1CQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OBA | CAL | sing | 1.36Å | 1.39Å | |
| CAK | CAL | doub | 1.39Å | 1.42Å | Aromatic |
| CAK | CAJ | sing | 1.38Å | 1.42Å | Aromatic |
| OAY | CAQ | sing | 1.36Å | 1.35Å | |
| CAL | CAM | sing | 1.39Å | 1.40Å | Aromatic |
| CAP | CAQ | doub | 1.39Å | 1.32Å | Aromatic |
| CAP | CAO | sing | 1.38Å | 1.43Å | Aromatic |
| CAQ | CAR | sing | 1.39Å | 1.41Å | Aromatic |
| CAO | CAF | doub | 1.39Å | 1.37Å | Aromatic |
| CAJ | CAI | doub | 1.39Å | 1.40Å | Aromatic |
| CAM | CAN | doub | 1.38Å | 1.40Å | Aromatic |
| CAR | CAS | doub | 1.38Å | 1.44Å | Aromatic |
| CAF | CAS | sing | 1.39Å | 1.41Å | Aromatic |
| CAF | CAB | sing | 1.48Å | 1.39Å | |
| CAI | CAN | sing | 1.39Å | 1.40Å | Aromatic |
| CAI | NAH | sing | 1.40Å | 1.30Å | |
| CAB | CAC | doub | 1.39Å | 1.37Å | Aromatic |
| CAB | CAA | sing | 1.41Å | 1.40Å | Aromatic |
| CAT | CAG | doub | 1.40Å | 1.42Å | Aromatic |
| CAT | CAU | sing | 1.38Å | 1.40Å | Aromatic |
| CAG | CAC | sing | 1.48Å | 1.40Å | |
| CAG | CAX | sing | 1.40Å | 1.41Å | Aromatic |
| CAU | CAV | doub | 1.39Å | 1.42Å | Aromatic |
| CAC | NAD | sing | 1.36Å | 1.41Å | Aromatic |
| CAA | NAH | sing | 1.40Å | 1.36Å | |
| CAA | NAE | doub | 1.31Å | 1.37Å | Aromatic |
| CAV | CAW | sing | 1.39Å | 1.43Å | Aromatic |
| CAV | OAZ | sing | 1.36Å | 1.40Å | |
| CAX | CAW | doub | 1.38Å | 1.40Å | Aromatic |
| NAD | NAE | sing | 1.40Å | 1.33Å | Aromatic |
| CAO | H1 | sing | 1.08Å | 1.08Å | |
| CAP | H2 | sing | 1.08Å | 1.08Å | |
| OAY | H3 | sing | 0.97Å | 0.95Å | |
| CAR | H4 | sing | 1.08Å | 1.08Å | |
| CAS | H5 | sing | 1.08Å | 1.08Å | |
| CAT | H6 | sing | 1.08Å | 1.08Å | |
| CAU | H7 | sing | 1.08Å | 1.08Å | |
| OAZ | H8 | sing | 0.97Å | 0.95Å | |
| CAW | H9 | sing | 1.08Å | 1.08Å | |
| CAX | H10 | sing | 1.08Å | 1.08Å | |
| NAD | H11 | sing | 0.97Å | 1.00Å | |
| NAH | H12 | sing | 0.97Å | 1.00Å | |
| CAJ | H13 | sing | 1.08Å | 1.08Å | |
| CAK | H14 | sing | 1.08Å | 1.08Å | |
| OBA | H15 | sing | 0.97Å | 0.95Å | |
| CAM | H16 | sing | 1.08Å | 1.08Å | |
| CAN | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OBA | CAL | CAK | 122.5° | 120.0° |
| OBA | CAL | CAM | 118.7° | 120.0° |
| CAL | OBA | H15 | 109.5° | 114.0° |
| CAL | CAK | CAJ | 121.0° | 120.0° |
| CAK | CAL | CAM | 118.8° | 120.1° |
| CAL | CAK | H14 | 119.5° | 120.1° |
| CAK | CAJ | CAI | 118.9° | 119.9° |
| CAK | CAJ | H13 | 120.6° | 120.0° |
| CAJ | CAK | H14 | 119.5° | 119.9° |
| OAY | CAQ | CAP | 118.2° | 120.0° |
| OAY | CAQ | CAR | 125.2° | 119.9° |
| CAQ | OAY | H3 | 109.5° | 114.0° |
| CAL | CAM | CAN | 119.8° | 120.0° |
| CAL | CAM | H16 | 120.1° | 120.0° |
