8YE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAB | sing | 1.53Å | 1.54Å | |
| CAB | CAC | sing | 1.53Å | 1.53Å | |
| OAJ | CAI | doub | 1.21Å | 1.24Å | |
| CAC | CAD | sing | 1.51Å | 1.54Å | |
| CAE | CAD | doub | 1.35Å | 1.33Å | Aromatic |
| CAE | CAF | sing | 1.42Å | 1.34Å | Aromatic |
| CAD | OAH | sing | 1.34Å | 1.34Å | Aromatic |
| CAI | CAF | sing | 1.48Å | 1.33Å | |
| CAI | NAK | sing | 1.35Å | 1.36Å | |
| CAF | NAG | doub | 1.31Å | 1.33Å | Aromatic |
| CAR | NAK | sing | 1.37Å | 1.33Å | Aromatic |
| CAR | CAQ | doub | 1.35Å | 1.34Å | Aromatic |
| NAK | CAL | sing | 1.36Å | 1.35Å | Aromatic |
| OAH | NAG | sing | 1.21Å | 1.40Å | Aromatic |
| CAQ | NAP | sing | 1.38Å | 1.34Å | Aromatic |
| CAQ | CAM | sing | 1.47Å | 1.33Å | Aromatic |
| CAS | NAP | sing | 1.46Å | 1.48Å | |
| CAS | CAT | sing | 1.53Å | 1.53Å | |
| CAL | CAM | doub | 1.37Å | 1.35Å | Aromatic |
| OAU | CAT | sing | 1.43Å | 1.44Å | |
| NAP | NAO | sing | 1.40Å | 1.34Å | Aromatic |
| CAM | CAN | sing | 1.46Å | 1.35Å | Aromatic |
| NAO | CAN | doub | 1.30Å | 1.33Å | Aromatic |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAB | H4 | sing | 1.09Å | 1.10Å | |
| CAB | H5 | sing | 1.09Å | 1.10Å | |
| CAC | H6 | sing | 1.09Å | 1.10Å | |
| CAC | H7 | sing | 1.09Å | 1.10Å | |
| CAE | H8 | sing | 1.08Å | 1.08Å | |
| CAL | H9 | sing | 1.08Å | 1.08Å | |
| CAR | H10 | sing | 1.08Å | 1.08Å | |
| CAN | H11 | sing | 1.08Å | 1.08Å | |
| CAS | H12 | sing | 1.09Å | 1.10Å | |
| CAS | H13 | sing | 1.09Å | 1.10Å | |
| CAT | H14 | sing | 1.09Å | 1.10Å | |
| CAT | H15 | sing | 1.09Å | 1.10Å | |
| OAU | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAB | CAC | 110.6° | 109.5° |
| CAB | CAA | H1 | 109.5° | 109.5° |
| CAB | CAA | H2 | 109.5° | 109.4° |
| CAB | CAA | H3 | 109.5° | 109.5° |
| CAA | CAB | H4 | 109.2° | 109.5° |
| CAA | CAB | H5 | 109.2° | 109.5° |
| CAB | CAC | CAD | 111.3° | 109.5° |
| CAC | CAB | H4 | 109.2° | 109.5° |
| CAC | CAB | H5 | 109.2° | 109.5° |
| CAB | CAC | H6 | 109.0° | 109.4° |
| CAB | CAC | H7 | 109.0° | 109.5° |
| OAJ | CAI | CAF | 116.6° | 120.0° |
| OAJ | CAI | NAK | 122.7° | 120.0° |
| CAC | CAD | CAE | 126.6° | 126.7° |
| CAC | CAD | OAH | 124.2° | 126.7° |
| CAD | CAC | H6 | 109.0° | 109.5° |
| CAD | CAC | H7 | 109.0° | 109.5° |
| CAD | CAE | CAF | 107.0° | 103.9° |
| CAE | CAD | OAH | 109.1° | 106.7° |
| CAD | CAE | H8 | 126.5° | 128.0° |
