0MT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAU | doub | 1.22Å | 1.25Å | |
| CAJ | CAP | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAW | sing | 1.40Å | 1.39Å | Aromatic |
| CAU | OAD | sing | 1.35Å | 1.25Å | |
| CAU | CAW | sing | 1.47Å | 1.53Å | |
| CAP | CAZ | sing | 1.39Å | 1.40Å | Aromatic |
| CAW | CAI | doub | 1.40Å | 1.39Å | Aromatic |
| CAG | CAK | doub | 1.38Å | 1.40Å | Aromatic |
| CAG | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAM | CAQ | doub | 1.38Å | 1.39Å | Aromatic |
| CAM | CAY | sing | 1.38Å | 1.40Å | Aromatic |
| CAQ | CBA | sing | 1.38Å | 1.39Å | Aromatic |
| CAK | CAX | sing | 1.39Å | 1.40Å | Aromatic |
| CAF | CAH | doub | 1.38Å | 1.40Å | Aromatic |
| CAZ | NBF | sing | 1.39Å | 1.34Å | |
| CAZ | CAO | doub | 1.39Å | 1.40Å | Aromatic |
| CBE | CAY | sing | 1.51Å | 1.53Å | |
| CBE | NBF | sing | 1.47Å | 1.47Å | |
| CBE | CBD | sing | 1.50Å | 1.53Å | |
| CAY | CAN | doub | 1.38Å | 1.40Å | Aromatic |
| CAI | CAO | sing | 1.38Å | 1.39Å | Aromatic |
| NBF | CAV | sing | 1.35Å | 1.34Å | |
| OAC | NBG | sing | 1.22Å | 1.42Å | |
| CAX | CBB | sing | 1.48Å | 1.39Å | |
| CAX | CAL | doub | 1.39Å | 1.40Å | Aromatic |
| CBA | NBG | sing | 1.48Å | 1.33Å | |
| CBA | CAR | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAL | sing | 1.38Å | 1.40Å | Aromatic |
| CBD | CBB | sing | 1.40Å | 1.38Å | Aromatic |
| CBD | CBC | doub | 1.38Å | 1.38Å | Aromatic |
| NBG | OAE | doub | 1.22Å | 1.41Å | |
| CBB | NAS | doub | 1.32Å | 1.33Å | Aromatic |
| CAV | CBC | sing | 1.47Å | 1.39Å | |
| CAV | OAB | doub | 1.22Å | 1.23Å | |
| CAN | CAR | sing | 1.38Å | 1.39Å | Aromatic |
| CBC | NAT | sing | 1.37Å | 1.33Å | Aromatic |
| NAS | NAT | sing | 1.29Å | 1.24Å | Aromatic |
| CAO | H1 | sing | 1.08Å | 1.08Å | |
| CAI | H2 | sing | 1.08Å | 1.08Å | |
| OAD | H3 | sing | 0.97Å | 0.95Å | |
| CAJ | H4 | sing | 1.08Å | 1.08Å | |
| CAP | H5 | sing | 1.08Å | 1.08Å | |
| NAT | H6 | sing | 0.97Å | 1.00Å | |
| CAK | H7 | sing | 1.08Å | 1.08Å | |
| CAG | H8 | sing | 1.08Å | 1.08Å | |
| CAF | H9 | sing | 1.08Å | 1.08Å | |
| CAH | H10 | sing | 1.08Å | 1.08Å | |
| CAL | H11 | sing | 1.08Å | 1.08Å | |
| CBE | H12 | sing | 1.09Å | 1.10Å | |
| CAM | H13 | sing | 1.08Å | 1.08Å | |
| CAQ | H14 | sing | 1.08Å | 1.08Å | |
| CAR | H15 | sing | 1.08Å | 1.08Å | |
| CAN | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | CAU | OAD | 124.6° | 120.0° |
| OAA | CAU | CAW | 117.7° | 120.0° |
| CAP | CAJ | CAW | 120.0° | 119.9° |
| CAJ | CAP | CAZ | 120.1° | 120.1° |
