2DZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAU | CAA | sing | 1.43Å | 1.40Å | |
| OAU | CAX | sing | 1.36Å | 1.35Å | |
| CAM | CAX | doub | 1.39Å | 1.38Å | Aromatic |
| CAM | CAO | sing | 1.38Å | 1.36Å | Aromatic |
| CAX | CAQ | sing | 1.38Å | 1.43Å | Aromatic |
| CAO | CBD | doub | 1.39Å | 1.37Å | Aromatic |
| CAQ | CBC | doub | 1.40Å | 1.38Å | Aromatic |
| CBD | CBC | sing | 1.41Å | 1.35Å | Aromatic |
| CBD | N | sing | 1.38Å | 1.34Å | Aromatic |
| CBC | CAR | sing | 1.42Å | 1.39Å | Aromatic |
| CA | N | sing | 1.46Å | 1.44Å | |
| CA | C | sing | 1.51Å | 1.46Å | |
| N | CAZ | sing | 1.38Å | 1.35Å | Aromatic |
| O | C | doub | 1.21Å | 1.25Å | |
| C | OXT | sing | 1.34Å | 1.25Å | |
| CAR | CAZ | doub | 1.36Å | 1.37Å | Aromatic |
| CAZ | CAW | sing | 1.47Å | 1.36Å | |
| CAW | OAC | doub | 1.22Å | 1.26Å | |
| CAW | NAT | sing | 1.35Å | 1.31Å | |
| NAT | SBH | sing | 1.66Å | 1.62Å | |
| OAH | NBF | doub | 1.22Å | 1.33Å | |
| NBF | OAD | sing | 1.22Å | 1.49Å | |
| NBF | CBA | sing | 1.48Å | 1.37Å | |
| SBH | OAF | doub | 1.42Å | 1.57Å | |
| SBH | CBB | sing | 1.76Å | 1.76Å | |
| SBH | OAE | doub | 1.42Å | 1.54Å | |
| CBA | CBB | doub | 1.38Å | 1.43Å | Aromatic |
| CBA | CAP | sing | 1.38Å | 1.38Å | Aromatic |
| CBB | CAN | sing | 1.38Å | 1.37Å | Aromatic |
| CAP | CAY | doub | 1.38Å | 1.38Å | Aromatic |
| FAK | CBG | sing | 1.40Å | 1.31Å | |
| CAN | CAL | doub | 1.38Å | 1.40Å | Aromatic |
| CAY | CAL | sing | 1.38Å | 1.40Å | Aromatic |
| CAY | CBG | sing | 1.51Å | 1.46Å | |
| CBG | FAI | sing | 1.40Å | 1.48Å | |
| CBG | FAJ | sing | 1.40Å | 1.34Å | |
| OXT | H1 | sing | 0.97Å | 0.95Å | |
| CA | H2 | sing | 1.09Å | 1.10Å | |
| CA | H3 | sing | 1.09Å | 1.10Å | |
| CAO | H4 | sing | 1.08Å | 1.08Å | |
| CAM | H5 | sing | 1.08Å | 1.08Å | |
| CAA | H6 | sing | 1.09Å | 1.10Å | |
| CAA | H7 | sing | 1.09Å | 1.10Å | |
| CAA | H8 | sing | 1.09Å | 1.10Å | |
| CAQ | H9 | sing | 1.08Å | 1.08Å | |
| CAR | H10 | sing | 1.08Å | 1.08Å | |
| NAT | H11 | sing | 0.97Å | 1.00Å | |
| CAN | H12 | sing | 1.08Å | 1.08Å | |
| CAL | H13 | sing | 1.08Å | 1.08Å | |
| CAP | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | OAU | CAX | 119.9° | 117.0° |
| OAU | CAA | H6 | 109.5° | 109.5° |
| OAU | CAA | H7 | 109.5° | 109.5° |
| OAU | CAA | H8 | 109.5° | 109.5° |
