6XN
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
FAD | CBI | sing | 1.40Å | 1.29Å | |
CAH | CAG | doub | 1.39Å | 1.39Å | Aromatic |
CAH | NAU | sing | 1.32Å | 1.37Å | Aromatic |
CAG | CAQ | sing | 1.38Å | 1.42Å | Aromatic |
NAU | CBF | doub | 1.32Å | 1.34Å | Aromatic |
FAE | CBI | sing | 1.40Å | 1.40Å | |
CAN | CAL | doub | 1.38Å | 1.40Å | Aromatic |
CAN | CBB | sing | 1.39Å | 1.36Å | Aromatic |
CBI | OAX | sing | 1.43Å | 1.41Å | |
CBI | FAC | sing | 1.40Å | 1.38Å | |
CAL | CBA | sing | 1.38Å | 1.40Å | Aromatic |
CLA | CAZ | sing | 1.74Å | 1.70Å | |
OAX | CBB | sing | 1.36Å | 1.38Å | |
CAQ | CBE | doub | 1.40Å | 1.32Å | Aromatic |
CBB | CAM | doub | 1.39Å | 1.39Å | Aromatic |
CBF | CBE | sing | 1.41Å | 1.34Å | Aromatic |
CBF | NBH | sing | 1.38Å | 1.30Å | Aromatic |
CBA | CAT | sing | 1.51Å | 1.40Å | |
CBA | CAK | doub | 1.38Å | 1.38Å | Aromatic |
CBE | NAV | sing | 1.36Å | 1.36Å | Aromatic |
CAT | NBH | sing | 1.46Å | 1.56Å | |
NBH | CBD | sing | 1.36Å | 1.34Å | Aromatic |
CAZ | CAI | doub | 1.38Å | 1.40Å | Aromatic |
CAZ | CAJ | sing | 1.38Å | 1.37Å | Aromatic |
CAI | CAO | sing | 1.38Å | 1.41Å | Aromatic |
CAM | CAK | sing | 1.38Å | 1.40Å | Aromatic |
NAV | CBD | doub | 1.30Å | 1.31Å | Aromatic |
CAJ | CAP | doub | 1.38Å | 1.41Å | Aromatic |
CBD | CAS | sing | 1.51Å | 1.49Å | |
CAO | CBC | doub | 1.38Å | 1.40Å | Aromatic |
CAP | CBC | sing | 1.38Å | 1.38Å | Aromatic |
CAS | CAR | sing | 1.53Å | 1.54Å | |
CBC | CBG | sing | 1.51Å | 1.44Å | |
OAB | CAY | doub | 1.21Å | 1.22Å | |
CAY | CAR | sing | 1.51Å | 1.51Å | |
CAY | NAW | sing | 1.35Å | 1.33Å | |
NAW | CBG | sing | 1.46Å | 1.50Å | |
CBG | CAA | sing | 1.53Å | 1.55Å | |
CAN | H1 | sing | 1.08Å | 1.08Å | |
CAL | H2 | sing | 1.08Å | 1.08Å | |
CAM | H3 | sing | 1.08Å | 1.08Å | |
CAK | H4 | sing | 1.08Å | 1.08Å | |
CAT | H5 | sing | 1.09Å | 1.10Å | |
CAT | H6 | sing | 1.09Å | 1.10Å | |
CAH | H7 | sing | 1.08Å | 1.08Å | |
CAG | H8 | sing | 1.08Å | 1.08Å | |
CAQ | H9 | sing | 1.08Å | 1.08Å | |
CAS | H10 | sing | 1.09Å | 1.10Å | |
CAS | H11 | sing | 1.09Å | 1.10Å | |
CAR | H12 | sing | 1.09Å | 1.10Å | |
CAR | H13 | sing | 1.09Å | 1.10Å | |
NAW | H14 | sing | 0.97Å | 1.00Å | |
CBG | H15 | sing | 1.09Å | 1.10Å | |
CAA | H16 | sing | 1.09Å | 1.10Å | |
CAA | H17 | sing | 1.09Å | 1.10Å | |
CAA | H18 | sing | 1.09Å | 1.10Å | |
CAO | H19 | sing | 1.08Å | 1.08Å | |
CAI | H20 | sing | 1.08Å | 1.08Å | |
CAJ | H21 | sing | 1.08Å | 1.08Å | |
CAP | H22 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
FAD | CBI | FAE | 110.1° | 109.5° |
FAD | CBI | OAX | 112.6° | 109.5° |
FAD | CBI | FAC | 108.7° | 109.4° |
CAG | CAH | NAU | 120.4° | 121.4° |
CAH | CAG | CAQ | 117.0° | 119.6° |
CAG | CAH | H7 | 119.8° | 119.4° |