| CAP | CAJ | H4 | 120.0° | 120.1° |
| CAJ | CAP | H5 | 120.0° | 119.9° |
| CAJ | CAW | CAU | 120.1° | 120.1° |
| CAJ | CAW | CAI | 120.2° | 119.8° |
| CAW | CAJ | H4 | 120.0° | 120.0° |
| OAD | CAU | CAW | 117.7° | 120.0° |
| CAU | OAD | H3 | 109.5° | 117.0° |
| CAU | CAW | CAI | 119.8° | 120.1° |
| CAP | CAZ | NBF | 120.7° | 119.9° |
| CAP | CAZ | CAO | 119.5° | 120.2° |
| CAZ | CAP | H5 | 119.9° | 120.0° |
| CAW | CAI | CAO | 119.8° | 119.9° |
| CAW | CAI | H2 | 120.1° | 120.0° |
| CAK | CAG | CAF | 119.8° | 120.1° |
| CAG | CAK | CAX | 120.3° | 119.9° |
| CAG | CAK | H7 | 119.8° | 120.0° |
| CAK | CAG | H8 | 120.1° | 120.0° |
| CAG | CAF | CAH | 120.0° | 120.3° |
| CAF | CAG | H8 | 120.1° | 120.0° |
| CAG | CAF | H9 | 120.0° | 119.8° |
| CAQ | CAM | CAY | 120.0° | 120.0° |
| CAM | CAQ | CBA | 119.5° | 120.0° |
| CAQ | CAM | H13 | 120.0° | 119.9° |
| CAM | CAQ | H14 | 120.2° | 120.0° |
| CAM | CAY | CBE | 118.8° | 120.0° |
| CAM | CAY | CAN | 120.4° | 120.0° |
| CAY | CAM | H13 | 120.0° | 120.0° |
| CAQ | CBA | NBG | 120.1° | 120.0° |
| CAQ | CBA | CAR | 120.6° | 120.0° |
| CBA | CAQ | H14 | 120.2° | 120.1° |
| CAK | CAX | CBB | 120.1° | 120.2° |
| CAK | CAX | CAL | 119.8° | 119.7° |
| CAX | CAK | H7 | 119.8° | 120.0° |
| CAF | CAH | CAL | 120.1° | 120.1° |
| CAH | CAF | H9 | 120.0° | 119.9° |
| CAF | CAH | H10 | 119.9° | 119.9° |
| NBF | CAZ | CAO | 119.9° | 119.9° |
| CAZ | NBF | CBE | 123.4° | 125.8° |
| CAZ | NBF | CAV | 126.6° | 125.9° |
| CAZ | CAO | CAI | 120.4° | 120.1° |
| CAZ | CAO | H1 | 119.8° | 120.0° |
| CAY | CBE | NBF | 107.9° | 110.1° |
| CAY | CBE | CBD | 113.1° | 110.2° |
| CBE | CAY | CAN | 120.7° | 120.0° |
| CAY | CBE | H12 | 110.9° | 110.1° |
| NBF | CBE | CBD | 101.9° | 106.1° |
| CBE | NBF | CAV | 110.0° | 108.3° |
| NBF | CBE | H12 | 111.8° | 110.2° |
| CBE | CBD | CBB | 147.6° | 147.5° |
| CBE | CBD | CBC | 107.9° | 106.7° |
| CBD | CBE | H12 | 110.9° | 110.1° |
| CAY | CAN | CAR | 119.6° | 120.0° |
| CAY | CAN | H16 | 120.2° | 120.0° |
| CAI | CAO | H1 | 119.8° | 120.0° |
| CAO | CAI | H2 | 120.1° | 120.1° |
| NBF | CAV | CBC | 111.6° | 110.4° |
| NBF | CAV | OAB | 125.2° | 124.8° |
| OAC | NBG | CBA | 119.8° | 120.0° |
| OAC | NBG | OAE | 120.2° | 120.0° |
| CBB | CAX | CAL | 120.2° | 120.1° |
| CAX | CBB | CBD | 124.0° | 126.3° |
| CAX | CBB | NAS | 128.8° | 126.3° |
| CAX | CAL | CAH | 120.0° | 119.9° |
| CAX | CAL | H11 | 120.0° | 120.0° |
| NBG | CBA | CAR | 119.4° | 120.0° |
| CBA | NBG | OAE | 120.0° | 120.0° |
