UDO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAM | CAO | sing | 1.38Å | 1.39Å | Aromatic |
| CAM | CBA | doub | 1.39Å | 1.39Å | Aromatic |
| CAO | CBB | doub | 1.38Å | 1.39Å | Aromatic |
| CBB | CBF | sing | 1.51Å | 1.39Å | |
| CBB | CAP | sing | 1.38Å | 1.39Å | Aromatic |
| CBF | FAC | sing | 1.40Å | 1.33Å | |
| CBF | FAD | sing | 1.40Å | 1.33Å | |
| CBF | FAB | sing | 1.40Å | 1.33Å | |
| CAP | CAN | doub | 1.38Å | 1.39Å | Aromatic |
| CAN | CBA | sing | 1.39Å | 1.39Å | Aromatic |
| CBA | NBE | sing | 1.40Å | 1.34Å | |
| NBE | CAU | sing | 1.47Å | 1.48Å | |
| NBE | CAT | sing | 1.47Å | 1.47Å | |
| CAU | CAS | sing | 1.53Å | 1.53Å | |
| CAS | NBD | sing | 1.47Å | 1.48Å | |
| CAT | CAR | sing | 1.53Å | 1.52Å | |
| CAR | NBD | sing | 1.47Å | 1.48Å | |
| NBD | CAW | sing | 1.35Å | 1.34Å | |
| CAW | OAA | doub | 1.21Å | 1.22Å | |
| CAW | CBC | sing | 1.51Å | 1.53Å | |
| CBC | CAY | sing | 1.51Å | 1.39Å | |
| CBC | CAZ | sing | 1.51Å | 1.39Å | |
| CAY | CAK | sing | 1.38Å | 1.39Å | Aromatic |
| CAY | CAL | doub | 1.38Å | 1.39Å | Aromatic |
| CAK | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAI | CAX | sing | 1.38Å | 1.39Å | Aromatic |
| CAX | CLA | sing | 1.74Å | 1.72Å | |
| CAX | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAL | sing | 1.38Å | 1.39Å | Aromatic |
| CAZ | CAH | sing | 1.39Å | 1.39Å | Aromatic |
| CAZ | CAQ | doub | 1.38Å | 1.38Å | Aromatic |
| CAH | CAF | doub | 1.39Å | 1.39Å | Aromatic |
| CAF | CAG | sing | 1.38Å | 1.38Å | Aromatic |
| CAG | NAV | doub | 1.32Å | 1.39Å | Aromatic |
| NAV | CAQ | sing | 1.32Å | 1.39Å | Aromatic |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAU | HAU1 | sing | 1.09Å | 1.10Å | |
| CAU | HAU2 | sing | 1.09Å | 1.10Å | |
| CAT | HAT1 | sing | 1.09Å | 1.10Å | |
| CAT | HAT2 | sing | 1.09Å | 1.10Å | |
| CAS | HAS1 | sing | 1.09Å | 1.10Å | |
| CAS | HAS2 | sing | 1.09Å | 1.10Å | |
| CAR | HAR1 | sing | 1.09Å | 1.10Å | |
| CAR | HAR2 | sing | 1.09Å | 1.10Å | |
| CBC | HBC | sing | 1.09Å | 1.10Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAQ | HAQ | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAO | CAM | CBA | 120.6° | 119.9° |
| CAM | CAO | CBB | 120.3° | 120.0° |
| CAO | CAM | HAM | 119.7° | 120.0° |
| CAM | CAO | HAO | 119.8° | 120.0° |
| CAM | CBA | CAN | 119.7° | 119.9° |
