7UL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAB | CAZ | doub | 1.22Å | 1.24Å | |
| NAU | CAZ | sing | 1.35Å | 1.37Å | |
| NAU | CBA | sing | 1.34Å | 1.40Å | |
| CAZ | CBB | sing | 1.47Å | 1.37Å | |
| OAC | CBA | doub | 1.22Å | 1.22Å | |
| CBA | NBF | sing | 1.34Å | 1.35Å | |
| CBB | CAL | doub | 1.39Å | 1.41Å | Aromatic |
| CBB | CBC | sing | 1.41Å | 1.41Å | Aromatic |
| CAL | CAH | sing | 1.38Å | 1.39Å | Aromatic |
| NBF | CBC | sing | 1.39Å | 1.36Å | |
| NBF | CAS | sing | 1.47Å | 1.47Å | |
| CBC | CAM | doub | 1.39Å | 1.42Å | Aromatic |
| CAS | CAW | sing | 1.51Å | 1.43Å | |
| CAH | CAI | doub | 1.39Å | 1.40Å | Aromatic |
| CAM | CAI | sing | 1.38Å | 1.38Å | Aromatic |
| CAW | CAN | sing | 1.38Å | 1.42Å | Aromatic |
| CAW | CAJ | doub | 1.38Å | 1.42Å | Aromatic |
| CAN | CAY | doub | 1.40Å | 1.39Å | Aromatic |
| CAT | NBD | sing | 1.47Å | 1.48Å | |
| CAT | CBG | sing | 1.53Å | 1.50Å | |
| CAO | NBD | sing | 1.47Å | 1.47Å | |
| CAO | CAQ | sing | 1.53Å | 1.60Å | |
| CAP | NBD | sing | 1.47Å | 1.50Å | |
| CAP | CAR | sing | 1.53Å | 1.54Å | |
| OAA | CAV | doub | 1.22Å | 1.25Å | |
| CAJ | CAK | sing | 1.38Å | 1.38Å | Aromatic |
| CAY | CAV | sing | 1.48Å | 1.39Å | |
| CAY | CAX | sing | 1.40Å | 1.40Å | Aromatic |
| CAV | NBE | sing | 1.35Å | 1.36Å | |
| FAE | CBG | sing | 1.40Å | 1.02Å | |
| FAF | CBG | sing | 1.40Å | 1.37Å | |
| CBG | FAG | sing | 1.40Å | 1.17Å | |
| NBE | CAQ | sing | 1.47Å | 1.47Å | |
| NBE | CAR | sing | 1.47Å | 1.50Å | |
| CAK | CAX | doub | 1.38Å | 1.40Å | Aromatic |
| CAX | FAD | sing | 1.35Å | 1.38Å | |
| NAU | H1 | sing | 0.97Å | 1.00Å | |
| CAL | H2 | sing | 1.08Å | 1.08Å | |
| CAH | H3 | sing | 1.08Å | 1.08Å | |
| CAI | H4 | sing | 1.08Å | 1.08Å | |
| CAM | H5 | sing | 1.08Å | 1.08Å | |
| CAS | H6 | sing | 1.09Å | 1.10Å | |
| CAS | H7 | sing | 1.09Å | 1.10Å | |
| CAN | H8 | sing | 1.08Å | 1.08Å | |
| CAJ | H9 | sing | 1.08Å | 1.08Å | |
| CAK | H10 | sing | 1.08Å | 1.08Å | |
| CAR | H11 | sing | 1.09Å | 1.10Å | |
| CAR | H12 | sing | 1.09Å | 1.10Å | |
| CAP | H13 | sing | 1.09Å | 1.10Å | |
| CAP | H14 | sing | 1.09Å | 1.10Å | |
| CAQ | H15 | sing | 1.09Å | 1.10Å | |
| CAQ | H16 | sing | 1.09Å | 1.10Å | |
| CAO | H17 | sing | 1.09Å | 1.10Å | |
| CAO | H18 | sing | 1.09Å | 1.10Å | |
| CAT | H20 | sing | 1.09Å | 1.10Å | |
| CAT | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAB | CAZ | NAU | 116.7° | 120.8° |