| CBA | CAR | CAN | 119.9° | 120.0° |
| CBA | CAR | H15 | 120.0° | 120.0° |
| CAL | CAH | H10 | 120.0° | 120.0° |
| CAH | CAL | H11 | 120.0° | 120.0° |
| CBB | CBD | CBC | 104.5° | 105.9° |
| CBD | CBB | NAS | 107.2° | 107.4° |
| CBD | CBC | CAV | 108.6° | 108.6° |
| CBD | CBC | NAT | 106.7° | 106.1° |
| CBB | NAS | NAT | 110.5° | 110.7° |
| CBC | CAV | OAB | 123.2° | 124.8° |
| CAV | CBC | NAT | 144.7° | 145.3° |
| CAN | CAR | H15 | 120.1° | 120.0° |
| CAR | CAN | H16 | 120.2° | 120.0° |
| CBC | NAT | NAS | 111.2° | 109.9° |
| CBC | NAT | H6 | 124.4° | 125.1° |
| NAS | NAT | H6 | 124.4° | 125.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAU | CAW | CAJ | 71.5° | 180.0° |
| OAA | CAU | OAD | CAW | 179.9° | 180.0° |
| OAA | CAU | CAW | CAI | 108.5° | 0.0° |
| OAA | CAU | OAD | H3 | 0.0° | 0.0° |
| CAP | CAJ | CAW | H4 | 180.0° | 179.7° |
| CAP | CAJ | CAW | CAU | 179.9° | 180.0° |
| CAJ | CAP | CAZ | H5 | 180.0° | 179.7° |
| CAP | CAJ | CAW | CAI | 0.1° | 0.0° |
| CAJ | CAP | CAZ | NBF | 179.2° | 180.0° |
| CAJ | CAP | CAZ | CAO | 0.9° | 0.6° |
| CAJ | CAW | CAU | OAD | 108.7° | 0.0° |
| CAJ | CAW | CAU | CAI | 180.0° | 180.0° |
| CAW | CAJ | CAP | CAZ | 0.3° | 0.3° |
| CAJ | CAW | CAI | CAO | 0.1° | 0.0° |
| CAJ | CAW | CAI | H2 | 179.9° | 180.0° |
| CAW | CAJ | CAP | H5 | 179.7° | 180.0° |
| OAD | CAU | CAW | CAI | 71.3° | 180.0° |
| CAU | CAW | CAI | CAO | 179.9° | 179.9° |
| CAU | CAW | CAI | H2 | 0.1° | 0.0° |
| CAW | CAU | OAD | H3 | 179.9° | 180.0° |
| CAU | CAW | CAJ | H4 | 0.1° | 0.3° |
| CAP | CAZ | NBF | CAO | 178.3° | 179.5° |
| CAP | CAZ | NBF | CBE | 57.1° | 179.8° |
| CAP | CAZ | CAO | CAI | 1.1° | 0.5° |
| CAP | CAZ | NBF | CAV | 126.2° | 0.0° |
| CAP | CAZ | CAO | H1 | 178.9° | 179.7° |
| CAZ | CAP | CAJ | H4 | 179.7° | 180.0° |
| CAW | CAI | CAO | CAZ | 0.7° | 0.2° |
| CAW | CAI | CAO | H2 | 180.0° | 180.0° |
| CAW | CAI | CAO | H1 | 179.3° | 180.0° |
| CAI | CAW | CAJ | H4 | 179.9° | 179.7° |
| CAK | CAG | CAF | H8 | 180.0° | 179.9° |
| CAG | CAK | CAX | H7 | 180.0° | 180.0° |
| CAK | CAG | CAF | CAH | 0.1° | 0.0° |
| CAG | CAK | CAX | CBB | 179.9° | 180.0° |
| CAG | CAK | CAX | CAL | 0.3° | 0.2° |
| CAK | CAG | CAF | H9 | 179.9° | 180.0° |
| CAF | CAG | CAK | CAX | 0.2° | 0.1° |
| CAG | CAF | CAH | H9 | 180.0° | 180.0° |
| CAG | CAF | CAH | CAL | 0.0° | 0.2° |
| CAF | CAG | CAK | H7 | 179.8° | 180.0° |
| CAG | CAF | CAH | H10 | 179.9° | 180.0° |
| CAQ | CAM | CAY | H13 | 180.0° | 180.0° |
| CAM | CAQ | CBA | H14 | 180.0° | 180.0° |