| OAU | CAX | CAM | 116.5° | 119.9° |
| OAU | CAX | CAQ | 125.5° | 119.8° |
| CAX | CAM | CAO | 120.6° | 120.6° |
| CAM | CAX | CAQ | 118.0° | 120.3° |
| CAX | CAM | H5 | 119.7° | 119.7° |
| CAM | CAO | CBD | 121.2° | 120.0° |
| CAM | CAO | H4 | 119.4° | 120.0° |
| CAO | CAM | H5 | 119.7° | 119.7° |
| CAX | CAQ | CBC | 119.2° | 119.7° |
| CAX | CAQ | H9 | 120.4° | 120.1° |
| CAO | CBD | CBC | 119.7° | 119.6° |
| CAO | CBD | N | 130.0° | 133.0° |
| CBD | CAO | H4 | 119.4° | 120.0° |
| CAQ | CBC | CBD | 121.2° | 119.7° |
| CAQ | CBC | CAR | 132.6° | 133.3° |
| CBC | CAQ | H9 | 120.4° | 120.2° |
| CBC | CBD | N | 110.2° | 107.3° |
| CBD | CBC | CAR | 106.3° | 107.0° |
| CBD | N | CA | 123.7° | 125.6° |
| CBD | N | CAZ | 108.0° | 108.8° |
| CBC | CAR | CAZ | 107.5° | 107.7° |
| CBC | CAR | H10 | 126.3° | 126.1° |
| N | CA | C | 128.5° | 109.5° |
| CA | N | CAZ | 127.7° | 125.6° |
| N | CA | H2 | 104.5° | 109.5° |
| N | CA | H3 | 104.6° | 109.5° |
| CA | C | O | 113.8° | 120.0° |
| CA | C | OXT | 114.8° | 120.0° |
| C | CA | H2 | 104.5° | 109.5° |
| C | CA | H3 | 104.5° | 109.4° |
| N | CAZ | CAR | 108.0° | 109.2° |
| N | CAZ | CAW | 124.2° | 125.4° |
| O | C | OXT | 131.1° | 120.0° |
| C | OXT | H1 | 109.5° | 117.0° |
| CAR | CAZ | CAW | 127.7° | 125.4° |
| CAZ | CAR | H10 | 126.2° | 126.1° |
| CAZ | CAW | OAC | 123.7° | 120.0° |
| CAZ | CAW | NAT | 114.5° | 119.9° |
| OAC | CAW | NAT | 121.8° | 120.0° |
| CAW | NAT | SBH | 120.2° | 120.0° |
| CAW | NAT | H11 | 119.9° | 120.0° |
| NAT | SBH | OAF | 109.8° | 106.4° |
| NAT | SBH | CBB | 110.4° | 107.2° |
| NAT | SBH | OAE | 110.3° | 106.4° |
| SBH | NAT | H11 | 119.9° | 120.0° |
| OAH | NBF | OAD | 117.4° | 120.0° |
| OAH | NBF | CBA | 115.7° | 120.0° |
| OAD | NBF | CBA | 123.1° | 120.0° |
| NBF | CBA | CBB | 121.2° | 120.0° |
| NBF | CBA | CAP | 118.7° | 120.0° |
| OAF | SBH | CBB | 106.3° | 106.4° |
| OAF | SBH | OAE | 111.7° | 123.2° |
| CBB | SBH | OAE | 108.2° | 106.4° |
| SBH | CBB | CBA | 127.0° | 120.0° |
| SBH | CBB | CAN | 113.2° | 120.0° |
| CBB | CBA | CAP | 120.0° | 120.0° |
| CBA | CBB | CAN | 119.8° | 120.0° |
| CBA | CAP | CAY | 120.8° | 120.0° |
| CBA | CAP | H14 | 119.6° | 120.0° |
| CBB | CAN | CAL | 118.6° | 120.0° |
| CBB | CAN | H12 | 120.7° | 120.0° |