| CAQ | CAP | CAO | 121.8° | 120.1° |
| CAP | CAQ | CAR | 116.2° | 120.1° |
| CAQ | CAP | H2 | 119.1° | 120.0° |
| CAP | CAO | CAF | 124.9° | 119.9° |
| CAP | CAO | H1 | 117.6° | 120.0° |
| CAO | CAP | H2 | 119.1° | 119.9° |
| CAQ | CAR | CAS | 122.1° | 120.1° |
| CAQ | CAR | H4 | 118.9° | 120.0° |
| CAO | CAF | CAS | 113.7° | 119.9° |
| CAO | CAF | CAB | 122.0° | 120.1° |
| CAF | CAO | H1 | 117.5° | 120.0° |
| CAJ | CAI | CAN | 119.9° | 120.0° |
| CAJ | CAI | NAH | 122.8° | 120.0° |
| CAI | CAJ | H13 | 120.6° | 120.0° |
| CAM | CAN | CAI | 121.5° | 119.9° |
| CAN | CAM | H16 | 120.1° | 120.0° |
| CAM | CAN | H17 | 119.3° | 120.0° |
| CAR | CAS | CAF | 121.1° | 119.9° |
| CAS | CAR | H4 | 118.9° | 120.0° |
| CAR | CAS | H5 | 119.4° | 120.0° |
| CAS | CAF | CAB | 124.3° | 120.0° |
| CAF | CAS | H5 | 119.4° | 120.1° |
| CAF | CAB | CAC | 130.8° | 126.4° |
| CAF | CAB | CAA | 122.7° | 126.4° |
| CAN | CAI | NAH | 117.2° | 120.0° |
| CAI | CAN | H17 | 119.2° | 120.0° |
| CAI | NAH | CAA | 123.1° | 120.0° |
| CAI | NAH | H12 | 118.4° | 120.0° |
| CAC | CAB | CAA | 106.1° | 107.2° |
| CAB | CAC | CAG | 137.9° | 126.5° |
| CAB | CAC | NAD | 104.5° | 107.1° |
| CAB | CAA | NAH | 130.7° | 125.8° |
| CAB | CAA | NAE | 111.9° | 108.5° |
| CAG | CAT | CAU | 123.2° | 120.0° |
| CAT | CAG | CAC | 120.1° | 120.1° |
| CAT | CAG | CAX | 118.0° | 119.8° |
| CAG | CAT | H6 | 118.4° | 120.0° |
| CAT | CAU | CAV | 118.6° | 120.1° |
| CAU | CAT | H6 | 118.4° | 120.0° |
| CAT | CAU | H7 | 120.7° | 120.0° |
| CAC | CAG | CAX | 120.2° | 120.1° |
| CAG | CAC | NAD | 115.8° | 126.5° |
| CAG | CAX | CAW | 119.7° | 119.9° |
| CAG | CAX | H10 | 120.1° | 120.0° |
| CAU | CAV | CAW | 118.3° | 120.2° |
| CAU | CAV | OAZ | 117.6° | 119.9° |
| CAV | CAU | H7 | 120.7° | 119.9° |
| CAC | NAD | NAE | 113.3° | 108.2° |
| CAC | NAD | H11 | 123.3° | 125.9° |
| NAH | CAA | NAE | 117.1° | 125.8° |
| CAA | NAH | H12 | 118.4° | 120.0° |
| CAA | NAE | NAD | 103.3° | 109.0° |
| CAW | CAV | OAZ | 124.0° | 120.0° |
| CAV | CAW | CAX | 121.9° | 120.1° |
| CAV | CAW | H9 | 119.1° | 119.9° |
| CAV | OAZ | H8 | 109.5° | 114.0° |
| CAX | CAW | H9 | 119.0° | 120.0° |
| CAW | CAX | H10 | 120.2° | 120.0° |
| NAE | NAD | H11 | 123.4° | 125.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OBA | CAL | CAK | CAM | 179.8° | 180.0° |
| OBA | CAL | CAK | CAJ | 179.1° | 180.0° |
| OBA | CAL | CAM | CAN | 179.6° | 179.9° |
| OBA | CAL | CAK | H14 | 0.9° | 0.0° |
| OBA | CAL | CAM | H16 | 0.4° | 0.0° |
| CAL | CAK | CAJ | H14 | 180.0° | 180.0° |
| CAL | CAK | CAJ | CAI | 1.8° | 0.0° |
| CAK | CAL | CAM | CAN | 0.2° | 0.1° |
