8YT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAB | sing | 1.53Å | 1.54Å | |
| CAB | CAD | sing | 1.53Å | 1.48Å | |
| CAB | CAC | sing | 1.53Å | 1.55Å | |
| OAI | CAE | sing | 1.34Å | 1.28Å | Aromatic |
| OAI | CAH | sing | 1.34Å | 1.51Å | Aromatic |
| CAD | CAE | sing | 1.51Å | 1.48Å | |
| CAD | CAC | sing | 1.53Å | 1.50Å | |
| CAJ | CAH | sing | 1.51Å | 1.53Å | |
| CAJ | CAK | sing | 1.53Å | 1.51Å | |
| CAE | CAF | doub | 1.35Å | 1.35Å | Aromatic |
| CAH | CAG | doub | 1.34Å | 1.35Å | Aromatic |
| CAK | CAL | sing | 1.51Å | 1.54Å | |
| CAO | CAP | sing | 1.53Å | 1.48Å | |
| CAO | NAN | sing | 1.47Å | 1.43Å | |
| CAF | CAG | sing | 1.41Å | 1.36Å | Aromatic |
| CAP | CAQ | sing | 1.53Å | 1.51Å | |
| CAL | NAN | sing | 1.35Å | 1.39Å | |
| CAL | OAM | doub | 1.21Å | 1.24Å | |
| NAN | CAS | sing | 1.47Å | 1.48Å | |
| CAQ | CAT | sing | 1.51Å | 1.57Å | |
| CAQ | CAR | sing | 1.53Å | 1.52Å | |
| OAU | CAT | doub | 1.21Å | 1.23Å | |
| CAT | NAV | sing | 1.35Å | 1.32Å | |
| CAS | CAR | sing | 1.53Å | 1.50Å | |
| CAO | H1 | sing | 1.09Å | 1.10Å | |
| CAO | H2 | sing | 1.09Å | 1.10Å | |
| CAP | H3 | sing | 1.09Å | 1.10Å | |
| CAP | H4 | sing | 1.09Å | 1.10Å | |
| CAQ | H5 | sing | 1.09Å | 1.10Å | |
| NAV | H6 | sing | 0.97Å | 1.00Å | |
| NAV | H7 | sing | 0.97Å | 1.00Å | |
| CAR | H8 | sing | 1.09Å | 1.10Å | |
| CAR | H9 | sing | 1.09Å | 1.10Å | |
| CAS | H10 | sing | 1.09Å | 1.10Å | |
| CAS | H11 | sing | 1.09Å | 1.10Å | |
| CAK | H12 | sing | 1.09Å | 1.10Å | |
| CAK | H13 | sing | 1.09Å | 1.10Å | |
| CAJ | H14 | sing | 1.09Å | 1.10Å | |
| CAJ | H15 | sing | 1.09Å | 1.10Å | |
| CAG | H16 | sing | 1.08Å | 1.08Å | |
| CAF | H17 | sing | 1.08Å | 1.08Å | |
| CAD | H18 | sing | 1.09Å | 1.10Å | |
| CAC | H19 | sing | 1.09Å | 1.10Å | |
| CAC | H20 | sing | 1.09Å | 1.10Å | |
| CAB | H21 | sing | 1.09Å | 1.10Å | |
| CAA | H22 | sing | 1.09Å | 1.10Å | |
| CAA | H23 | sing | 1.09Å | 1.10Å | |
| CAA | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAB | CAD | 109.0° | 117.5° |
| CAA | CAB | CAC | 125.3° | 117.5° |
| CAA | CAB | H21 | 116.0° | 115.5° |
| CAB | CAA | H22 | 109.5° | 109.5° |
| CAB | CAA | H23 | 109.5° | 109.5° |
| CAB | CAA | H24 | 109.5° | 109.4° |
| CAD | CAB | CAC | 59.4° | 60.0° |
| CAB | CAD | CAE | 118.2° | 117.5° |
| CAB | CAD | CAC | 62.8° | 60.0° |
| CAB | CAD | H18 | 114.2° | 117.5° |
| CAD | CAB | H21 | 117.2° | 117.5° |
| CAB | CAC | CAD | 57.8° | 60.0° |
| CAB | CAC | H19 | 120.4° | 117.5° |
| CAB | CAC | H20 | 120.4° | 117.5° |
| CAC | CAB | H21 | 115.8° | 117.5° |
| CAE | OAI | CAH | 104.9° | 109.5° |
| OAI | CAE | CAD | 119.8° | 125.8° |