| CAP | CAY | CAL | 118.4° | 120.0° |
| CAP | CAY | CBG | 120.1° | 120.0° |
| CAY | CAP | H14 | 119.6° | 120.0° |
| FAK | CBG | CAY | 113.3° | 109.4° |
| FAK | CBG | FAI | 111.1° | 109.5° |
| FAK | CBG | FAJ | 104.5° | 109.5° |
| CAN | CAL | CAY | 122.2° | 120.0° |
| CAL | CAN | H12 | 120.7° | 120.0° |
| CAN | CAL | H13 | 118.9° | 120.0° |
| CAL | CAY | CBG | 121.4° | 120.0° |
| CAY | CAL | H13 | 118.9° | 120.0° |
| CAY | CBG | FAI | 109.0° | 109.5° |
| CAY | CBG | FAJ | 109.7° | 109.5° |
| FAI | CBG | FAJ | 109.2° | 109.5° |
| H2 | CA | H3 | 109.4° | 109.5° |
| H6 | CAA | H7 | 109.4° | 109.5° |
| H6 | CAA | H8 | 109.5° | 109.4° |
| H7 | CAA | H8 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | OAU | CAX | CAM | 162.6° | 0.0° |
| CAA | OAU | CAX | CAQ | 17.5° | 180.0° |
| OAU | CAA | H6 | H7 | 120.0° | 120.0° |
| OAU | CAA | H6 | H8 | 120.0° | 120.0° |
| OAU | CAA | H7 | H8 | 120.0° | 120.1° |
| OAU | CAX | CAM | CAQ | 179.8° | 180.0° |
| OAU | CAX | CAM | CAO | 176.6° | 180.0° |
| OAU | CAX | CAQ | CBC | 177.4° | 180.0° |
| OAU | CAX | CAM | H5 | 3.4° | 0.1° |
| CAX | OAU | CAA | H6 | 180.0° | 60.0° |
| CAX | OAU | CAA | H7 | 60.0° | 60.0° |
| CAX | OAU | CAA | H8 | 60.0° | 180.0° |
| OAU | CAX | CAQ | H9 | 2.6° | 0.0° |
| CAX | CAM | CAO | H5 | 180.0° | 179.9° |
| CAX | CAM | CAO | CBD | 3.7° | 0.1° |
| CAM | CAX | CAQ | CBC | 2.8° | 0.1° |
| CAX | CAM | CAO | H4 | 176.3° | 180.0° |
| CAM | CAX | CAQ | H9 | 177.2° | 180.0° |
| CAO | CAM | CAX | CAQ | 3.6° | 0.1° |
| CAM | CAO | CBD | H4 | 180.0° | 180.0° |
| CAM | CAO | CBD | CBC | 2.9° | 0.0° |
| CAM | CAO | CBD | N | 179.6° | 180.0° |
| CAX | CAQ | CBC | H9 | 180.0° | 179.9° |
| CAX | CAQ | CBC | CBD | 2.0° | 0.0° |
| CAX | CAQ | CBC | CAR | 178.4° | 179.9° |
| CAQ | CAX | CAM | H5 | 176.4° | 180.0° |
| CAO | CBD | CBC | CAQ | 2.0° | 0.0° |
| CAO | CBD | CBC | N | 178.0° | 180.0° |
| CAO | CBD | CBC | CAR | 178.3° | 179.9° |
| CAO | CBD | N | CA | 5.9° | 0.0° |
| CAO | CBD | N | CAZ | 177.3° | 179.8° |
| CBD | CAO | CAM | H5 | 176.3° | 179.9° |
| CAQ | CBC | CBD | CAR | 179.7° | 179.9° |
| CAQ | CBC | CBD | N | 179.9° | 180.0° |
| CAQ | CBC | CAR | CAZ | 179.5° | 179.8° |
| CAQ | CBC | CAR | H10 | 0.5° | 0.1° |
| CBC | CBD | N | CA | 171.9° | 180.0° |
| CBC | CBD | N | CAZ | 0.5° | 0.2° |