| CAM | CBA | NBE | 118.1° | 120.1° |
| CBA | CAM | HAM | 119.7° | 120.0° |
| CAO | CBB | CBF | 120.2° | 119.9° |
| CAO | CBB | CAP | 118.8° | 120.2° |
| CBB | CAO | HAO | 119.8° | 120.0° |
| CBF | CBB | CAP | 121.0° | 119.9° |
| CBB | CBF | FAC | 110.0° | 109.5° |
| CBB | CBF | FAD | 109.8° | 109.5° |
| CBB | CBF | FAB | 109.1° | 109.5° |
| CBB | CAP | CAN | 121.2° | 120.1° |
| CBB | CAP | HAP | 119.4° | 119.9° |
| FAC | CBF | FAD | 108.7° | 109.4° |
| FAC | CBF | FAB | 109.6° | 109.4° |
| FAD | CBF | FAB | 109.5° | 109.5° |
| CAP | CAN | CBA | 119.4° | 119.9° |
| CAN | CAP | HAP | 119.4° | 120.0° |
| CAP | CAN | HAN | 120.3° | 120.0° |
| CAN | CBA | NBE | 122.2° | 120.0° |
| CBA | CAN | HAN | 120.3° | 120.1° |
| CBA | NBE | CAU | 121.8° | 111.0° |
| CBA | NBE | CAT | 117.6° | 111.0° |
| CAU | NBE | CAT | 120.6° | 111.3° |
| NBE | CAU | CAS | 112.1° | 109.4° |
| NBE | CAU | HAU1 | 108.8° | 109.5° |
| NBE | CAU | HAU2 | 108.8° | 109.5° |
| NBE | CAT | CAR | 109.3° | 109.3° |
| NBE | CAT | HAT1 | 109.5° | 109.5° |
| NBE | CAT | HAT2 | 109.5° | 109.5° |
| CAU | CAS | NBD | 111.5° | 108.5° |
| CAS | CAU | HAU1 | 108.8° | 109.5° |
| CAS | CAU | HAU2 | 108.8° | 109.5° |
| CAU | CAS | HAS1 | 109.0° | 109.6° |
| CAU | CAS | HAS2 | 109.0° | 109.6° |
| CAS | NBD | CAR | 120.5° | 118.3° |
| CAS | NBD | CAW | 122.2° | 120.8° |
| NBD | CAS | HAS1 | 109.0° | 109.7° |
| NBD | CAS | HAS2 | 109.0° | 109.6° |
| CAT | CAR | NBD | 111.3° | 108.5° |
| CAR | CAT | HAT1 | 109.5° | 109.5° |
| CAR | CAT | HAT2 | 109.5° | 109.5° |
| CAT | CAR | HAR1 | 109.0° | 109.6° |
| CAT | CAR | HAR2 | 109.0° | 109.7° |
| CAR | NBD | CAW | 117.3° | 120.9° |
| NBD | CAR | HAR1 | 109.0° | 109.6° |
| NBD | CAR | HAR2 | 109.0° | 109.6° |
| NBD | CAW | OAA | 122.4° | 120.0° |
| NBD | CAW | CBC | 117.9° | 120.0° |
| OAA | CAW | CBC | 119.6° | 120.0° |
| CAW | CBC | CAY | 109.1° | 109.5° |
| CAW | CBC | CAZ | 111.9° | 109.5° |
| CAW | CBC | HBC | 107.0° | 109.5° |
| CAY | CBC | CAZ | 111.1° | 109.4° |
| CBC | CAY | CAK | 118.3° | 120.0° |
| CBC | CAY | CAL | 122.9° | 120.0° |
| CAY | CBC | HBC | 108.7° | 109.5° |
| CBC | CAZ | CAH | 124.3° | 120.4° |
| CBC | CAZ | CAQ | 116.3° | 120.4° |
| CAZ | CBC | HBC | 108.8° | 109.5° |
| CAK | CAY | CAL | 118.9° | 120.1° |
| CAY | CAK | CAI | 120.8° | 120.0° |
| CAY | CAK | HAK | 119.6° | 120.0° |
