0OQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| FAD | CAZ | sing | 1.40Å | 1.43Å | |
| OAA | CAQ | doub | 1.22Å | 1.23Å | |
| OAB | CAU | doub | 1.22Å | 1.24Å | |
| FAC | CAZ | sing | 1.40Å | 1.29Å | |
| CAZ | CAS | sing | 1.51Å | 1.42Å | |
| CAZ | FAE | sing | 1.40Å | 1.39Å | |
| CAK | CAI | doub | 1.38Å | 1.41Å | Aromatic |
| CAK | CAS | sing | 1.38Å | 1.41Å | Aromatic |
| CAI | CAR | sing | 1.40Å | 1.40Å | Aromatic |
| CAS | CAJ | doub | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAH | sing | 1.38Å | 1.40Å | Aromatic |
| CAH | CAR | doub | 1.40Å | 1.40Å | Aromatic |
| CAQ | CAR | sing | 1.48Å | 1.41Å | |
| CAQ | NAX | sing | 1.35Å | 1.36Å | |
| CAU | CAL | sing | 1.40Å | 1.40Å | |
| CAU | NAY | sing | 1.36Å | 1.36Å | |
| CAL | CAF | doub | 1.36Å | 1.39Å | |
| CAP | NAY | sing | 1.46Å | 1.51Å | |
| CAP | CAV | sing | 1.52Å | 1.54Å | |
| CAN | NAX | sing | 1.47Å | 1.51Å | |
| CAN | CAV | sing | 1.52Å | 1.54Å | |
| NAX | CAO | sing | 1.48Å | 1.50Å | |
| NAY | CAT | sing | 1.35Å | 1.38Å | |
| CAF | CAG | sing | 1.40Å | 1.40Å | |
| CAV | CAM | sing | 1.53Å | 1.55Å | |
| CAT | CAG | doub | 1.36Å | 1.41Å | |
| CAT | CAW | sing | 1.51Å | 1.44Å | |
| CAO | CAW | sing | 1.54Å | 1.56Å | |
| CAW | CAM | sing | 1.52Å | 1.56Å | |
| CAL | H1 | sing | 1.08Å | 1.08Å | |
| CAF | H2 | sing | 1.08Å | 1.08Å | |
| CAG | H3 | sing | 1.08Å | 1.08Å | |
| CAP | H4 | sing | 1.09Å | 1.10Å | |
| CAP | H5 | sing | 1.09Å | 1.10Å | |
| CAV | H6 | sing | 1.09Å | 1.10Å | |
| CAN | H7 | sing | 1.09Å | 1.10Å | |
| CAN | H8 | sing | 1.09Å | 1.10Å | |
| CAM | H9 | sing | 1.09Å | 1.10Å | |
| CAM | H10 | sing | 1.09Å | 1.10Å | |
| CAW | H11 | sing | 1.09Å | 1.10Å | |
| CAO | H12 | sing | 1.09Å | 1.10Å | |
| CAO | H13 | sing | 1.09Å | 1.10Å | |
| CAH | H14 | sing | 1.08Å | 1.08Å | |
| CAJ | H15 | sing | 1.08Å | 1.08Å | |
| CAK | H16 | sing | 1.08Å | 1.08Å | |
| CAI | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| FAD | CAZ | FAC | 108.4° | 109.4° |
| FAD | CAZ | CAS | 108.5° | 109.5° |
| FAD | CAZ | FAE | 108.7° | 109.5° |
| OAA | CAQ | CAR | 117.9° | 120.0° |
| OAA | CAQ | NAX | 120.6° | 120.0° |
| OAB | CAU | CAL | 118.2° | 119.7° |
| OAB | CAU | NAY | 120.6° | 119.7° |
| FAC | CAZ | CAS | 111.8° | 109.5° |
| FAC | CAZ | FAE | 107.3° | 109.5° |
| CAS | CAZ | FAE | 111.9° | 109.5° |
| CAZ | CAS | CAK | 122.7° | 119.9° |
| CAZ | CAS | CAJ | 119.0° | 119.8° |
| CAI | CAK | CAS | 121.8° | 120.1° |
| CAK | CAI | CAR | 119.4° | 119.9° |
| CAI | CAK | H16 | 119.1° | 119.9° |