| OAB | CAZ | CBB | 124.9° | 120.8° |
| CAZ | NAU | CBA | 120.1° | 121.3° |
| NAU | CAZ | CBB | 118.4° | 118.3° |
| CAZ | NAU | H1 | 119.9° | 119.4° |
| NAU | CBA | OAC | 116.9° | 118.6° |
| NAU | CBA | NBF | 121.3° | 122.8° |
| CBA | NAU | H1 | 120.0° | 119.3° |
| CAZ | CBB | CAL | 119.5° | 121.8° |
| CAZ | CBB | CBC | 120.8° | 118.2° |
| OAC | CBA | NBF | 121.7° | 118.5° |
| CBA | NBF | CBC | 119.4° | 120.6° |
| CBA | NBF | CAS | 117.9° | 119.7° |
| CAL | CBB | CBC | 119.7° | 120.0° |
| CBB | CAL | CAH | 120.9° | 119.5° |
| CBB | CAL | H2 | 119.6° | 120.3° |
| CBB | CBC | NBF | 119.9° | 118.8° |
| CBB | CBC | CAM | 119.4° | 119.7° |
| CAL | CAH | CAI | 118.5° | 120.4° |
| CAH | CAL | H2 | 119.5° | 120.2° |
| CAL | CAH | H3 | 120.7° | 119.8° |
| CBC | NBF | CAS | 122.7° | 119.7° |
| NBF | CBC | CAM | 120.7° | 121.6° |
| NBF | CAS | CAW | 113.1° | 109.5° |
| NBF | CAS | H6 | 108.6° | 109.5° |
| NBF | CAS | H7 | 108.6° | 109.5° |
| CBC | CAM | CAI | 119.1° | 119.7° |
| CBC | CAM | H5 | 120.5° | 120.1° |
| CAS | CAW | CAN | 122.2° | 119.9° |
| CAS | CAW | CAJ | 118.1° | 119.9° |
| CAW | CAS | H6 | 108.5° | 109.5° |
| CAW | CAS | H7 | 108.5° | 109.5° |
| CAH | CAI | CAM | 122.3° | 120.7° |
| CAI | CAH | H3 | 120.8° | 119.8° |
| CAH | CAI | H4 | 118.8° | 119.7° |
| CAM | CAI | H4 | 118.8° | 119.6° |
| CAI | CAM | H5 | 120.4° | 120.1° |
| CAN | CAW | CAJ | 119.7° | 120.3° |
| CAW | CAN | CAY | 121.2° | 119.9° |
| CAW | CAN | H8 | 119.4° | 120.1° |
| CAW | CAJ | CAK | 118.0° | 120.3° |
| CAW | CAJ | H9 | 121.0° | 119.9° |
| CAN | CAY | CAV | 119.9° | 120.1° |
| CAN | CAY | CAX | 118.7° | 119.7° |
| CAY | CAN | H8 | 119.4° | 120.1° |
| NBD | CAT | CBG | 113.6° | 109.5° |
| CAT | NBD | CAO | 113.6° | 111.1° |
| CAT | NBD | CAP | 115.7° | 111.0° |
| NBD | CAT | H20 | 108.4° | 109.5° |
| NBD | CAT | H21 | 108.4° | 109.4° |
| CAT | CBG | FAE | 100.6° | 109.5° |
| CAT | CBG | FAF | 112.2° | 109.5° |
| CAT | CBG | FAG | 114.4° | 109.5° |
| CBG | CAT | H20 | 108.4° | 109.5° |
| CBG | CAT | H21 | 108.4° | 109.5° |
| NBD | CAO | CAQ | 106.7° | 109.3° |
| CAO | NBD | CAP | 106.7° | 111.5° |
| NBD | CAO | H17 | 110.1° | 109.5° |
| NBD | CAO | H18 | 110.1° | 109.5° |
| CAO | CAQ | NBE | 105.5° | 108.5° |
| CAO | CAQ | H15 | 110.4° | 109.7° |
| CAO | CAQ | H16 | 110.5° | 109.8° |
| CAQ | CAO | H17 | 110.2° | 109.8° |
| CAQ | CAO | H18 | 110.2° | 109.3° |