| CAE | CAF | CAI | 123.4° | 126.9° |
| CAE | CAF | NAG | 111.2° | 106.1° |
| CAF | CAE | H8 | 126.5° | 128.0° |
| CAD | OAH | NAG | 107.6° | 111.9° |
| CAF | CAI | NAK | 120.5° | 120.0° |
| CAI | CAF | NAG | 125.4° | 127.0° |
| CAI | NAK | CAR | 120.5° | 125.0° |
| CAI | NAK | CAL | 133.2° | 125.0° |
| CAF | NAG | OAH | 104.9° | 111.4° |
| NAK | CAR | CAQ | 110.0° | 109.0° |
| CAR | NAK | CAL | 106.2° | 110.0° |
| NAK | CAR | H10 | 125.0° | 125.5° |
| CAR | CAQ | NAP | 143.9° | 148.1° |
| CAR | CAQ | CAM | 107.3° | 106.5° |
| CAQ | CAR | H10 | 125.0° | 125.5° |
| NAK | CAL | CAM | 108.5° | 108.3° |
| NAK | CAL | H9 | 125.8° | 125.9° |
| NAP | CAQ | CAM | 108.8° | 105.4° |
| CAQ | NAP | CAS | 132.9° | 125.3° |
| CAQ | NAP | NAO | 107.4° | 109.3° |
| CAQ | CAM | CAL | 107.9° | 106.3° |
| CAQ | CAM | CAN | 107.1° | 105.3° |
| NAP | CAS | CAT | 108.5° | 109.5° |
| CAS | NAP | NAO | 119.7° | 125.4° |
| NAP | CAS | H12 | 109.7° | 109.5° |
| NAP | CAS | H13 | 109.7° | 109.5° |
| CAS | CAT | OAU | 110.8° | 109.5° |
| CAT | CAS | H12 | 109.7° | 109.4° |
| CAT | CAS | H13 | 109.7° | 109.5° |
| CAS | CAT | H14 | 109.1° | 109.5° |
| CAS | CAT | H15 | 109.2° | 109.5° |
| CAL | CAM | CAN | 144.7° | 148.4° |
| CAM | CAL | H9 | 125.7° | 125.9° |
| OAU | CAT | H14 | 109.1° | 109.4° |
| OAU | CAT | H15 | 109.2° | 109.5° |
| CAT | OAU | H16 | 109.5° | 114.0° |
| NAP | NAO | CAN | 108.1° | 111.6° |
| CAM | CAN | NAO | 108.5° | 108.3° |
| CAM | CAN | H11 | 125.8° | 125.8° |
| NAO | CAN | H11 | 125.8° | 125.9° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H4 | CAB | H5 | 109.5° | 109.4° |
| H6 | CAC | H7 | 109.5° | 109.5° |
| H12 | CAS | H13 | 109.5° | 109.5° |
| H14 | CAT | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAB | CAC | H4 | 120.2° | 120.0° |
| CAA | CAB | CAC | H5 | 120.2° | 120.1° |
| CAA | CAB | CAC | CAD | 174.6° | 180.0° |
| CAB | CAA | H1 | H2 | 120.0° | 120.0° |
| CAB | CAA | H1 | H3 | 120.0° | 120.0° |
| CAB | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAB | H4 | H5 | 119.5° | 120.0° |
| CAA | CAB | CAC | H6 | 54.3° | 60.0° |
| CAA | CAB | CAC | H7 | 65.1° | 60.0° |
| CAB | CAC | CAD | H6 | 120.3° | 120.0° |
| CAB | CAC | CAD | H7 | 120.3° | 120.0° |
| CAB | CAC | CAD | CAE | 10.7° | 90.3° |
| CAB | CAC | CAD | OAH | 171.6° | 90.1° |
| CAC | CAB | CAA | H1 | 180.0° | 60.0° |