| OAI | CAE | CAF | 111.9° | 108.4° |
| OAI | CAH | CAJ | 122.4° | 125.8° |
| OAI | CAH | CAG | 106.1° | 108.4° |
| CAE | CAD | CAC | 123.9° | 117.5° |
| CAD | CAE | CAF | 128.1° | 125.8° |
| CAE | CAD | H18 | 114.2° | 115.6° |
| CAC | CAD | H18 | 113.8° | 117.5° |
| CAD | CAC | H19 | 120.4° | 117.5° |
| CAD | CAC | H20 | 120.4° | 117.5° |
| CAH | CAJ | CAK | 111.4° | 109.5° |
| CAJ | CAH | CAG | 131.5° | 125.8° |
| CAH | CAJ | H14 | 109.0° | 109.5° |
| CAH | CAJ | H15 | 109.0° | 109.5° |
| CAJ | CAK | CAL | 120.7° | 109.5° |
| CAJ | CAK | H12 | 106.6° | 109.5° |
| CAJ | CAK | H13 | 106.6° | 109.4° |
| CAK | CAJ | H14 | 109.0° | 109.5° |
| CAK | CAJ | H15 | 109.0° | 109.4° |
| CAE | CAF | CAG | 109.6° | 106.8° |
| CAE | CAF | H17 | 125.2° | 126.6° |
| CAH | CAG | CAF | 107.5° | 106.8° |
| CAH | CAG | H16 | 126.3° | 126.6° |
| CAK | CAL | NAN | 118.7° | 120.0° |
| CAK | CAL | OAM | 116.9° | 120.0° |
| CAL | CAK | H12 | 106.6° | 109.5° |
| CAL | CAK | H13 | 106.6° | 109.4° |
| CAP | CAO | NAN | 111.6° | 108.7° |
| CAO | CAP | CAQ | 110.4° | 109.3° |
| CAP | CAO | H1 | 108.9° | 109.6° |
| CAP | CAO | H2 | 108.9° | 109.6° |
| CAO | CAP | H3 | 109.2° | 109.5° |
| CAO | CAP | H4 | 109.2° | 109.4° |
| CAO | NAN | CAL | 123.2° | 120.6° |
| CAO | NAN | CAS | 114.7° | 118.7° |
| NAN | CAO | H1 | 108.9° | 109.6° |
| NAN | CAO | H2 | 109.0° | 109.6° |
| CAF | CAG | H16 | 126.2° | 126.6° |
| CAG | CAF | H17 | 125.2° | 126.6° |
| CAP | CAQ | CAT | 112.1° | 109.5° |
| CAP | CAQ | CAR | 109.2° | 109.6° |
| CAQ | CAP | H3 | 109.3° | 109.5° |
| CAQ | CAP | H4 | 109.2° | 109.5° |
| CAP | CAQ | H5 | 107.4° | 109.4° |
| NAN | CAL | OAM | 120.8° | 120.0° |
| CAL | NAN | CAS | 121.3° | 120.6° |
| NAN | CAS | CAR | 111.0° | 108.8° |
| NAN | CAS | H10 | 109.1° | 109.6° |
| NAN | CAS | H11 | 109.1° | 109.7° |
| CAT | CAQ | CAR | 114.1° | 109.5° |
| CAQ | CAT | OAU | 123.1° | 120.0° |
| CAQ | CAT | NAV | 116.0° | 120.0° |
| CAT | CAQ | H5 | 106.5° | 109.5° |
| CAQ | CAR | CAS | 113.7° | 109.3° |
| CAR | CAQ | H5 | 107.2° | 109.4° |
| CAQ | CAR | H8 | 108.4° | 109.5° |
| CAQ | CAR | H9 | 108.4° | 109.5° |
| OAU | CAT | NAV | 120.9° | 120.0° |
| CAT | NAV | H6 | 120.0° | 120.0° |
| CAT | NAV | H7 | 120.0° | 120.0° |
| CAS | CAR | H8 | 108.4° | 109.5° |
| CAS | CAR | H9 | 108.4° | 109.5° |
| CAR | CAS | H10 | 109.1° | 109.6° |
| CAR | CAS | H11 | 109.1° | 109.6° |
| H1 | CAO | H2 | 109.5° | 109.7° |
| H3 | CAP | H4 | 109.5° | 109.5° |
| H6 | NAV | H7 | 120.0° | 120.0° |
| H8 | CAR | H9 | 109.5° | 109.5° |
| H10 | CAS | H11 | 109.5° | 109.6° |
| H12 | CAK | H13 | 109.5° | 109.5° |