| CAK | CAI | H17 | 120.3° | 120.1° |
| CAK | CAS | CAJ | 118.3° | 120.3° |
| CAS | CAK | H16 | 119.1° | 119.9° |
| CAI | CAR | CAH | 118.6° | 119.7° |
| CAI | CAR | CAQ | 124.5° | 120.2° |
| CAR | CAI | H17 | 120.3° | 120.1° |
| CAS | CAJ | CAH | 119.7° | 120.1° |
| CAS | CAJ | H15 | 120.2° | 120.0° |
| CAJ | CAH | CAR | 122.2° | 119.8° |
| CAJ | CAH | H14 | 118.9° | 120.1° |
| CAH | CAJ | H15 | 120.1° | 119.9° |
| CAH | CAR | CAQ | 117.0° | 120.1° |
| CAR | CAH | H14 | 118.9° | 120.1° |
| CAR | CAQ | NAX | 121.0° | 120.0° |
| CAQ | NAX | CAN | 119.8° | 120.7° |
| CAQ | NAX | CAO | 123.0° | 121.4° |
| CAL | CAU | NAY | 121.2° | 120.6° |
| CAU | CAL | CAF | 119.6° | 119.1° |
| CAU | CAL | H1 | 120.2° | 120.4° |
| CAU | NAY | CAP | 116.6° | 116.9° |
| CAU | NAY | CAT | 120.6° | 120.0° |
| CAL | CAF | CAG | 118.5° | 118.9° |
| CAF | CAL | H1 | 120.2° | 120.4° |
| CAL | CAF | H2 | 120.8° | 120.6° |
| NAY | CAP | CAV | 113.3° | 112.4° |
| CAP | NAY | CAT | 122.8° | 123.0° |
| NAY | CAP | H4 | 108.5° | 108.9° |
| NAY | CAP | H5 | 108.5° | 108.9° |
| CAP | CAV | CAN | 107.1° | 112.0° |
| CAP | CAV | CAM | 109.1° | 109.9° |
| CAV | CAP | H4 | 108.5° | 108.9° |
| CAV | CAP | H5 | 108.5° | 108.9° |
| CAP | CAV | H6 | 109.8° | 108.1° |
| NAX | CAN | CAV | 112.1° | 110.3° |
| CAN | NAX | CAO | 116.7° | 117.9° |
| NAX | CAN | H7 | 108.8° | 109.3° |
| NAX | CAN | H8 | 108.8° | 109.3° |
| CAN | CAV | CAM | 111.4° | 111.0° |
| CAN | CAV | H6 | 109.7° | 107.6° |
| CAV | CAN | H7 | 108.8° | 109.3° |
| CAV | CAN | H8 | 108.8° | 109.3° |
| NAX | CAO | CAW | 106.1° | 107.8° |
| NAX | CAO | H12 | 110.3° | 110.2° |
| NAX | CAO | H13 | 110.3° | 109.2° |
| NAY | CAT | CAG | 118.7° | 120.4° |
| NAY | CAT | CAW | 123.6° | 122.1° |
| CAF | CAG | CAT | 121.4° | 120.5° |
| CAG | CAF | H2 | 120.7° | 120.5° |
| CAF | CAG | H3 | 119.3° | 119.8° |
| CAV | CAM | CAW | 109.6° | 108.7° |
| CAM | CAV | H6 | 109.6° | 108.1° |
| CAV | CAM | H9 | 109.5° | 109.6° |
| CAV | CAM | H10 | 109.4° | 109.7° |
| CAG | CAT | CAW | 117.7° | 117.4° |
| CAT | CAG | H3 | 119.3° | 119.7° |
| CAT | CAW | CAO | 110.6° | 107.8° |
| CAT | CAW | CAM | 110.2° | 110.0° |
| CAT | CAW | H11 | 110.8° | 110.1° |
| CAO | CAW | CAM | 107.0° | 107.7° |
| CAO | CAW | H11 | 109.0° | 110.8° |
| CAW | CAO | H12 | 110.3° | 109.9° |
| CAW | CAO | H13 | 110.3° | 109.9° |
| CAW | CAM | H9 | 109.4° | 109.9° |
| CAW | CAM | H10 | 109.4° | 109.3° |
| CAM | CAW | H11 | 109.1° | 110.5° |
| H4 | CAP | H5 | 109.5° | 108.8° |