| CAC | CAB | CAA | H2 | 60.0° | 60.0° |
| CAC | CAB | CAA | H3 | 60.0° | 180.0° |
| CAC | CAB | H4 | H5 | 119.5° | 120.0° |
| CAB | CAC | H6 | H7 | 119.1° | 120.0° |
| OAJ | CAI | CAF | CAE | 30.7° | 0.1° |
| OAJ | CAI | CAF | NAK | 175.4° | 179.9° |
| OAJ | CAI | CAF | NAG | 146.3° | 179.8° |
| OAJ | CAI | NAK | CAR | 10.4° | 0.3° |
| OAJ | CAI | NAK | CAL | 171.5° | 180.0° |
| CAC | CAD | CAE | OAH | 178.0° | 179.7° |
| CAC | CAD | CAE | CAF | 178.8° | 179.9° |
| CAC | CAD | OAH | NAG | 179.4° | 179.9° |
| CAD | CAC | CAB | H4 | 65.2° | 60.0° |
| CAD | CAC | CAB | H5 | 54.4° | 60.0° |
| CAD | CAC | H6 | H7 | 119.2° | 120.0° |
| CAC | CAD | CAE | H8 | 1.2° | 0.0° |
| CAD | CAE | CAF | H8 | 180.0° | 180.0° |
| CAD | CAE | CAF | CAI | 178.7° | 179.9° |
| CAD | CAE | CAF | NAG | 3.9° | 0.2° |
| CAE | CAD | OAH | NAG | 1.4° | 0.2° |
| CAE | CAD | CAC | H6 | 109.5° | 29.7° |
| CAE | CAD | CAC | H7 | 131.0° | 149.7° |
| CAF | CAE | CAD | OAH | 3.2° | 0.2° |
| CAE | CAF | CAI | NAG | 177.0° | 179.9° |
| CAE | CAF | CAI | NAK | 144.7° | 180.0° |
| CAE | CAF | NAG | OAH | 3.0° | 0.0° |
| CAD | OAH | NAG | CAF | 0.9° | 0.1° |
| OAH | CAD | CAC | H6 | 68.1° | 150.0° |
| OAH | CAD | CAC | H7 | 51.3° | 29.9° |
| OAH | CAD | CAE | H8 | 176.8° | 179.7° |
| CAF | CAI | NAK | CAR | 174.5° | 179.7° |
| CAF | CAI | NAK | CAL | 3.5° | 0.1° |
| CAI | CAF | NAG | OAH | 179.7° | 179.9° |
| CAI | CAF | CAE | H8 | 1.3° | 0.1° |
| NAK | CAI | CAF | NAG | 38.3° | 0.1° |
| CAI | NAK | CAR | CAL | 178.5° | 179.7° |
| CAI | NAK | CAR | CAQ | 179.4° | 180.0° |
| CAI | NAK | CAL | CAM | 176.9° | 180.0° |
| CAI | NAK | CAL | H9 | 3.2° | 0.0° |
| CAI | NAK | CAR | H10 | 0.7° | 0.0° |
| NAG | CAF | CAE | H8 | 176.1° | 179.8° |
| NAK | CAR | CAQ | H10 | 180.0° | 180.0° |
| NAK | CAR | CAQ | NAP | 178.2° | 180.0° |
| NAK | CAR | CAQ | CAM | 2.8° | 0.1° |
| CAR | NAK | CAL | CAM | 1.4° | 0.3° |
| CAR | NAK | CAL | H9 | 178.6° | 179.7° |
| CAQ | CAR | NAK | CAL | 0.9° | 0.3° |
| CAR | CAQ | NAP | CAM | 179.0° | 179.9° |
| CAR | CAQ | NAP | CAS | 0.3° | 0.0° |
| CAR | CAQ | CAM | CAL | 3.6° | 0.0° |
| CAR | CAQ | NAP | NAO | 179.5° | 180.0° |
| CAR | CAQ | CAM | CAN | 179.3° | 179.9° |
| NAK | CAL | CAM | CAQ | 3.1° | 0.2° |
| NAK | CAL | CAM | H9 | 180.0° | 180.0° |
| NAK | CAL | CAM | CAN | 176.0° | 180.0° |
| CAL | NAK | CAR | H10 | 179.2° | 179.7° |