| NBD | CAP | CAR | 103.9° | 109.4° |
| NBD | CAP | H13 | 110.9° | 109.5° |
| NBD | CAP | H14 | 110.8° | 109.6° |
| CAP | CAR | NBE | 108.7° | 108.5° |
| CAP | CAR | H11 | 109.7° | 109.7° |
| CAP | CAR | H12 | 109.7° | 109.7° |
| CAR | CAP | H13 | 110.8° | 109.4° |
| CAR | CAP | H14 | 110.9° | 109.5° |
| OAA | CAV | CAY | 115.8° | 120.0° |
| OAA | CAV | NBE | 121.5° | 120.0° |
| CAJ | CAK | CAX | 122.0° | 120.1° |
| CAK | CAJ | H9 | 121.0° | 119.8° |
| CAJ | CAK | H10 | 119.0° | 120.0° |
| CAV | CAY | CAX | 121.0° | 120.2° |
| CAY | CAV | NBE | 122.4° | 120.0° |
| CAY | CAX | CAK | 120.4° | 119.8° |
| CAY | CAX | FAD | 120.7° | 120.1° |
| CAV | NBE | CAQ | 116.4° | 120.9° |
| CAV | NBE | CAR | 125.3° | 120.9° |
| FAE | CBG | FAF | 115.3° | 109.5° |
| FAE | CBG | FAG | 110.1° | 109.5° |
| FAF | CBG | FAG | 104.5° | 109.5° |
| CAQ | NBE | CAR | 117.4° | 118.2° |
| NBE | CAQ | H15 | 110.5° | 109.7° |
| NBE | CAQ | H16 | 110.5° | 109.6° |
| NBE | CAR | H11 | 109.7° | 109.7° |
| NBE | CAR | H12 | 109.7° | 109.6° |
| CAK | CAX | FAD | 118.9° | 120.1° |
| CAX | CAK | H10 | 119.0° | 119.9° |
| H6 | CAS | H7 | 109.5° | 109.5° |
| H11 | CAR | H12 | 109.5° | 109.6° |
| H13 | CAP | H14 | 109.5° | 109.5° |
| H15 | CAQ | H16 | 109.5° | 109.6° |
| H17 | CAO | H18 | 109.5° | 109.5° |
| H20 | CAT | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAB | CAZ | NAU | CBB | 178.3° | 180.0° |
| OAB | CAZ | NAU | CBA | 178.4° | 179.9° |
| OAB | CAZ | CBB | CAL | 0.8° | 0.0° |
| OAB | CAZ | CBB | CBC | 179.2° | 180.0° |
| OAB | CAZ | NAU | H1 | 1.6° | 0.0° |
| CAZ | NAU | CBA | H1 | 180.0° | 180.0° |
| CAZ | NAU | CBA | OAC | 176.0° | 180.0° |
| CAZ | NAU | CBA | NBF | 1.9° | 0.3° |
| NAU | CAZ | CBB | CAL | 177.4° | 180.0° |
| NAU | CAZ | CBB | CBC | 2.7° | 0.0° |
| CBA | NAU | CAZ | CBB | 3.3° | 0.0° |
| NAU | CBA | OAC | NBF | 177.9° | 179.7° |
| NAU | CBA | NBF | CBC | 0.1° | 0.5° |
| NAU | CBA | NBF | CAS | 179.5° | 179.7° |
| CAZ | CBB | CAL | CBC | 180.0° | 180.0° |
| CAZ | CBB | CAL | CAH | 179.7° | 180.0° |
| CAZ | CBB | CBC | NBF | 0.7° | 0.2° |
| CAZ | CBB | CBC | CAM | 178.9° | 180.0° |
| CBB | CAZ | NAU | H1 | 176.7° | 180.0° |
| CAZ | CBB | CAL | H2 | 0.3° | 0.0° |
| OAC | CBA | NBF | CBC | 178.0° | 179.8° |
| OAC | CBA | NBF | CAS | 1.7° | 0.0° |
| OAC | CBA | NAU | H1 | 4.0° | 0.1° |
| CBA | NBF | CBC | CBB | 0.8° | 0.5° |