| H7 | CAN | H8 | 109.5° | 109.2° |
| H9 | CAM | H10 | 109.4° | 109.7° |
| H12 | CAO | H13 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| FAD | CAZ | FAC | CAS | 119.6° | 120.0° |
| FAD | CAZ | FAC | FAE | 117.3° | 120.0° |
| FAD | CAZ | CAS | FAE | 120.0° | 120.0° |
| FAD | CAZ | CAS | CAK | 126.7° | 150.0° |
| FAD | CAZ | CAS | CAJ | 51.9° | 30.0° |
| OAA | CAQ | CAR | CAI | 93.3° | 49.3° |
| OAA | CAQ | CAR | CAH | 85.0° | 130.4° |
| OAA | CAQ | CAR | NAX | 172.0° | 179.9° |
| OAA | CAQ | NAX | CAN | 4.7° | 176.1° |
| OAA | CAQ | NAX | CAO | 175.8° | 4.0° |
| OAB | CAU | CAL | NAY | 179.7° | 179.8° |
| OAB | CAU | CAL | CAF | 179.6° | 176.2° |
| OAB | CAU | NAY | CAP | 0.3° | 11.0° |
| OAB | CAU | NAY | CAT | 179.2° | 172.0° |
| OAB | CAU | CAL | H1 | 0.4° | 3.9° |
| FAC | CAZ | CAS | FAE | 120.5° | 120.0° |
| FAC | CAZ | CAS | CAK | 7.2° | 30.1° |
| FAC | CAZ | CAS | CAJ | 171.4° | 150.0° |
| CAZ | CAS | CAK | CAI | 179.6° | 179.8° |
| CAZ | CAS | CAK | CAJ | 178.6° | 180.0° |
| CAZ | CAS | CAJ | CAH | 179.1° | 180.0° |
| CAZ | CAS | CAJ | H15 | 0.9° | 0.0° |
| CAZ | CAS | CAK | H16 | 0.4° | 0.2° |
| FAE | CAZ | CAS | CAK | 113.3° | 90.0° |
| FAE | CAZ | CAS | CAJ | 68.1° | 90.0° |
| CAI | CAK | CAS | H16 | 180.0° | 179.5° |
| CAK | CAI | CAR | H17 | 180.0° | 179.6° |
| CAI | CAK | CAS | CAJ | 1.0° | 0.2° |
| CAK | CAI | CAR | CAH | 0.7° | 0.5° |
| CAK | CAI | CAR | CAQ | 179.1° | 179.8° |
| CAS | CAK | CAI | CAR | 0.4° | 0.5° |
| CAK | CAS | CAJ | CAH | 0.5° | 0.0° |
| CAK | CAS | CAJ | H15 | 179.5° | 180.0° |
| CAS | CAK | CAI | H17 | 179.6° | 180.0° |
| CAI | CAR | CAH | CAJ | 1.3° | 0.3° |
| CAI | CAR | CAH | CAQ | 178.5° | 179.7° |
| CAI | CAR | CAQ | NAX | 94.6° | 130.7° |
| CAI | CAR | CAH | H14 | 178.8° | 179.8° |
| CAR | CAI | CAK | H16 | 179.6° | 180.0° |
| CAS | CAJ | CAH | H15 | 180.0° | 179.9° |
| CAS | CAJ | CAH | CAR | 0.7° | 0.1° |
| CAS | CAJ | CAH | H14 | 179.4° | 179.9° |
| CAJ | CAS | CAK | H16 | 179.0° | 179.8° |
| CAJ | CAH | CAR | H14 | 180.0° | 179.9° |
| CAJ | CAH | CAR | CAQ | 179.7° | 180.0° |
| CAH | CAR | CAQ | NAX | 87.0° | 49.6° |
| CAR | CAH | CAJ | H15 | 179.4° | 180.0° |
| CAH | CAR | CAI | H17 | 179.3° | 179.9° |
| CAR | CAQ | NAX | CAN | 176.5° | 3.8° |
| CAR | CAQ | NAX | CAO | 12.4° | 176.1° |
| CAQ | CAR | CAH | H14 | 0.3° | 0.1° |
| CAQ | CAR | CAI | H17 | 0.9° | 0.2° |
| CAQ | NAX | CAN | CAO | 171.7° | 179.9° |
| CAQ | NAX | CAN | CAV | 122.3° | 129.6° |
| CAQ | NAX | CAO | CAW | 112.8° | 124.4° |