| CAQ | NAP | CAS | NAO | 179.1° | 180.0° |
| CAQ | NAP | CAS | CAT | 173.1° | 90.0° |
| NAP | CAQ | CAM | CAL | 177.0° | 179.9° |
| NAP | CAQ | CAM | CAN | 1.3° | 0.0° |
| CAQ | NAP | NAO | CAN | 0.5° | 0.3° |
| NAP | CAQ | CAR | H10 | 1.8° | 0.0° |
| CAQ | NAP | CAS | H12 | 53.2° | 150.0° |
| CAQ | NAP | CAS | H13 | 67.1° | 30.0° |
| CAM | CAQ | NAP | CAS | 178.7° | 179.9° |
| CAQ | CAM | CAL | CAN | 172.9° | 179.8° |
| CAM | CAQ | NAP | NAO | 0.5° | 0.1° |
| CAQ | CAM | CAN | NAO | 1.7° | 0.2° |
| CAQ | CAM | CAL | H9 | 176.9° | 179.8° |
| CAM | CAQ | CAR | H10 | 177.2° | 179.9° |
| CAQ | CAM | CAN | H11 | 178.3° | 179.9° |
| NAP | CAS | CAT | H12 | 119.8° | 120.0° |
| NAP | CAS | CAT | H13 | 119.9° | 120.0° |
| NAP | CAS | CAT | OAU | 167.3° | 180.0° |
| CAS | NAP | NAO | CAN | 179.9° | 179.8° |
| NAP | CAS | H12 | H13 | 120.5° | 120.1° |
| NAP | CAS | CAT | H14 | 72.5° | 60.1° |
| NAP | CAS | CAT | H15 | 47.1° | 60.0° |
| CAS | CAT | OAU | H14 | 120.2° | 120.0° |
| CAS | CAT | OAU | H15 | 120.2° | 120.0° |
| CAT | CAS | NAP | NAO | 7.8° | 89.9° |
| CAT | CAS | H12 | H13 | 120.4° | 120.0° |
| CAS | CAT | H14 | H15 | 119.4° | 120.0° |
| CAS | CAT | OAU | H16 | 180.0° | 180.0° |
| CAL | CAM | CAN | NAO | 174.6° | 180.0° |
| CAL | CAM | CAN | H11 | 5.4° | 0.1° |
| OAU | CAT | CAS | H12 | 47.5° | 60.1° |
| OAU | CAT | CAS | H13 | 72.8° | 60.0° |
| OAU | CAT | H14 | H15 | 119.4° | 120.0° |
| NAP | NAO | CAN | CAM | 1.4° | 0.3° |
| NAP | NAO | CAN | H11 | 178.6° | 179.8° |
| NAO | NAP | CAS | H12 | 127.6° | 30.0° |
| NAO | NAP | CAS | H13 | 112.1° | 150.1° |
| CAM | CAN | NAO | H11 | 180.0° | 180.0° |
| CAN | CAM | CAL | H9 | 4.0° | 0.1° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H1 | CAA | CAB | H4 | 59.8° | 60.0° |
| H1 | CAA | CAB | H5 | 59.8° | 180.0° |
| H2 | CAA | CAB | H4 | 60.2° | 180.0° |
| H2 | CAA | CAB | H5 | 179.8° | 60.0° |
| H3 | CAA | CAB | H4 | 179.8° | 60.0° |
| H3 | CAA | CAB | H5 | 60.2° | 60.0° |
| H4 | CAB | CAC | H6 | 174.5° | 179.9° |
| H4 | CAB | CAC | H7 | 55.1° | 60.0° |
| H5 | CAB | CAC | H6 | 65.9° | 60.0° |
| H5 | CAB | CAC | H7 | 174.7° | 180.0° |
| H12 | CAS | CAT | H14 | 167.6° | 180.0° |
| H12 | CAS | CAT | H15 | 72.7° | 60.0° |
| H13 | CAS | CAT | H14 | 47.3° | 60.0° |
| H13 | CAS | CAT | H15 | 167.0° | NaN° |
| H14 | CAT | OAU | H16 | 59.9° | 60.1° |
| H15 | CAT | OAU | H16 | 59.8° | 59.9° |