| H14 | CAJ | H15 | 109.5° | 109.5° |
| H19 | CAC | H20 | 109.4° | 115.5° |
| H22 | CAA | H23 | 109.5° | 109.5° |
| H22 | CAA | H24 | 109.5° | 109.5° |
| H23 | CAA | H24 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAB | CAD | CAC | 120.4° | 107.5° |
| CAA | CAB | CAD | H21 | 134.3° | 145.0° |
| CAA | CAB | CAC | H21 | 159.7° | 145.0° |
| CAA | CAB | CAD | CAE | 123.8° | 145.0° |
| CAA | CAB | CAD | H18 | 14.9° | 0.1° |
| CAA | CAB | CAC | H19 | 16.3° | 145.0° |
| CAA | CAB | CAC | H20 | 158.5° | 0.0° |
| CAB | CAA | H22 | H23 | 120.0° | 120.0° |
| CAB | CAA | H22 | H24 | 120.0° | 120.0° |
| CAB | CAA | H23 | H24 | 120.0° | 119.9° |
| CAD | CAB | CAC | H21 | 107.7° | 107.5° |
| CAB | CAD | CAE | OAI | 92.3° | 60.0° |
| CAB | CAD | CAE | CAC | 74.7° | 68.6° |
| CAB | CAD | CAE | H18 | 138.7° | 145.8° |
| CAB | CAD | CAC | H18 | 106.1° | 107.5° |
| CAB | CAD | CAE | CAF | 92.9° | 120.3° |
| CAD | CAB | CAC | H19 | 108.9° | 107.5° |
| CAD | CAB | CAC | H20 | 108.9° | 107.5° |
| CAD | CAB | CAA | H22 | 180.0° | 60.0° |
| CAD | CAB | CAA | H23 | 60.0° | 180.0° |
| CAD | CAB | CAA | H24 | 60.0° | 60.1° |
| CAB | CAC | H19 | H20 | 145.9° | 145.7° |
| CAC | CAB | CAA | H22 | 114.6° | 128.6° |
| CAC | CAB | CAA | H23 | 5.4° | 111.3° |
| CAC | CAB | CAA | H24 | 125.4° | 8.6° |
| OAI | CAE | CAD | CAF | 174.8° | 179.8° |
| OAI | CAE | CAD | CAC | 167.0° | 8.6° |
| CAE | OAI | CAH | CAJ | 178.7° | 180.0° |
| CAE | OAI | CAH | CAG | 0.6° | 0.3° |
| OAI | CAE | CAF | CAG | 1.7° | 0.1° |
| OAI | CAE | CAF | H17 | 178.2° | 179.8° |
| OAI | CAE | CAD | H18 | 46.4° | 154.3° |
| CAH | OAI | CAE | CAD | 177.0° | 180.0° |
| OAI | CAH | CAJ | CAG | 179.1° | 179.7° |
| OAI | CAH | CAJ | CAK | 163.5° | 89.7° |
| CAH | OAI | CAE | CAF | 1.4° | 0.2° |
| OAI | CAH | CAG | CAF | 0.4° | 0.2° |
| OAI | CAH | CAJ | H14 | 76.2° | 150.3° |
| OAI | CAH | CAJ | H15 | 43.3° | 30.3° |
| OAI | CAH | CAG | H16 | 179.6° | 179.7° |
| CAE | CAD | CAC | H18 | 146.7° | 145.0° |
| CAD | CAE | CAF | CAG | 176.9° | 179.9° |
| CAD | CAE | CAF | H17 | 3.1° | 0.0° |
| CAE | CAD | CAC | H19 | 143.9° | 0.0° |
| CAE | CAD | CAC | H20 | 1.7° | 145.0° |
| CAE | CAD | CAB | H21 | 10.5° | 0.1° |
| CAC | CAD | CAE | CAF | 18.3° | 171.1° |
| CAD | CAC | H19 | H20 | 145.9° | 145.7° |
| CAH | CAJ | CAK | H14 | 120.3° | 120.0° |
| CAH | CAJ | CAK | H15 | 120.3° | 120.0° |
| CAH | CAJ | CAK | CAL | 79.5° | 180.0° |
| CAJ | CAH | CAG | CAF | 179.6° | 180.0° |
| CAH | CAJ | CAK | H12 | 159.0° | 60.0° |
| CAH | CAJ | CAK | H13 | 42.1° | 60.0° |
| CAH | CAJ | H14 | H15 | 119.1° | 120.0° |