| CAL | CAK | CAJ | H13 | 178.2° | 180.0° |
| CAK | CAL | OBA | H15 | 180.0° | 90.0° |
| CAK | CAL | CAM | H16 | 179.8° | 180.0° |
| CAJ | CAK | CAL | CAM | 0.7° | 0.0° |
| CAK | CAJ | CAI | H13 | 180.0° | 180.0° |
| CAK | CAJ | CAI | CAN | 2.3° | 0.1° |
| CAK | CAJ | CAI | NAH | 178.1° | 179.7° |
| OAY | CAQ | CAP | CAR | 173.2° | 179.9° |
| OAY | CAQ | CAP | CAO | 176.0° | 180.0° |
| OAY | CAQ | CAR | CAS | 173.7° | 180.0° |
| OAY | CAQ | CAP | H2 | 4.0° | 0.0° |
| OAY | CAQ | CAR | H4 | 6.3° | 0.0° |
| CAL | CAM | CAN | H16 | 180.0° | 179.9° |
| CAL | CAM | CAN | CAI | 0.8° | 0.1° |
| CAM | CAL | CAK | H14 | 179.3° | 180.0° |
| CAM | CAL | OBA | H15 | 0.2° | 90.0° |
| CAL | CAM | CAN | H17 | 179.2° | 179.8° |
| CAQ | CAP | CAO | H2 | 180.0° | 179.9° |
| CAQ | CAP | CAO | CAF | 2.9° | 0.0° |
| CAP | CAQ | CAR | CAS | 1.1° | 0.0° |
| CAQ | CAP | CAO | H1 | 177.1° | 179.7° |
| CAP | CAQ | OAY | H3 | 180.0° | 89.9° |
| CAP | CAQ | CAR | H4 | 178.9° | 180.0° |
| CAO | CAP | CAQ | CAR | 2.8° | 0.0° |
| CAP | CAO | CAF | H1 | 180.0° | 179.7° |
| CAP | CAO | CAF | CAS | 0.8° | 0.0° |
| CAP | CAO | CAF | CAB | 177.6° | 179.8° |
| CAQ | CAR | CAS | H4 | 180.0° | 180.0° |
| CAQ | CAR | CAS | CAF | 0.9° | 0.0° |
| CAR | CAQ | CAP | H2 | 177.2° | 179.9° |
| CAR | CAQ | OAY | H3 | 7.5° | 90.0° |
| CAQ | CAR | CAS | H5 | 179.2° | 180.0° |
| CAO | CAF | CAS | CAR | 0.9° | 0.0° |
| CAO | CAF | CAS | CAB | 178.4° | 179.7° |
| CAO | CAF | CAB | CAC | 46.5° | 115.0° |
| CAO | CAF | CAB | CAA | 125.0° | 65.3° |
| CAF | CAO | CAP | H2 | 177.1° | 179.9° |
| CAO | CAF | CAS | H5 | 179.1° | 180.0° |
| CAJ | CAI | CAN | CAM | 1.9° | 0.1° |
| CAJ | CAI | CAN | NAH | 179.6° | 179.8° |
| CAJ | CAI | NAH | CAA | 4.6° | 29.3° |
| CAJ | CAI | NAH | H12 | 175.4° | 150.7° |
| CAI | CAJ | CAK | H14 | 178.2° | 180.0° |
| CAJ | CAI | CAN | H17 | 178.1° | 179.7° |
| CAM | CAN | CAI | H17 | 180.0° | 179.7° |
| CAM | CAN | CAI | NAH | 178.6° | 179.7° |
| CAR | CAS | CAF | H5 | 180.0° | 180.0° |
| CAR | CAS | CAF | CAB | 179.3° | 179.8° |
| CAS | CAF | CAB | CAC | 135.2° | 65.3° |
| CAS | CAF | CAB | CAA | 53.3° | 114.4° |
| CAS | CAF | CAO | H1 | 179.2° | 179.7° |
| CAF | CAS | CAR | H4 | 179.1° | 180.0° |
| CAF | CAB | CAC | CAA | 172.6° | 179.7° |
| CAF | CAB | CAC | CAG | 16.6° | 0.0° |
| CAF | CAB | CAC | NAD | 179.8° | 180.0° |
| CAF | CAB | CAA | NAH | 8.8° | 0.0° |
| CAF | CAB | CAA | NAE | 177.0° | 179.8° |
| CAB | CAF | CAO | H1 | 2.4° | 0.1° |
| CAB | CAF | CAS | H5 | 0.7° | 0.2° |
| CAN | CAI | NAH | CAA | 175.0° | 151.0° |
| CAN | CAI | NAH | H12 | 5.0° | 29.0° |
| CAN | CAI | CAJ | H13 | 177.7° | 180.0° |