| CBA | NBF | CBC | CAS | 179.6° | 179.8° |
| CBA | NBF | CBC | CAM | 179.6° | 179.7° |
| CBA | NBF | CAS | CAW | 95.2° | 85.8° |
| NBF | CBA | NAU | H1 | 178.1° | 179.7° |
| CBA | NBF | CAS | H6 | 25.3° | 154.2° |
| CBA | NBF | CAS | H7 | 144.3° | 34.2° |
| CBB | CAL | CAH | H2 | 180.0° | 180.0° |
| CAL | CBB | CBC | NBF | 179.4° | 179.8° |
| CAL | CBB | CBC | CAM | 1.0° | 0.0° |
| CBB | CAL | CAH | CAI | 1.8° | 0.1° |
| CBB | CAL | CAH | H3 | 178.2° | 180.0° |
| CBC | CBB | CAL | CAH | 0.3° | 0.0° |
| CBB | CBC | NBF | CAM | 179.6° | 179.8° |
| CBB | CBC | NBF | CAS | 178.8° | 179.8° |
| CBB | CBC | CAM | CAI | 0.8° | 0.0° |
| CBC | CBB | CAL | H2 | 179.7° | 180.0° |
| CBB | CBC | CAM | H5 | 179.2° | 179.9° |
| CAL | CAH | CAI | H3 | 180.0° | 179.9° |
| CAL | CAH | CAI | CAM | 2.1° | 0.1° |
| CAL | CAH | CAI | H4 | 177.9° | 180.0° |
| CBC | NBF | CAS | CAW | 85.2° | 94.0° |
| NBF | CBC | CAM | CAI | 179.6° | 179.8° |
| NBF | CBC | CAM | H5 | 0.4° | 0.2° |
| CBC | NBF | CAS | H6 | 154.3° | 26.1° |
| CBC | NBF | CAS | H7 | 35.4° | 146.0° |
| CAS | NBF | CBC | CAM | 0.7° | 0.1° |
| NBF | CAS | CAW | H6 | 120.5° | 120.0° |
| NBF | CAS | CAW | H7 | 120.6° | 120.0° |
| NBF | CAS | CAW | CAN | 40.0° | 94.7° |
| NBF | CAS | CAW | CAJ | 140.9° | 85.6° |
| NBF | CAS | H6 | H7 | 118.4° | 120.0° |
| CBC | CAM | CAI | CAH | 0.8° | 0.0° |
| CBC | CAM | CAI | H5 | 180.0° | 180.0° |
| CBC | CAM | CAI | H4 | 179.2° | 180.0° |
| CAS | CAW | CAN | CAJ | 179.1° | 179.8° |
| CAS | CAW | CAN | CAY | 177.0° | 180.0° |
| CAS | CAW | CAJ | CAK | 178.6° | 180.0° |
| CAW | CAS | H6 | H7 | 118.3° | 120.0° |
| CAS | CAW | CAN | H8 | 3.0° | 0.0° |
| CAS | CAW | CAJ | H9 | 1.4° | 0.0° |
| CAH | CAI | CAM | H4 | 180.0° | 179.9° |
| CAI | CAH | CAL | H2 | 178.2° | 179.9° |
| CAH | CAI | CAM | H5 | 179.2° | 180.0° |
| CAM | CAI | CAH | H3 | 177.9° | 180.0° |
| CAW | CAN | CAY | H8 | 180.0° | 180.0° |
| CAN | CAW | CAJ | CAK | 0.5° | 0.2° |
| CAW | CAN | CAY | CAV | 176.3° | 180.0° |
| CAW | CAN | CAY | CAX | 2.3° | 0.0° |
| CAN | CAW | CAS | H6 | 80.6° | 25.3° |
| CAN | CAW | CAS | H7 | 160.5° | 145.3° |
| CAN | CAW | CAJ | H9 | 179.5° | 179.7° |
| CAJ | CAW | CAN | CAY | 2.1° | 0.2° |
| CAW | CAJ | CAK | H9 | 180.0° | 180.0° |
| CAW | CAJ | CAK | CAX | 0.9° | 0.0° |
| CAJ | CAW | CAS | H6 | 98.5° | 154.4° |
| CAJ | CAW | CAS | H7 | 20.4° | 34.4° |
| CAJ | CAW | CAN | H8 | 177.9° | 179.8° |