| CAQ | CAM | CAY | CBE | 179.3° | 180.0° |
| CAQ | CAM | CAY | CAN | 1.0° | 0.3° |
| CAM | CAQ | CBA | NBG | 179.7° | 180.0° |
| CAM | CAQ | CBA | CAR | 0.0° | 0.0° |
| CAY | CAM | CAQ | CBA | 0.5° | 0.0° |
| CAM | CAY | CBE | CAN | 178.3° | 179.7° |
| CAM | CAY | CBE | NBF | 108.0° | 38.3° |
| CAM | CAY | CBE | CBD | 140.1° | 78.4° |
| CAM | CAY | CAN | CAR | 1.0° | 0.5° |
| CAM | CAY | CBE | H12 | 14.7° | 160.0° |
| CAY | CAM | CAQ | H14 | 179.5° | 180.0° |
| CAM | CAY | CAN | H16 | 179.0° | 179.8° |
| CAQ | CBA | NBG | OAC | 60.1° | 179.9° |
| CAQ | CBA | NBG | CAR | 179.6° | 180.0° |
| CAQ | CBA | NBG | OAE | 121.7° | 0.0° |
| CAQ | CBA | CAR | CAN | 0.1° | 0.2° |
| CBA | CAQ | CAM | H13 | 179.5° | 180.0° |
| CAQ | CBA | CAR | H15 | 179.9° | 180.0° |
| CAK | CAX | CBB | CAL | 179.5° | 179.7° |
| CAK | CAX | CAL | CAH | 0.3° | 0.5° |
| CAK | CAX | CBB | CBD | 83.9° | 34.7° |
| CAK | CAX | CBB | NAS | 96.3° | 145.2° |
| CAX | CAK | CAG | H8 | 179.8° | 180.0° |
| CAK | CAX | CAL | H11 | 179.7° | 179.7° |
| CAF | CAH | CAL | CAX | 0.2° | 0.5° |
| CAF | CAH | CAL | H10 | 180.0° | 179.8° |
| CAH | CAF | CAG | H8 | 179.9° | 180.0° |
| CAF | CAH | CAL | H11 | 179.8° | 179.7° |
| CAZ | NBF | CBE | CAY | 57.0° | 60.9° |
| CAZ | NBF | CBE | CAV | 177.2° | 179.8° |
| CAZ | NBF | CBE | CBD | 176.4° | 179.8° |
| NBF | CAZ | CAO | CAI | 179.4° | 180.0° |
| CAZ | NBF | CAV | CBC | 176.9° | 180.0° |
| CAZ | NBF | CAV | OAB | 1.8° | 0.0° |
| NBF | CAZ | CAO | H1 | 0.6° | 0.2° |
| NBF | CAZ | CAP | H5 | 0.8° | 0.3° |
| CAZ | NBF | CBE | H12 | 65.1° | 60.8° |
| CAO | CAZ | NBF | CBE | 121.2° | 0.8° |
| CAZ | CAO | CAI | H1 | 180.0° | 179.8° |
| CAO | CAZ | NBF | CAV | 55.5° | 179.5° |
| CAZ | CAO | CAI | H2 | 179.3° | 179.8° |
| CAO | CAZ | CAP | H5 | 179.1° | 179.8° |
| CAY | CBE | NBF | CBD | 119.3° | 119.3° |
| CAY | CBE | NBF | H12 | 122.2° | 121.6° |
| CAY | CBE | CBD | H12 | 125.3° | 121.6° |
| CAY | CBE | NBF | CAV | 120.1° | 118.9° |
| CAY | CBE | CBD | CBB | 64.7° | 60.8° |
| CAY | CBE | CBD | CBC | 116.7° | 118.8° |
| CBE | CAY | CAN | CAR | 179.2° | 179.8° |
| CBE | CAY | CAM | H13 | 0.7° | 0.0° |
| CBE | CAY | CAN | H16 | 0.8° | 0.1° |
| NBF | CBE | CBD | H12 | 119.1° | 119.2° |
| NBF | CBE | CAY | CAN | 70.3° | 141.5° |
| NBF | CBE | CBD | CBB | 179.7° | 180.0° |
| NBF | CBE | CBD | CBC | 1.1° | 0.4° |
| CBE | NBF | CAV | CBC | 0.2° | 0.2° |
| CBE | NBF | CAV | OAB | 178.9° | 179.7° |
| CBD | CBE | CAY | CAN | 41.6° | 101.8° |
| CBD | CBE | NBF | CAV | 0.8° | 0.4° |