| CAY | CAL | CAJ | 120.5° | 120.0° |
| CAY | CAL | HAL | 119.7° | 120.0° |
| CAK | CAI | CAX | 120.2° | 120.0° |
| CAI | CAK | HAK | 119.6° | 120.0° |
| CAK | CAI | HAI | 119.9° | 120.0° |
| CAI | CAX | CLA | 119.7° | 120.0° |
| CAI | CAX | CAJ | 119.2° | 120.0° |
| CAX | CAI | HAI | 119.9° | 120.0° |
| CLA | CAX | CAJ | 121.1° | 120.0° |
| CAX | CAJ | CAL | 120.4° | 119.9° |
| CAX | CAJ | HAJ | 119.8° | 120.0° |
| CAJ | CAL | HAL | 119.7° | 120.0° |
| CAL | CAJ | HAJ | 119.8° | 120.0° |
| CAH | CAZ | CAQ | 119.4° | 119.2° |
| CAZ | CAH | CAF | 121.1° | 118.4° |
| CAZ | CAH | HAH | 119.4° | 120.8° |
| CAZ | CAQ | NAV | 119.7° | 120.8° |
| CAZ | CAQ | HAQ | 120.1° | 119.7° |
| CAH | CAF | CAG | 119.6° | 119.1° |
| CAF | CAH | HAH | 119.5° | 120.8° |
| CAH | CAF | HAF | 120.2° | 120.4° |
| CAF | CAG | NAV | 119.5° | 120.8° |
| CAG | CAF | HAF | 120.2° | 120.5° |
| CAF | CAG | HAG | 120.3° | 119.6° |
| CAG | NAV | CAQ | 120.6° | 121.7° |
| NAV | CAG | HAG | 120.3° | 119.6° |
| NAV | CAQ | HAQ | 120.2° | 119.6° |
| HAU1 | CAU | HAU2 | 109.5° | 109.5° |
| HAT1 | CAT | HAT2 | 109.5° | 109.5° |
| HAS1 | CAS | HAS2 | 109.5° | 109.8° |
| HAR1 | CAR | HAR2 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAO | CAM | CBA | HAM | 180.0° | 179.8° |
| CAM | CAO | CBB | HAO | 180.0° | 179.9° |
| CAM | CAO | CBB | CBF | 179.8° | 180.0° |
| CAM | CAO | CBB | CAP | 0.2° | 0.1° |
| CAO | CAM | CBA | CAN | 0.7° | 0.0° |
| CAO | CAM | CBA | NBE | 179.2° | 180.0° |
| CBA | CAM | CAO | CBB | 0.2° | 0.0° |
| CAM | CBA | CAN | CAP | 0.8° | 0.0° |
| CAM | CBA | CAN | NBE | 178.5° | 180.0° |
| CAM | CBA | NBE | CAU | 127.6° | 180.0° |
| CAM | CBA | NBE | CAT | 50.9° | 55.7° |
| CBA | CAM | CAO | HAO | 179.9° | 179.9° |
| CAM | CBA | CAN | HAN | 179.2° | 180.0° |
| CAO | CBB | CBF | CAP | 180.0° | 179.9° |
| CAO | CBB | CBF | FAC | 30.8° | 90.0° |
| CAO | CBB | CBF | FAD | 88.9° | 150.1° |
| CAO | CBB | CBF | FAB | 151.0° | 30.0° |
| CAO | CBB | CAP | CAN | 0.0° | 0.1° |
| CBB | CAO | CAM | HAM | 179.9° | 179.8° |
| CAO | CBB | CAP | HAP | 180.0° | 179.9° |
| CBB | CBF | FAC | FAD | 120.3° | 120.0° |
| CBB | CBF | FAC | FAB | 120.0° | 120.0° |
| CBB | CBF | FAD | FAB | 119.9° | 120.0° |
| CBF | CBB | CAP | CAN | 180.0° | 180.0° |
| CBF | CBB | CAO | HAO | 0.2° | 0.1° |
