14 | 18.5° | 21.0° |
| CAE | CAD | CAK | NAC | 135.4° | 174.4° |
| CAD | CAE | CAF | H14 | 117.0° | 117.6° |
| CAD | CAE | CAF | CAH | 130.7° | 88.9° |
| CAE | CAD | CAJ | H2 | 53.6° | 154.8° |
| CAE | CAD | CAJ | H3 | 65.6° | 34.8° |
| CAE | CAD | CAK | H4 | 15.2° | 54.4° |
| CAE | CAD | CAK | H5 | 104.4° | 65.6° |
| CAE | CAD | CAG | H9 | 127.2° | 90.0° |
| CAE | CAD | CAG | H10 | 104.4° | 139.3° |
| CAD | CAE | CAF | H11 | 104.4° | 143.2° |
| CAD | CAE | CAI | H15 | 67.9° | 103.0° |
| CAL | CAH | CAF | CAG | 88.7° | 116.4° |
| CAL | CAH | CAF | CAE | 13.5° | 24.3° |
| CAL | CAH | CAF | H12 | 118.9° | 118.9° |
| CAL | CAH | CAF | H13 | 118.9° | 118.9° |
| CAL | CAH | CAF | H11 | 139.6° | 104.8° |
| CAL | CAH | H12 | H13 | 123.2° | 122.3° |
| CAH | CAL | CAI | H15 | 174.2° | 180.0° |
| CAH | CAL | CAM | H18 | 14.2° | 35.6° |
| CAH | CAL | CAM | H19 | 132.1° | 155.6° |
| CAG | CAF | CAE | CAH | 118.3° | 113.2° |
| CAG | CAF | CAE | H11 | 116.7° | 118.9° |
| CAG | CAF | CAH | H11 | 131.7° | 138.8° |
| CAF | CAG | H9 | H10 | 131.1° | 131.0° |
| CAG | CAF | CAH | H12 | 30.2° | 124.7° |
| CAG | CAF | CAH | H13 | 152.4° | 2.5° |
| CAG | CAF | CAE | H14 | 129.4° | 93.3° |
| NAC | CAK | H4 | H5 | 119.4° | 120.0° |
| CAK | NAC | H6 | H7 | 120.0° | 123.9° |
| CAE | CAF | CAH | H11 | 126.1° | 129.1° |
| CAE | CAF | CAG | H9 | 128.1° | 90.3° |
| CAE | CAF | CAG | H10 | 103.4° | 139.0° |
| CAE | CAF | CAH | H12 | 132.4° | 143.2° |
| CAE | CAF | CAH | H13 | 105.4° | 94.6° |
| CAF | CAE | CAI | H15 | 165.3° | 164.0° |
| CAH | CAF | CAG | H9 | 121.7° | 167.8° |
| CAH | CAF | CAG | H10 | 6.7° | 37.1° |
| CAF | CAH | H12 | H13 | 123.2° | 122.2° |
| CAH | CAF | CAE | H14 | 112.3° | 153.5° |
| H4 | CAK | NAC | H6 | 59.8° | 54.0° |
| H4 | CAK | NAC | H7 | 179.8° | 177.9° |
| H5 | CAK | NAC | H6 | 59.8° | 66.0° |
| H5 | CAK | NAC | H7 | 60.2° | 57.9° |
| H9 | CAG | CAF | H11 | 9.9° | 29.5° |
| H10 | CAG | CAF | H11 | 138.4° | 101.2° |
| H11 | CAF | CAH | H12 | 101.5° | 14.1° |
| H11 | CAF | CAH | H13 | 20.7° | 136.3° |
| H11 | CAF | CAE | H14 | 12.6° | 25.6° |
| H14 | CAE | CAI | H15 | 64.2° | 34.5° |
| H18 | CAM | CAO | H20 | 58.9° | 180.0° |
| H18 | CAM | CAO | H21 | 61.1° | 60.0° |
| H18 | CAM | CAO | H22 | 179.0° | 60.0° |
| H19 | CAM | CAO | H20 | 58.9° | 60.0° |
| H19 | CAM | CAO | H21 | 179.0° | 180.0° |
| H19 | CAM | CAO | H22 | 61.1° | 60.0° |
| H20 | CAO | H21 | H22 | 120.0° | 120.1° |