| CAW | CAJ | CAK | H10 | 179.1° | 180.0° |
| CAN | CAY | CAV | OAA | 56.7° | 127.8° |
| CAN | CAY | CAV | CAX | 173.9° | 180.0° |
| CAN | CAY | CAV | NBE | 129.3° | 52.3° |
| CAN | CAY | CAX | CAK | 0.9° | 0.2° |
| CAN | CAY | CAX | FAD | 179.3° | 180.0° |
| NBD | CAT | CBG | H20 | 120.6° | 120.0° |
| NBD | CAT | CBG | H21 | 120.6° | 119.9° |
| CAT | NBD | CAO | CAP | 128.7° | 124.4° |
| CAT | NBD | CAO | CAQ | 158.0° | 172.8° |
| CAT | NBD | CAP | CAR | 159.1° | 172.7° |
| NBD | CAT | CBG | FAE | 149.2° | 177.3° |
| NBD | CAT | CBG | FAF | 87.7° | 57.3° |
| NBD | CAT | CBG | FAG | 31.2° | 62.7° |
| CAT | NBD | CAP | H13 | 40.0° | 67.4° |
| CAT | NBD | CAP | H14 | 81.8° | 52.7° |
| CAT | NBD | CAO | H17 | 82.5° | 52.5° |
| CAT | NBD | CAO | H18 | 38.4° | 67.6° |
| NBD | CAT | H20 | H21 | 118.1° | 119.9° |
| CBG | CAT | NBD | CAO | 143.8° | 157.0° |
| CBG | CAT | NBD | CAP | 92.2° | 78.3° |
| CAT | CBG | FAE | FAF | 121.0° | 120.0° |
| CAT | CBG | FAE | FAG | 121.1° | 120.0° |
| CAT | CBG | FAF | FAG | 124.5° | 120.0° |
| CBG | CAT | H20 | H21 | 118.1° | 120.0° |
| NBD | CAO | CAQ | H17 | 119.5° | 120.1° |
| NBD | CAO | CAQ | H18 | 119.5° | 119.8° |
| CAO | NBD | CAP | CAR | 73.3° | 62.8° |
| NBD | CAO | CAQ | NBE | 58.6° | 53.7° |
| CAO | NBD | CAP | H13 | 167.6° | 57.1° |
| CAO | NBD | CAP | H14 | 45.8° | 177.2° |
| NBD | CAO | CAQ | H15 | 178.0° | 66.0° |
| NBD | CAO | CAQ | H16 | 60.8° | 173.5° |
| NBD | CAO | H17 | H18 | 121.3° | 120.0° |
| CAO | NBD | CAT | H20 | 23.1° | 37.0° |
| CAO | NBD | CAT | H21 | 95.6° | 83.0° |
| CAQ | CAO | NBD | CAP | 73.3° | 62.8° |
| CAO | CAQ | NBE | CAV | 118.3° | 128.8° |
| CAO | CAQ | NBE | H15 | 119.4° | 119.8° |
| CAO | CAQ | NBE | H16 | 119.4° | 119.9° |
| CAO | CAQ | NBE | CAR | 51.5° | 51.5° |
| CAO | CAQ | H15 | H16 | 121.8° | 120.6° |
| CAQ | CAO | H17 | H18 | 121.3° | 120.0° |
| NBD | CAP | CAR | H13 | 119.1° | 119.9° |
| NBD | CAP | CAR | H14 | 119.1° | 120.0° |
| NBD | CAP | CAR | NBE | 60.5° | 53.8° |
| NBD | CAP | CAR | H11 | 59.4° | 173.5° |
| NBD | CAP | CAR | H12 | 179.6° | 66.0° |
| NBD | CAP | H13 | H14 | 122.6° | 120.1° |
| CAP | NBD | CAO | H17 | 46.3° | 177.0° |
| CAP | NBD | CAO | H18 | 167.2° | 56.9° |
| CAP | NBD | CAT | H20 | 147.1° | 161.7° |
| CAP | NBD | CAT | H21 | 28.4° | 41.7° |
| CAP | CAR | NBE | CAV | 113.9° | 128.9° |
| CAP | CAR | NBE | CAQ | 54.9° | 51.4° |