| CBF | CBB | CAP | HAP | 0.1° | 0.0° |
| CAP | CBB | CBF | FAC | 149.2° | 90.0° |
| CAP | CBB | CBF | FAD | 91.1° | 30.0° |
| CAP | CBB | CBF | FAB | 29.0° | 150.0° |
| CBB | CAP | CAN | HAP | 180.0° | 180.0° |
| CBB | CAP | CAN | CBA | 0.5° | 0.0° |
| CAP | CBB | CAO | HAO | 179.8° | 180.0° |
| CBB | CAP | CAN | HAN | 179.5° | 179.9° |
| FAC | CBF | FAD | FAB | 119.7° | 120.0° |
| CAP | CAN | CBA | HAN | 180.0° | 180.0° |
| CAP | CAN | CBA | NBE | 179.3° | 180.0° |
| CAN | CBA | NBE | CAU | 54.0° | 0.0° |
| CAN | CBA | NBE | CAT | 127.6° | 124.3° |
| CAN | CBA | CAM | HAM | 179.3° | 179.7° |
| CBA | CAN | CAP | HAP | 179.5° | 180.0° |
| CBA | NBE | CAU | CAT | 178.4° | 124.2° |
| CBA | NBE | CAU | CAS | 169.1° | 172.7° |
| CBA | NBE | CAT | CAR | 141.1° | 172.7° |
| NBE | CBA | CAM | HAM | 0.8° | 0.2° |
| NBE | CBA | CAN | HAN | 0.7° | 0.1° |
| CBA | NBE | CAU | HAU1 | 70.6° | 67.3° |
| CBA | NBE | CAU | HAU2 | 48.7° | 52.8° |
| CBA | NBE | CAT | HAT1 | 99.0° | 52.7° |
| CBA | NBE | CAT | HAT2 | 21.1° | 67.3° |
| NBE | CAU | CAS | HAU1 | 120.4° | 120.0° |
| NBE | CAU | CAS | HAU2 | 120.4° | 120.0° |
| NBE | CAU | CAS | NBD | 45.7° | 53.8° |
| CAU | NBE | CAT | CAR | 40.5° | 63.1° |
| NBE | CAU | HAU1 | HAU2 | 118.8° | 120.1° |
| CAU | NBE | CAT | HAT1 | 79.5° | 176.9° |
| CAU | NBE | CAT | HAT2 | 160.5° | 56.9° |
| NBE | CAU | CAS | HAS1 | 166.0° | 173.5° |
| NBE | CAU | CAS | HAS2 | 74.6° | 65.9° |
| CAT | NBE | CAU | CAS | 9.3° | 63.1° |
| NBE | CAT | CAR | HAT1 | 120.0° | 120.0° |
| NBE | CAT | CAR | HAT2 | 120.0° | 120.0° |
| NBE | CAT | CAR | NBD | 53.1° | 53.8° |
| CAT | NBE | CAU | HAU1 | 111.1° | 56.9° |
| CAT | NBE | CAU | HAU2 | 129.7° | 176.9° |
| NBE | CAT | HAT1 | HAT2 | 120.1° | 120.0° |
| NBE | CAT | CAR | HAR1 | 173.4° | 65.9° |
| NBE | CAT | CAR | HAR2 | 67.1° | 173.5° |
| CAU | CAS | NBD | HAS1 | 120.3° | 119.7° |
| CAU | CAS | NBD | HAS2 | 120.3° | 119.7° |
| CAU | CAS | NBD | CAR | 32.5° | 51.2° |
| CAU | CAS | NBD | CAW | 148.0° | 128.8° |
| CAS | CAU | HAU1 | HAU2 | 118.8° | 120.0° |
| CAU | CAS | HAS1 | HAS2 | 119.1° | 120.5° |
| CAS | NBD | CAR | CAT | 17.6° | 51.2° |
| CAS | NBD | CAR | CAW | 179.6° | 180.0° |
| CAS | NBD | CAW | OAA | 180.0° | 0.0° |
| CAS | NBD | CAW | CBC | 0.7° | 180.0° |
| NBD | CAS | CAU | HAU1 | 74.7° | 66.2° |