| CAI | CAN | CAM | H16 | 179.2° | 180.0° |
| CAI | NAH | CAA | CAB | 74.3° | 174.5° |
| CAI | NAH | CAA | H12 | 180.0° | 180.0° |
| CAI | NAH | CAA | NAE | 111.7° | 5.7° |
| NAH | CAI | CAJ | H13 | 1.8° | 0.3° |
| NAH | CAI | CAN | H17 | 1.4° | 0.0° |
| CAB | CAC | CAG | CAT | 163.3° | 44.7° |
| CAB | CAC | CAG | NAD | 161.9° | 179.9° |
| CAB | CAC | CAG | CAX | 31.9° | 135.0° |
| CAC | CAB | CAA | NAH | 177.9° | 179.7° |
| CAC | CAB | CAA | NAE | 3.7° | 0.5° |
| CAB | CAC | NAD | NAE | 9.9° | 0.0° |
| CAB | CAC | NAD | H11 | 170.2° | 179.9° |
| CAA | CAB | CAC | CAG | 170.8° | 179.8° |
| CAA | CAB | CAC | NAD | 7.6° | 0.3° |
| CAB | CAA | NAH | NAE | 174.0° | 179.8° |
| CAB | CAA | NAE | NAD | 2.2° | 0.4° |
| CAB | CAA | NAH | H12 | 105.7° | 5.5° |
| CAG | CAT | CAU | H6 | 180.0° | 179.9° |
| CAT | CAG | CAC | CAX | 164.8° | 179.7° |
| CAG | CAT | CAU | CAV | 4.8° | 0.0° |
| CAT | CAG | CAC | NAD | 34.9° | 135.3° |
| CAT | CAG | CAX | CAW | 5.2° | 0.6° |
| CAG | CAT | CAU | H7 | 175.2° | 180.0° |
| CAT | CAG | CAX | H10 | 174.8° | 179.7° |
| CAU | CAT | CAG | CAC | 171.3° | 180.0° |
| CAU | CAT | CAG | CAX | 6.2° | 0.3° |
| CAT | CAU | CAV | H7 | 180.0° | 180.0° |
| CAT | CAU | CAV | CAW | 2.5° | 0.0° |
| CAT | CAU | CAV | OAZ | 174.6° | 180.0° |
| CAC | CAG | CAX | CAW | 170.3° | 179.8° |
| CAG | CAC | NAD | NAE | 177.4° | 180.0° |
| CAC | CAG | CAT | H6 | 8.7° | 0.1° |
| CAC | CAG | CAX | H10 | 9.7° | 0.0° |
| CAG | CAC | NAD | H11 | 2.6° | 0.1° |
| CAX | CAG | CAC | NAD | 130.0° | 45.0° |
| CAG | CAX | CAW | CAV | 3.2° | 0.5° |
| CAG | CAX | CAW | H10 | 180.0° | 179.8° |
| CAX | CAG | CAT | H6 | 173.8° | 179.8° |
| CAG | CAX | CAW | H9 | 176.8° | 179.8° |
| CAU | CAV | CAW | OAZ | 176.8° | 180.0° |
| CAU | CAV | CAW | CAX | 1.8° | 0.2° |
| CAV | CAU | CAT | H6 | 175.2° | 179.9° |
| CAU | CAV | OAZ | H8 | 180.0° | 90.0° |
| CAU | CAV | CAW | H9 | 178.2° | 180.0° |
| CAC | NAD | NAE | CAA | 7.4° | 0.2° |
| CAC | NAD | NAE | H11 | 180.0° | 179.9° |
| NAH | CAA | NAE | NAD | 172.9° | 179.7° |
| CAA | NAE | NAD | H11 | 172.6° | 179.6° |
| NAE | CAA | NAH | H12 | 68.3° | 174.3° |
| CAV | CAW | CAX | H9 | 180.0° | 179.7° |
| CAW | CAV | CAU | H7 | 177.5° | 180.0° |
| CAW | CAV | OAZ | H8 | 3.1° | 90.0° |
| CAV | CAW | CAX | H10 | 176.8° | 179.7° |
| OAZ | CAV | CAW | CAX | 175.0° | 179.8° |
| OAZ | CAV | CAU | H7 | 5.4° | 0.0° |
| OAZ | CAV | CAW | H9 | 5.0° | 0.0° |
| H1 | CAO | CAP | H2 | 2.9° | 0.2° |
| H4 | CAR | CAS | H5 | 0.8° | 0.0° |
| H6 | CAT | CAU | H7 | 4.8° | 0.1° |
| H9 | CAW | CAX | H10 | 3.3° | 0.0° |
| H13 | CAJ | CAK | H14 | 1.8° | 0.0° |
| H16 | CAM | CAN | H17 | 0.8° | 0.3° |