| CBD | CBC | CAR | CAZ | 0.9° | 0.3° |
| CBC | CBD | CAO | H4 | 177.1° | 180.0° |
| CBD | CBC | CAQ | H9 | 178.0° | 180.0° |
| CBD | CBC | CAR | H10 | 179.1° | 180.0° |
| N | CBD | CBC | CAR | 0.2° | 0.1° |
| CBD | N | CA | CAZ | 169.6° | 179.7° |
| CBD | N | CA | C | 116.4° | 95.2° |
| CBD | N | CAZ | CAR | 1.0° | 0.5° |
| CBD | N | CAZ | CAW | 178.6° | 179.7° |
| CBD | N | CA | H2 | 121.1° | 144.8° |
| CBD | N | CA | H3 | 6.1° | 24.8° |
| N | CBD | CAO | H4 | 0.4° | 0.0° |
| CBC | CAR | CAZ | N | 1.2° | 0.5° |
| CBC | CAR | CAZ | H10 | 180.0° | 179.7° |
| CBC | CAR | CAZ | CAW | 178.6° | 179.7° |
| CAR | CBC | CAQ | H9 | 1.6° | 0.1° |
| N | CA | C | H2 | 122.5° | 120.0° |
| N | CA | C | H3 | 122.5° | 120.0° |
| N | CA | C | O | 175.7° | 0.0° |
| N | CA | C | OXT | 10.4° | 179.8° |
| CA | N | CAZ | CAR | 172.0° | 179.8° |
| CA | N | CAZ | CAW | 10.5° | 0.0° |
| N | CA | H2 | H3 | 111.5° | 120.0° |
| C | CA | N | CAZ | 74.0° | 84.5° |
| CA | C | O | OXT | 172.6° | 179.8° |
| CA | C | OXT | H1 | 172.6° | 179.7° |
| C | CA | H2 | H3 | 111.5° | 120.0° |
| N | CAZ | CAR | CAW | 177.5° | 179.8° |
| N | CAZ | CAW | OAC | 5.7° | 171.6° |
| N | CAZ | CAW | NAT | 173.7° | 8.4° |
| CAZ | N | CA | H2 | 48.5° | 35.5° |
| CAZ | N | CA | H3 | 163.5° | 155.6° |
| N | CAZ | CAR | H10 | 178.8° | 179.8° |
| O | C | OXT | H1 | 0.0° | 0.1° |
| O | C | CA | H2 | 53.2° | 120.0° |
| O | C | CA | H3 | 61.8° | 120.0° |
| OXT | C | CA | H2 | 132.9° | 60.2° |
| OXT | C | CA | H3 | 112.1° | 59.7° |
| CAR | CAZ | CAW | OAC | 171.3° | 8.1° |
| CAR | CAZ | CAW | NAT | 9.3° | 171.9° |
| CAZ | CAW | OAC | NAT | 179.4° | 180.0° |
| CAZ | CAW | NAT | SBH | 177.2° | 177.4° |
| CAW | CAZ | CAR | H10 | 1.4° | 0.1° |
| CAZ | CAW | NAT | H11 | 2.8° | 2.6° |
| OAC | CAW | NAT | SBH | 3.4° | 2.6° |
| OAC | CAW | NAT | H11 | 176.6° | 177.4° |
| CAW | NAT | SBH | H11 | 180.0° | 180.0° |
| CAW | NAT | SBH | OAF | 74.6° | 51.9° |
| CAW | NAT | SBH | CBB | 42.4° | 61.7° |
| CAW | NAT | SBH | OAE | 161.9° | 175.2° |
| NAT | SBH | OAF | CBB | 119.5° | 114.1° |
| NAT | SBH | OAF | OAE | 122.7° | 122.9° |
| NAT | SBH | CBB | OAE | 120.8° | 113.5° |
| NAT | SBH | CBB | CBA | 58.3° | 58.1° |
| NAT | SBH | CBB | CAN | 121.4° | 121.7° |
| OAH | NBF | OAD | CBA | 157.1° | 180.0° |