| NBD | CAS | CAU | HAU2 | 166.0° | 173.8° |
| NBD | CAS | HAS1 | HAS2 | 119.1° | 120.5° |
| CAS | NBD | CAR | HAR1 | 137.9° | 68.5° |
| CAS | NBD | CAR | HAR2 | 102.7° | 170.9° |
| CAT | CAR | NBD | HAR1 | 120.3° | 119.7° |
| CAT | CAR | NBD | HAR2 | 120.3° | 119.8° |
| CAT | CAR | NBD | CAW | 162.0° | 128.8° |
| CAR | CAT | HAT1 | HAT2 | 120.1° | 120.1° |
| CAT | CAR | HAR1 | HAR2 | 119.1° | 120.5° |
| CAR | NBD | CAW | OAA | 0.5° | 180.0° |
| CAR | NBD | CAW | CBC | 179.7° | 0.1° |
| NBD | CAR | CAT | HAT1 | 66.8° | 173.8° |
| NBD | CAR | CAT | HAT2 | 173.1° | 66.1° |
| CAR | NBD | CAS | HAS1 | 152.8° | 170.9° |
| CAR | NBD | CAS | HAS2 | 87.9° | 68.5° |
| NBD | CAR | HAR1 | HAR2 | 119.2° | 120.5° |
| NBD | CAW | OAA | CBC | 179.3° | 179.9° |
| NBD | CAW | CBC | CAY | 144.4° | 180.0° |
| NBD | CAW | CBC | CAZ | 92.2° | 60.0° |
| CAW | NBD | CAS | HAS1 | 27.7° | 9.1° |
| CAW | NBD | CAS | HAS2 | 91.7° | 111.5° |
| CAW | NBD | CAR | HAR1 | 41.7° | 111.5° |
| CAW | NBD | CAR | HAR2 | 77.8° | 9.0° |
| NBD | CAW | CBC | HBC | 26.9° | 60.0° |
| OAA | CAW | CBC | CAY | 36.3° | 0.0° |
| OAA | CAW | CBC | CAZ | 87.1° | 119.9° |
| OAA | CAW | CBC | HBC | 153.8° | 120.0° |
| CAW | CBC | CAY | CAZ | 123.9° | 120.0° |
| CAW | CBC | CAY | HBC | 116.4° | 120.0° |
| CAW | CBC | CAZ | HBC | 118.0° | 120.0° |
| CAW | CBC | CAY | CAK | 83.6° | 125.0° |
| CAW | CBC | CAY | CAL | 94.9° | 54.8° |
| CAW | CBC | CAZ | CAH | 7.6° | 130.4° |
| CAW | CBC | CAZ | CAQ | 171.8° | 49.8° |
| CAY | CBC | CAZ | HBC | 119.7° | 120.0° |
| CBC | CAY | CAK | CAL | 178.5° | 179.7° |
| CBC | CAY | CAK | CAI | 179.5° | 180.0° |
| CBC | CAY | CAL | CAJ | 179.4° | 179.8° |
| CAY | CBC | CAZ | CAH | 114.7° | 109.6° |
| CAY | CBC | CAZ | CAQ | 65.9° | 70.2° |
| CBC | CAY | CAK | HAK | 0.6° | 0.0° |
| CBC | CAY | CAL | HAL | 0.6° | 0.0° |
| CAZ | CBC | CAY | CAK | 152.5° | 115.0° |
| CAZ | CBC | CAY | CAL | 29.0° | 65.2° |
| CBC | CAZ | CAH | CAQ | 179.4° | 179.7° |
| CBC | CAZ | CAH | CAF | 179.7° | 180.0° |
| CBC | CAZ | CAQ | NAV | 179.5° | 179.7° |
| CBC | CAZ | CAH | HAH | 0.3° | 0.0° |
| CBC | CAZ | CAQ | HAQ | 0.5° | 0.0° |
| CAY | CAK | CAI | HAK | 180.0° | 179.9° |
| CAY | CAK | CAI | CAX | 0.7° | 0.0° |
| CAK | CAY | CAL | CAJ | 1.0° | 0.5° |
| CAK | CAY | CBC | HBC | 32.8° | 5.0° |
| CAK | CAY | CAL | HAL | 179.1° | 179.7° |