| CAQ | NAX | CAN | H7 | 117.3° | 9.4° |
| CAQ | NAX | CAN | H8 | 1.9° | 110.1° |
| CAQ | NAX | CAO | H12 | 6.7° | 115.7° |
| CAQ | NAX | CAO | H13 | 127.8° | 5.0° |
| CAU | CAL | CAF | H1 | 180.0° | 180.0° |
| CAL | CAU | NAY | CAP | 179.4° | 169.3° |
| CAL | CAU | NAY | CAT | 0.5° | 7.8° |
| CAU | CAL | CAF | CAG | 0.3° | 1.1° |
| CAU | CAL | CAF | H2 | 179.7° | 179.0° |
| NAY | CAU | CAL | CAF | 0.1° | 3.6° |
| CAU | NAY | CAP | CAT | 178.9° | 176.9° |
| CAU | NAY | CAP | CAV | 171.6° | 161.8° |
| CAU | NAY | CAT | CAG | 0.4° | 7.1° |
| CAU | NAY | CAT | CAW | 179.2° | 171.7° |
| NAY | CAU | CAL | H1 | 179.9° | 176.4° |
| CAU | NAY | CAP | H4 | 51.1° | 41.0° |
| CAU | NAY | CAP | H5 | 67.8° | 77.5° |
| CAL | CAF | CAG | H2 | 180.0° | 179.9° |
| CAL | CAF | CAG | CAT | 0.4° | 1.7° |
| CAL | CAF | CAG | H3 | 179.6° | 178.4° |
| NAY | CAP | CAV | H4 | 120.6° | 120.7° |
| NAY | CAP | CAV | H5 | 120.6° | 120.7° |
| NAY | CAP | CAV | CAN | 81.5° | 76.5° |
| NAY | CAP | CAV | CAM | 39.3° | 47.4° |
| CAP | NAY | CAT | CAG | 179.2° | 169.7° |
| CAP | NAY | CAT | CAW | 2.0° | 11.5° |
| NAY | CAP | H4 | H5 | 118.3° | 118.5° |
| NAY | CAP | CAV | H6 | 159.4° | 165.2° |
| CAP | CAV | CAN | NAX | 74.1° | 73.1° |
| CAP | CAV | CAN | CAM | 119.3° | 123.2° |
| CAP | CAV | CAN | H6 | 119.1° | 118.6° |
| CAV | CAP | NAY | CAT | 9.5° | 21.3° |
| CAP | CAV | CAM | H6 | 120.3° | 117.7° |
| CAP | CAV | CAM | CAW | 62.9° | 64.8° |
| CAV | CAP | H4 | H5 | 118.2° | 118.6° |
| CAP | CAV | CAN | H7 | 165.5° | 47.2° |
| CAP | CAV | CAN | H8 | 46.3° | 166.7° |
| CAP | CAV | CAM | H9 | 177.1° | 175.1° |
| CAP | CAV | CAM | H10 | 57.1° | 54.7° |
| NAX | CAN | CAV | H7 | 120.4° | 120.2° |
| NAX | CAN | CAV | H8 | 120.4° | 120.2° |
| NAX | CAN | CAV | CAM | 45.2° | 50.2° |
| CAN | NAX | CAO | CAW | 58.6° | 55.5° |
| NAX | CAN | CAV | H6 | 166.8° | 168.3° |
| NAX | CAN | H7 | H8 | 118.8° | 119.6° |
| CAN | NAX | CAO | H12 | 178.1° | 64.5° |
| CAN | NAX | CAO | H13 | 60.8° | 174.8° |
| CAV | CAN | NAX | CAO | 49.4° | 50.2° |
| CAN | CAV | CAM | H6 | 121.6° | 117.8° |
| CAN | CAV | CAM | CAW | 55.2° | 59.7° |
| CAN | CAV | CAP | H4 | 39.1° | 44.2° |
| CAN | CAV | CAP | H5 | 157.9° | 162.8° |
| CAV | CAN | H7 | H8 | 118.8° | 119.6° |
| CAN | CAV | CAM | H9 | 64.9° | 60.4° |
| CAN | CAV | CAM | H10 | 175.2° | 179.1° |
| NAX | CAO | CAW | CAT | 55.4° | 58.3° |
| NAX | CAO | CAW | H12 | 119.5° | 120.1° |
| NAX | CAO | CAW | H13 | 119.5° | 118.9° |
| NAX | CAO | CAW | CAM | 64.6° | 60.3° |