| CBE | CBD | CBB | CAX | 1.0° | 0.4° |
| CBE | CBD | CBB | CBC | 178.6° | 179.6° |
| CBE | CBD | CBB | NAS | 179.2° | 179.6° |
| CBE | CBD | CBC | CAV | 1.1° | 0.2° |
| CBE | CBD | CBC | NAT | 180.0° | 179.7° |
| CAY | CAN | CAR | CBA | 0.4° | 0.4° |
| CAY | CAN | CAR | H16 | 180.0° | 179.8° |
| CAN | CAY | CBE | H12 | 167.0° | 19.7° |
| CAN | CAY | CAM | H13 | 179.0° | 179.7° |
| CAY | CAN | CAR | H15 | 179.6° | 179.8° |
| NBF | CAV | CBC | CBD | 0.6° | 0.0° |
| NBF | CAV | CBC | OAB | 178.7° | 180.0° |
| NBF | CAV | CBC | NAT | 178.9° | 180.0° |
| CAV | NBF | CBE | H12 | 117.7° | 119.5° |
| OAC | NBG | CBA | OAE | 178.2° | 179.9° |
| OAC | NBG | CBA | CAR | 119.6° | 0.1° |
| CBB | CAX | CAL | CAH | 179.8° | 179.7° |
| CAX | CBB | CBD | NAS | 179.8° | 180.0° |
| CAX | CBB | CBD | CBC | 179.6° | 180.0° |
| CAX | CBB | NAS | NAT | 180.0° | 180.0° |
| CBB | CAX | CAK | H7 | 0.2° | 0.0° |
| CBB | CAX | CAL | H11 | 0.2° | 0.0° |
| CAX | CAL | CAH | H11 | 180.0° | 179.8° |
| CAL | CAX | CBB | CBD | 96.5° | 145.0° |
| CAL | CAX | CBB | NAS | 83.3° | 35.0° |
| CAL | CAX | CAK | H7 | 179.7° | 179.8° |
| CAX | CAL | CAH | H10 | 179.8° | 179.7° |
| NBG | CBA | CAR | CAN | 179.7° | 179.8° |
| NBG | CBA | CAQ | H14 | 0.3° | 0.0° |
| NBG | CBA | CAR | H15 | 0.3° | 0.0° |
| CAR | CBA | NBG | OAE | 58.7° | 180.0° |
| CBA | CAR | CAN | H15 | 180.0° | 179.8° |
| CAR | CBA | CAQ | H14 | 179.9° | 180.0° |
| CBA | CAR | CAN | H16 | 179.6° | 179.8° |
| CAL | CAH | CAF | H9 | 180.0° | 179.7° |
| CBB | CBD | CBC | CAV | 179.7° | 180.0° |
| CBB | CBD | CBC | NAT | 0.7° | 0.0° |
| CBD | CBB | NAS | NAT | 0.2° | 0.0° |
| CBB | CBD | CBE | H12 | 60.6° | 60.9° |
| CBC | CBD | CBB | NAS | 0.6° | 0.0° |
| CBD | CBC | CAV | NAT | 178.3° | 180.0° |
| CBD | CBC | CAV | OAB | 178.1° | 180.0° |
| CBD | CBC | NAT | NAS | 0.7° | 0.0° |
| CBD | CBC | NAT | H6 | 179.3° | 180.0° |
| CBC | CBD | CBE | H12 | 118.0° | 119.5° |
| CBB | NAS | NAT | CBC | 0.3° | 0.0° |
| CBB | NAS | NAT | H6 | 179.7° | 180.0° |
| CAV | CBC | NAT | NAS | 179.0° | 180.0° |
| CAV | CBC | NAT | H6 | 1.0° | 0.1° |
| OAB | CAV | CBC | NAT | 0.1° | 0.0° |
| CBC | NAT | NAS | H6 | 180.0° | 180.0° |
| H1 | CAO | CAI | H2 | 0.7° | 0.0° |
| H4 | CAJ | CAP | H5 | 0.3° | 0.3° |
| H7 | CAK | CAG | H8 | 0.2° | 0.0° |
| H8 | CAG | CAF | H9 | 0.1° | 0.0° |
| H9 | CAF | CAH | H10 | 0.1° | 0.0° |
| H10 | CAH | CAL | H11 | 0.2° | 0.1° |
| H13 | CAM | CAQ | H14 | 0.5° | 0.1° |
| H15 | CAR | CAN | H16 | 0.4° | 0.0° |