| CAY | CAK | CAI | HAI | 179.3° | 179.9° |
| CAL | CAY | CAK | CAI | 0.9° | 0.2° |
| CAY | CAL | CAJ | CAX | 0.7° | 0.5° |
| CAY | CAL | CAJ | HAL | 180.0° | 179.8° |
| CAL | CAY | CBC | HBC | 148.7° | 174.8° |
| CAL | CAY | CAK | HAK | 179.1° | 179.7° |
| CAY | CAL | CAJ | HAJ | 179.3° | 179.8° |
| CAK | CAI | CAX | HAI | 180.0° | 179.9° |
| CAK | CAI | CAX | CLA | 179.8° | 180.0° |
| CAK | CAI | CAX | CAJ | 0.4° | 0.0° |
| CAI | CAX | CLA | CAJ | 179.4° | 180.0° |
| CAI | CAX | CAJ | CAL | 0.5° | 0.2° |
| CAX | CAI | CAK | HAK | 179.3° | 180.0° |
| CAI | CAX | CAJ | HAJ | 179.5° | 180.0° |
| CLA | CAX | CAJ | CAL | 179.8° | 179.7° |
| CLA | CAX | CAI | HAI | 0.2° | 0.1° |
| CLA | CAX | CAJ | HAJ | 0.2° | 0.0° |
| CAX | CAJ | CAL | HAJ | 180.0° | 179.7° |
| CAX | CAJ | CAL | HAL | 179.3° | 179.7° |
| CAJ | CAX | CAI | HAI | 179.6° | 179.9° |
| CAZ | CAH | CAF | HAH | 180.0° | 179.9° |
| CAZ | CAH | CAF | CAG | 0.0° | 0.0° |
| CAH | CAZ | CAQ | NAV | 0.1° | 0.6° |
| CAH | CAZ | CBC | HBC | 125.6° | 10.4° |
| CAH | CAZ | CAQ | HAQ | 180.0° | 179.7° |
| CAZ | CAH | CAF | HAF | 180.0° | 180.0° |
| CAQ | CAZ | CAH | CAF | 0.3° | 0.3° |
| CAZ | CAQ | NAV | CAG | 0.4° | 0.6° |
| CAZ | CAQ | NAV | HAQ | 180.0° | 179.7° |
| CAQ | CAZ | CBC | HBC | 53.8° | 169.9° |
| CAQ | CAZ | CAH | HAH | 179.7° | 179.8° |
| CAH | CAF | CAG | HAF | 180.0° | 180.0° |
| CAH | CAF | CAG | NAV | 0.5° | 0.0° |
| CAH | CAF | CAG | HAG | 179.6° | 180.0° |
| CAF | CAG | NAV | HAG | 180.0° | 180.0° |
| CAF | CAG | NAV | CAQ | 0.7° | 0.3° |
| CAG | CAF | CAH | HAH | 180.0° | 180.0° |
| CAG | NAV | CAQ | HAQ | 179.5° | 179.7° |
| NAV | CAG | CAF | HAF | 179.6° | 180.0° |
| CAQ | NAV | CAG | HAG | 179.3° | 179.7° |
| HAM | CAM | CAO | HAO | 0.1° | 0.3° |
| HAP | CAP | CAN | HAN | 0.4° | 0.1° |
| HAU1 | CAU | CAS | HAS1 | 45.6° | 53.5° |
| HAU1 | CAU | CAS | HAS2 | 165.0° | 174.1° |
| HAU2 | CAU | CAS | HAS1 | 73.7° | 66.5° |
| HAU2 | CAU | CAS | HAS2 | 45.7° | 54.1° |
| HAT1 | CAT | CAR | HAR1 | 53.5° | 54.1° |
| HAT1 | CAT | CAR | HAR2 | 172.9° | 66.5° |
| HAT2 | CAT | CAR | HAR1 | 66.6° | 174.2° |
| HAT2 | CAT | CAR | HAR2 | 52.8° | 53.6° |
| HAK | CAK | CAI | HAI | 0.7° | 0.1° |
| HAL | CAL | CAJ | HAJ | 0.7° | 0.0° |
| HAH | CAH | CAF | HAF | 0.0° | 0.1° |
| HAF | CAF | CAG | HAG | 0.4° | 0.0° |