| CAJ | CAH | CAG | H16 | 0.4° | 0.0° |
| CAK | CAJ | CAH | CAG | 17.4° | 90.0° |
| CAJ | CAK | CAL | H12 | 121.6° | 120.1° |
| CAJ | CAK | CAL | H13 | 121.5° | 120.0° |
| CAJ | CAK | CAL | NAN | 127.3° | 180.0° |
| CAJ | CAK | CAL | OAM | 73.8° | 0.0° |
| CAJ | CAK | H12 | H13 | 114.9° | 120.0° |
| CAK | CAJ | H14 | H15 | 119.1° | 119.9° |
| CAE | CAF | CAG | CAH | 1.2° | 0.1° |
| CAE | CAF | CAG | H17 | 180.0° | 179.9° |
| CAE | CAF | CAG | H16 | 178.8° | 179.8° |
| CAF | CAE | CAD | H18 | 128.4° | 25.5° |
| CAH | CAG | CAF | H16 | 180.0° | 179.9° |
| CAG | CAH | CAJ | H14 | 102.9° | 30.0° |
| CAG | CAH | CAJ | H15 | 137.7° | 150.0° |
| CAH | CAG | CAF | H17 | 178.7° | 180.0° |
| CAK | CAL | NAN | CAO | 23.5° | 180.0° |
| CAK | CAL | NAN | OAM | 158.1° | 180.0° |
| CAK | CAL | NAN | CAS | 167.8° | 0.0° |
| CAL | CAK | H12 | H13 | 115.0° | 120.0° |
| CAL | CAK | CAJ | H14 | 40.8° | 59.9° |
| CAL | CAK | CAJ | H15 | 160.3° | 60.0° |
| CAP | CAO | NAN | H1 | 120.3° | 119.8° |
| CAP | CAO | NAN | H2 | 120.3° | 119.8° |
| CAO | CAP | CAQ | H3 | 120.1° | 120.0° |
| CAO | CAP | CAQ | H4 | 120.1° | 119.9° |
| CAP | CAO | NAN | CAL | 147.5° | 126.4° |
| CAP | CAO | NAN | CAS | 21.9° | 53.6° |
| CAO | CAP | CAQ | CAT | 173.1° | 178.6° |
| CAO | CAP | CAQ | CAR | 45.6° | 61.4° |
| CAP | CAO | H1 | H2 | 119.0° | 120.4° |
| CAO | CAP | H3 | H4 | 119.6° | 120.0° |
| CAO | CAP | CAQ | H5 | 70.2° | 58.6° |
| NAN | CAO | CAP | CAQ | 66.6° | 54.6° |
| CAO | NAN | CAL | CAS | 168.7° | 180.0° |
| CAO | NAN | CAL | OAM | 178.4° | 0.0° |
| CAO | NAN | CAS | CAR | 36.8° | 53.6° |
| NAN | CAO | H1 | H2 | 119.1° | 120.4° |
| NAN | CAO | CAP | H3 | 53.6° | 65.3° |
| NAN | CAO | CAP | H4 | 173.3° | 174.6° |
| CAO | NAN | CAS | H10 | 157.0° | 173.4° |
| CAO | NAN | CAS | H11 | 83.5° | 66.2° |
| CAP | CAQ | CAT | CAR | 124.8° | 120.1° |
| CAP | CAQ | CAT | H5 | 117.2° | 119.9° |
| CAP | CAQ | CAR | H5 | 116.0° | 120.0° |
| CAP | CAQ | CAT | OAU | 51.7° | 0.0° |
| CAP | CAQ | CAT | NAV | 128.7° | 180.0° |
| CAP | CAQ | CAR | CAS | 12.9° | 61.3° |
| CAQ | CAP | CAO | H1 | 53.7° | 65.1° |
| CAQ | CAP | CAO | H2 | 173.1° | 174.4° |
| CAQ | CAP | H3 | H4 | 119.6° | 120.1° |
| CAP | CAQ | CAR | H8 | 133.6° | 58.6° |
| CAP | CAQ | CAR | H9 | 107.7° | 178.7° |
| CAL | NAN | CAS | CAR | 153.6° | 126.4° |
| CAL | NAN | CAO | H1 | 92.2° | 113.8° |
| CAL | NAN | CAO | H2 | 27.2° | 6.6° |
| CAL | NAN | CAS | H10 | 33.4° | 6.6° |
| CAL | NAN | CAS | H11 | 86.1° | 113.8° |
| NAN | CAL | CAK | H12 | 5.7° | 60.0° |
| NAN | CAL | CAK | H13 | 111.1° | 60.0° |
| OAM | CAL | NAN | CAS | 9.8° | 180.0° |