CAH | CAG | H8 | 121.5° | 120.2° |
CAH | NAU | CBF | 118.4° | 121.5° |
NAU | CAH | H7 | 119.8° | 119.2° |
CAG | CAQ | CBE | 121.3° | 118.1° |
CAQ | CAG | H8 | 121.5° | 120.2° |
CAG | CAQ | H9 | 119.4° | 120.9° |
NAU | CBF | CBE | 123.4° | 120.4° |
NAU | CBF | NBH | 129.1° | 133.7° |
FAE | CBI | OAX | 106.2° | 109.5° |
FAE | CBI | FAC | 110.6° | 109.4° |
CAL | CAN | CBB | 119.3° | 119.9° |
CAN | CAL | CBA | 120.2° | 120.1° |
CAL | CAN | H1 | 120.4° | 120.1° |
CAN | CAL | H2 | 119.9° | 120.0° |
CAN | CBB | OAX | 118.8° | 120.0° |
CAN | CBB | CAM | 121.1° | 119.9° |
CBB | CAN | H1 | 120.4° | 120.0° |
OAX | CBI | FAC | 108.5° | 109.5° |
CBI | OAX | CBB | 118.6° | 117.0° |
CAL | CBA | CAT | 119.1° | 119.9° |
CAL | CBA | CAK | 120.2° | 120.1° |
CBA | CAL | H2 | 119.9° | 120.0° |
CLA | CAZ | CAI | 120.0° | 120.0° |
CLA | CAZ | CAJ | 120.4° | 120.1° |
OAX | CBB | CAM | 119.9° | 120.0° |
CAQ | CBE | CBF | 119.6° | 119.0° |
CAQ | CBE | NAV | 131.2° | 133.9° |
CBE | CAQ | H9 | 119.3° | 120.9° |
CBB | CAM | CAK | 120.5° | 119.9° |
CBB | CAM | H3 | 119.8° | 120.0° |
CBE | CBF | NBH | 107.5° | 105.9° |
CBF | CBE | NAV | 109.2° | 107.1° |
CBF | NBH | CAT | 123.2° | 126.4° |
CBF | NBH | CBD | 108.0° | 107.4° |
CAT | CBA | CAK | 120.7° | 119.9° |
CBA | CAT | NBH | 110.0° | 109.5° |
CBA | CAT | H5 | 109.4° | 109.5° |
CBA | CAT | H6 | 109.4° | 109.4° |
CBA | CAK | CAM | 118.7° | 120.1° |
CBA | CAK | H4 | 120.6° | 120.0° |
CBE | NAV | CBD | 104.6° | 109.5° |
CAT | NBH | CBD | 128.8° | 126.2° |
NBH | CAT | H5 | 109.4° | 109.5° |
NBH | CAT | H6 | 109.3° | 109.5° |
NBH | CBD | NAV | 110.7° | 110.1° |
NBH | CBD | CAS | 124.0° | 125.0° |
CAI | CAZ | CAJ | 119.4° | 119.9° |
CAZ | CAI | CAO | 117.6° | 120.0° |
CAZ | CAI | H20 | 121.2° | 119.9° |
CAZ | CAJ | CAP | 122.4° | 120.1° |
CAZ | CAJ | H21 | 118.8° | 120.0° |
CAI | CAO | CBC | 123.0° | 120.0° |
CAI | CAO | H19 | 118.5° | 120.0° |
CAO | CAI | H20 | 121.2° | 120.0° |
CAK | CAM | H3 | 119.7° | 120.0° |
CAM | CAK | H4 | 120.7° | 120.0° |
NAV | CBD | CAS | 125.3° | 125.0° |
CAJ | CAP | CBC | 119.7° | 120.0° |
CAP | CAJ | H21 | 118.8° | 120.0° |
CAJ | CAP | H22 | 120.2° | 120.0° |
CBD | CAS | CAR | 112.9° | 109.4° |
CBD | CAS | H10 | 108.6° | 109.5° |
CBD | CAS | H11 | 108.6° | 109.5° |
CAO | CBC | CAP | 117.8° | 120.0° |
CAO | CBC | CBG | 122.8° | 120.0° |
CBC | CAO | H19 | 118.5° | 120.0° |
CAP | CBC | CBG | 119.4° | 120.0° |
CBC | CAP | H22 | 120.2° | 120.0° |
CAS | CAR | CAY | 110.6° | 109.4° |
CAR | CAS | H10 | 108.6° | 109.5° |
CAR | CAS | H11 | 108.6° | 109.5° |
CAS | CAR | H12 | 109.2° | 109.5° |
CAS | CAR | H13 | 109.2° | 109.5° |
CBC | CBG | NAW | 111.7° | 109.5° |
CBC | CBG | CAA | 110.1° | 109.5° |
CBC | CBG | H15 | 109.9° | 109.4° |