| CAP | CAR | NBE | H11 | 119.9° | 119.7° |
| CAP | CAR | NBE | H12 | 119.9° | 119.8° |
| CAP | CAR | H11 | H12 | 120.4° | 120.6° |
| CAR | CAP | H13 | H14 | 122.6° | 120.0° |
| OAA | CAV | CAY | NBE | 174.0° | 179.9° |
| OAA | CAV | CAY | CAX | 117.1° | 52.2° |
| OAA | CAV | NBE | CAQ | 6.1° | 4.6° |
| OAA | CAV | NBE | CAR | 175.0° | 175.7° |
| CAJ | CAK | CAX | CAY | 0.7° | 0.2° |
| CAJ | CAK | CAX | H10 | 180.0° | 180.0° |
| CAJ | CAK | CAX | FAD | 179.1° | 180.0° |
| CAY | CAV | NBE | CAQ | 179.7° | 175.4° |
| CAY | CAV | NBE | CAR | 11.4° | 4.2° |
| CAV | CAY | CAX | CAK | 174.8° | 179.8° |
| CAV | CAY | CAX | FAD | 5.4° | 0.0° |
| CAV | CAY | CAN | H8 | 3.7° | 0.0° |
| CAX | CAY | CAV | NBE | 56.8° | 127.7° |
| CAY | CAX | CAK | FAD | 179.8° | 179.8° |
| CAX | CAY | CAN | H8 | 177.7° | 180.0° |
| CAY | CAX | CAK | H10 | 179.3° | 179.8° |
| CAV | NBE | CAQ | CAR | 169.8° | 179.7° |
| CAV | NBE | CAR | H11 | 126.2° | 9.1° |
| CAV | NBE | CAR | H12 | 5.9° | 111.3° |
| CAV | NBE | CAQ | H15 | 1.0° | 111.4° |
| CAV | NBE | CAQ | H16 | 122.3° | 8.9° |
| FAE | CBG | FAF | FAG | 121.0° | 120.0° |
| FAE | CBG | CAT | H20 | 28.6° | 62.7° |
| FAE | CBG | CAT | H21 | 90.2° | 57.4° |
| FAF | CBG | CAT | H20 | 151.7° | 177.4° |
| FAF | CBG | CAT | H21 | 33.0° | 62.6° |
| FAG | CBG | CAT | H20 | 89.4° | 57.3° |
| FAG | CBG | CAT | H21 | 151.9° | 177.4° |
| CAQ | NBE | CAR | H11 | 65.0° | 171.2° |
| CAQ | NBE | CAR | H12 | 174.8° | 68.4° |
| NBE | CAQ | H15 | H16 | 121.8° | 120.3° |
| NBE | CAQ | CAO | H17 | 61.0° | 173.8° |
| NBE | CAQ | CAO | H18 | 178.1° | 66.0° |
| NBE | CAR | H11 | H12 | 120.3° | 120.4° |
| NBE | CAR | CAP | H13 | 179.6° | 66.1° |
| NBE | CAR | CAP | H14 | 58.6° | 173.8° |
| CAR | NBE | CAQ | H15 | 170.9° | 68.3° |
| CAR | NBE | CAQ | H16 | 67.9° | 171.4° |
| CAX | CAK | CAJ | H9 | 179.1° | 180.0° |
| FAD | CAX | CAK | H10 | 0.9° | 0.0° |
| H2 | CAL | CAH | H3 | 1.8° | 0.0° |
| H3 | CAH | CAI | H4 | 2.1° | 0.1° |
| H4 | CAI | CAM | H5 | 0.8° | 0.1° |
| H9 | CAJ | CAK | H10 | 0.9° | 0.0° |
| H11 | CAR | CAP | H13 | 59.7° | 53.6° |
| H11 | CAR | CAP | H14 | 178.5° | 66.4° |
| H12 | CAR | CAP | H13 | 60.5° | 174.1° |
| H12 | CAR | CAP | H14 | 61.3° | 54.1° |
| H15 | CAQ | CAO | H17 | 58.4° | 54.1° |
| H15 | CAQ | CAO | H18 | 62.5° | 174.2° |
| H16 | CAQ | CAO | H17 | 179.7° | 66.4° |
| H16 | CAQ | CAO | H18 | 58.7° | 53.7° |