| OAM | CAL | CAK | H12 | 164.7° | 120.0° |
| OAM | CAL | CAK | H13 | 47.8° | 120.0° |
| NAN | CAS | CAR | CAQ | 55.5° | 54.6° |
| NAN | CAS | CAR | H10 | 120.2° | 119.8° |
| NAN | CAS | CAR | H11 | 120.2° | 119.9° |
| CAS | NAN | CAO | H1 | 98.4° | 66.2° |
| CAS | NAN | CAO | H2 | 142.2° | 173.4° |
| NAN | CAS | CAR | H8 | 176.2° | 65.3° |
| NAN | CAS | CAR | H9 | 65.1° | 174.6° |
| NAN | CAS | H10 | H11 | 119.3° | 120.4° |
| CAT | CAQ | CAR | H5 | 117.7° | 120.0° |
| CAQ | CAT | OAU | NAV | 179.7° | 180.0° |
| CAT | CAQ | CAR | CAS | 113.4° | 178.6° |
| CAT | CAQ | CAP | H3 | 53.0° | 61.5° |
| CAT | CAQ | CAP | H4 | 66.8° | 58.7° |
| CAQ | CAT | NAV | H6 | 179.7° | 0.0° |
| CAQ | CAT | NAV | H7 | 0.3° | 180.0° |
| CAT | CAQ | CAR | H8 | 7.3° | 61.5° |
| CAT | CAQ | CAR | H9 | 126.0° | 58.6° |
| CAR | CAQ | CAT | OAU | 73.1° | 120.1° |
| CAR | CAQ | CAT | NAV | 106.5° | 59.9° |
| CAQ | CAR | CAS | H8 | 120.6° | 119.9° |
| CAQ | CAR | CAS | H9 | 120.6° | 120.0° |
| CAR | CAQ | CAP | H3 | 74.5° | 58.6° |
| CAR | CAQ | CAP | H4 | 165.8° | 178.7° |
| CAQ | CAR | H8 | H9 | 118.1° | 120.1° |
| CAQ | CAR | CAS | H10 | 175.8° | 174.4° |
| CAQ | CAR | CAS | H11 | 64.7° | 65.3° |
| OAU | CAT | CAQ | H5 | 168.8° | 119.9° |
| OAU | CAT | NAV | H6 | 0.0° | 180.0° |
| OAU | CAT | NAV | H7 | 180.0° | 0.1° |
| NAV | CAT | CAQ | H5 | 11.5° | 60.0° |
| CAT | NAV | H6 | H7 | 180.0° | 179.9° |
| CAS | CAR | CAQ | H5 | 128.9° | 58.7° |
| CAS | CAR | H8 | H9 | 118.1° | 120.1° |
| CAR | CAS | H10 | H11 | 119.3° | 120.2° |
| H1 | CAO | CAP | H3 | 173.9° | 174.9° |
| H1 | CAO | CAP | H4 | 66.4° | 54.9° |
| H2 | CAO | CAP | H3 | 66.7° | 54.4° |
| H2 | CAO | CAP | H4 | 53.0° | 65.6° |
| H3 | CAP | CAQ | H5 | 169.6° | 178.6° |
| H4 | CAP | CAQ | H5 | 49.9° | 61.3° |
| H5 | CAQ | CAR | H8 | 110.4° | 178.6° |
| H5 | CAQ | CAR | H9 | 8.3° | 61.3° |
| H8 | CAR | CAS | H10 | 63.6° | 54.5° |
| H8 | CAR | CAS | H11 | 56.0° | 174.8° |
| H9 | CAR | CAS | H10 | 55.2° | 65.6° |
| H9 | CAR | CAS | H11 | 174.7° | 54.7° |
| H12 | CAK | CAJ | H14 | 80.7° | 180.0° |
| H12 | CAK | CAJ | H15 | 38.7° | 60.0° |
| H13 | CAK | CAJ | H14 | 162.4° | 60.0° |
| H13 | CAK | CAJ | H15 | 78.2° | 180.0° |
| H16 | CAG | CAF | H17 | 1.3° | 0.0° |
| H18 | CAD | CAC | H19 | 2.8° | 145.0° |
| H18 | CAD | CAC | H20 | 145.0° | 0.0° |
| H18 | CAD | CAB | H21 | 149.3° | 145.1° |
| H19 | CAC | CAB | H21 | 143.4° | 0.0° |
| H20 | CAC | CAB | H21 | 1.2° | 145.0° |
| H21 | CAB | CAA | H22 | 45.1° | 85.7° |
| H21 | CAB | CAA | H23 | 165.1° | 34.4° |
| H21 | CAB | CAA | H24 | 74.9° | 154.3° |
| H22 | CAA | H23 | H24 | 120.0° | 120.0° |