| OAH | NBF | CBA | CBB | 45.2° | 0.5° |
| OAH | NBF | CBA | CAP | 130.2° | 179.8° |
| OAD | NBF | CBA | CBB | 157.3° | 179.5° |
| OAD | NBF | CBA | CAP | 27.3° | 0.2° |
| NBF | CBA | CBB | SBH | 4.2° | 0.0° |
| NBF | CBA | CBB | CAP | 175.4° | 179.7° |
| NBF | CBA | CBB | CAN | 175.6° | 179.7° |
| NBF | CBA | CAP | CAY | 178.2° | 179.8° |
| NBF | CBA | CAP | H14 | 1.8° | 0.0° |
| OAF | SBH | CBB | OAE | 120.1° | 133.0° |
| OAF | SBH | CBB | CBA | 177.4° | 171.6° |
| OAF | SBH | CBB | CAN | 2.3° | 8.1° |
| OAF | SBH | NAT | H11 | 105.4° | 128.2° |
| SBH | CBB | CBA | CAN | 179.7° | 179.8° |
| SBH | CBB | CBA | CAP | 179.5° | 179.7° |
| SBH | CBB | CAN | CAL | 179.9° | 180.0° |
| CBB | SBH | NAT | H11 | 137.7° | 118.3° |
| SBH | CBB | CAN | H12 | 0.1° | 0.0° |
| OAE | SBH | CBB | CBA | 62.5° | 55.4° |
| OAE | SBH | CBB | CAN | 117.8° | 124.8° |
| OAE | SBH | NAT | H11 | 18.1° | 4.8° |
| CBB | CBA | CAP | CAY | 2.7° | 0.5° |
| CBA | CBB | CAN | CAL | 0.4° | 0.3° |
| CBA | CBB | CAN | H12 | 179.7° | 179.7° |
| CBB | CBA | CAP | H14 | 177.3° | 179.7° |
| CAP | CBA | CBB | CAN | 0.2° | 0.5° |
| CBA | CAP | CAY | H14 | 180.0° | 179.8° |
| CBA | CAP | CAY | CAL | 4.5° | 0.2° |
| CBA | CAP | CAY | CBG | 179.5° | 179.8° |
| CBB | CAN | CAL | H12 | 180.0° | 180.0° |
| CBB | CAN | CAL | CAY | 1.5° | 0.0° |
| CBB | CAN | CAL | H13 | 178.5° | 180.0° |
| CAP | CAY | CBG | FAK | 33.9° | 60.0° |
| CAP | CAY | CAL | CAN | 3.9° | 0.0° |
| CAP | CAY | CAL | CBG | 176.0° | 180.0° |
| CAP | CAY | CBG | FAI | 158.1° | 180.0° |
| CAP | CAY | CBG | FAJ | 82.4° | 60.0° |
| CAP | CAY | CAL | H13 | 176.1° | 179.9° |
| FAK | CBG | CAY | CAL | 142.0° | 120.0° |
| FAK | CBG | CAY | FAI | 124.2° | 120.0° |
| FAK | CBG | CAY | FAJ | 116.3° | 120.0° |
| FAK | CBG | FAI | FAJ | 114.7° | 120.0° |
| CAN | CAL | CAY | H13 | 180.0° | 180.0° |
| CAN | CAL | CAY | CBG | 179.9° | 180.0° |
| CAL | CAY | CBG | FAI | 17.8° | 0.0° |
| CAL | CAY | CBG | FAJ | 101.8° | 120.0° |
| CAY | CAL | CAN | H12 | 178.5° | 180.0° |
| CAL | CAY | CAP | H14 | 175.5° | 180.0° |
| CAY | CBG | FAI | FAJ | 119.8° | 120.0° |
| CBG | CAY | CAL | H13 | 0.1° | 0.0° |
| CBG | CAY | CAP | H14 | 0.5° | 0.0° |
| H4 | CAO | CAM | H5 | 3.7° | 0.1° |
| H6 | CAA | H7 | H8 | 120.0° | 119.9° |
| H12 | CAN | CAL | H13 | 1.5° | 0.0° |