| CAO | NAX | CAN | H7 | 71.0° | 170.5° |
| CAO | NAX | CAN | H8 | 169.8° | 70.0° |
| NAX | CAO | CAW | H11 | 177.4° | 178.8° |
| NAX | CAO | H12 | H13 | 121.6° | 120.3° |
| NAY | CAT | CAG | CAF | 0.0° | 2.4° |
| NAY | CAT | CAG | CAW | 178.8° | 178.9° |
| NAY | CAT | CAW | CAO | 93.2° | 89.8° |
| NAY | CAT | CAW | CAM | 24.9° | 27.3° |
| NAY | CAT | CAG | H3 | 179.9° | 177.5° |
| CAT | NAY | CAP | H4 | 130.1° | 142.0° |
| CAT | NAY | CAP | H5 | 111.0° | 99.5° |
| NAY | CAT | CAW | H11 | 145.7° | 149.3° |
| CAF | CAG | CAT | H3 | 180.0° | 179.9° |
| CAF | CAG | CAT | CAW | 178.8° | 176.5° |
| CAG | CAF | CAL | H1 | 179.7° | 178.9° |
| CAV | CAM | CAW | CAT | 55.0° | 52.7° |
| CAV | CAM | CAW | CAO | 65.4° | 64.5° |
| CAV | CAM | CAW | H9 | 120.0° | 119.9° |
| CAV | CAM | CAW | H10 | 120.0° | 119.7° |
| CAM | CAV | CAP | H4 | 159.8° | 168.1° |
| CAM | CAV | CAP | H5 | 81.3° | 73.3° |
| CAM | CAV | CAN | H7 | 75.2° | 170.4° |
| CAM | CAV | CAN | H8 | 165.6° | 70.1° |
| CAV | CAM | H9 | H10 | 119.9° | 120.4° |
| CAV | CAM | CAW | H11 | 176.8° | 174.4° |
| CAG | CAT | CAW | CAO | 85.5° | 89.1° |
| CAG | CAT | CAW | CAM | 156.4° | 153.8° |
| CAT | CAG | CAF | H2 | 179.6° | 178.3° |
| CAG | CAT | CAW | H11 | 35.5° | 31.9° |
| CAT | CAW | CAO | CAM | 120.0° | 118.6° |
| CAT | CAW | CAO | H11 | 122.1° | 120.5° |
| CAT | CAW | CAM | H11 | 121.8° | 121.7° |
| CAW | CAT | CAG | H3 | 1.2° | 3.7° |
| CAT | CAW | CAM | H9 | 175.0° | 172.6° |
| CAT | CAW | CAM | H10 | 65.1° | 67.0° |
| CAT | CAW | CAO | H12 | 64.1° | 178.4° |
| CAT | CAW | CAO | H13 | 174.8° | 60.6° |
| CAO | CAW | CAM | H11 | 117.8° | 121.1° |
| CAO | CAW | CAM | H9 | 54.7° | 55.5° |
| CAO | CAW | CAM | H10 | 174.6° | 175.9° |
| CAW | CAO | H12 | H13 | 121.5° | 121.0° |
| CAW | CAM | CAV | H6 | 176.8° | 177.5° |
| CAW | CAM | H9 | H10 | 119.9° | 120.2° |
| CAM | CAW | CAO | H12 | 175.9° | 59.8° |
| CAM | CAW | CAO | H13 | 54.8° | 179.2° |
| H1 | CAL | CAF | H2 | 0.3° | 1.0° |
| H2 | CAF | CAG | H3 | 0.4° | 1.5° |
| H4 | CAP | CAV | H6 | 80.0° | 74.1° |
| H5 | CAP | CAV | H6 | 38.8° | 44.5° |
| H6 | CAV | CAN | H7 | 46.4° | 71.4° |
| H6 | CAV | CAN | H8 | 72.8° | 48.1° |
| H6 | CAV | CAM | H9 | 56.8° | 57.4° |
| H6 | CAV | CAM | H10 | 63.2° | 63.0° |
| H9 | CAM | CAW | H11 | 63.2° | 65.6° |
| H10 | CAM | CAW | H11 | 56.8° | 54.8° |
| H11 | CAW | CAO | H12 | 58.0° | 61.1° |
| H11 | CAW | CAO | H13 | 63.1° | 59.9° |
| H14 | CAH | CAJ | H15 | 0.6° | 0.1° |
| H16 | CAK | CAI | H17 | 0.4° | 0.4° |