OAB | CAY | CAR | 122.0° | 120.0° |
OAB | CAY | NAW | 122.0° | 120.0° |
CAR | CAY | NAW | 115.9° | 120.0° |
CAY | CAR | H12 | 109.2° | 109.5° |
CAY | CAR | H13 | 109.2° | 109.5° |
CAY | NAW | CBG | 120.0° | 120.0° |
CAY | NAW | H14 | 120.0° | 120.0° |
NAW | CBG | CAA | 107.4° | 109.5° |
CBG | NAW | H14 | 120.0° | 120.0° |
NAW | CBG | H15 | 109.1° | 109.5° |
CAA | CBG | H15 | 108.6° | 109.5° |
CBG | CAA | H16 | 109.5° | 109.5° |
CBG | CAA | H17 | 109.5° | 109.5° |
CBG | CAA | H18 | 109.4° | 109.5° |
H5 | CAT | H6 | 109.5° | 109.5° |
H10 | CAS | H11 | 109.5° | 109.5° |
H12 | CAR | H13 | 109.5° | 109.5° |
H16 | CAA | H17 | 109.5° | 109.4° |
H16 | CAA | H18 | 109.5° | 109.4° |
H17 | CAA | H18 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
FAD | CBI | FAE | OAX | 122.2° | 120.0° |
FAD | CBI | FAE | FAC | 120.2° | 120.0° |
FAD | CBI | OAX | FAC | 120.5° | 120.0° |
FAD | CBI | OAX | CBB | 58.8° | 60.0° |
CAG | CAH | NAU | H7 | 180.0° | 180.0° |
CAH | CAG | CAQ | H8 | 180.0° | 180.0° |
CAG | CAH | NAU | CBF | 0.2° | 0.0° |
CAH | CAG | CAQ | CBE | 0.4° | 0.1° |
CAH | CAG | CAQ | H9 | 179.6° | 180.0° |
NAU | CAH | CAG | CAQ | 0.1° | 0.0° |
CAH | NAU | CBF | CBE | 0.5° | 0.0° |
CAH | NAU | CBF | NBH | 179.1° | 180.0° |
NAU | CAH | CAG | H8 | 179.8° | 180.0° |
CAG | CAQ | CBE | H9 | 180.0° | 179.9° |
CAG | CAQ | CBE | CBF | 0.7° | 0.1° |
CAG | CAQ | CBE | NAV | 177.3° | 180.0° |
CAQ | CAG | CAH | H7 | 179.9° | 180.0° |
NAU | CBF | CBE | CAQ | 0.8° | 0.0° |
NAU | CBF | CBE | NBH | 179.7° | 180.0° |
NAU | CBF | CBE | NAV | 178.0° | 180.0° |
NAU | CBF | NBH | CAT | 1.5° | 0.0° |
NAU | CBF | NBH | CBD | 178.1° | 179.7° |
CBF | NAU | CAH | H7 | 179.8° | 180.0° |
FAE | CBI | OAX | FAC | 119.0° | 120.0° |
FAE | CBI | OAX | CBB | 179.4° | 180.0° |
CAL | CAN | CBB | H1 | 180.0° | 179.9° |
CAN | CAL | CBA | H2 | 180.0° | 179.9° |
CAL | CAN | CBB | OAX | 177.0° | 179.9° |
CAL | CAN | CBB | CAM | 3.2° | 0.3° |
CAN | CAL | CBA | CAT | 179.6° | 180.0° |
CAN | CAL | CBA | CAK | 0.5° | 0.2° |
CAN | CBB | OAX | CBI | 74.8° | 0.2° |
CBB | CAN | CAL | CBA | 1.6° | 0.0° |
CAN | CBB | OAX | CAM | 173.9° | 179.8° |
CAN | CBB | CAM | CAK | 3.6° | 0.2° |
CBB | CAN | CAL | H2 | 178.4° | 180.0° |
CAN | CBB | CAM | H3 | 176.3° | 179.7° |
CBI | OAX | CBB | CAM | 111.2° | 180.0° |
FAC | CBI | OAX | CBB | 61.7° | 60.0° |
CAL | CBA | CAT | CAK | 179.9° | 179.7° |
CAL | CBA | CAT | NBH | 85.7° | 90.0° |
CAL | CBA | CAK | CAM | 0.9° | 0.3° |
CBA | CAL | CAN | H1 | 178.4° | 179.9° |
CAL | CBA | CAK | H4 | 179.0° | 179.8° |
CAL | CBA | CAT | H5 | 34.4° | 150.0° |
CAL | CBA | CAT | H6 | 154.3° | 30.0° |
CLA | CAZ | CAI | CAJ | 176.1° | 180.0° |
CLA | CAZ | CAI | CAO | 178.5° | 180.0° |
CLA | CAZ | CAJ | CAP | 179.2° | 179.7° |
CLA | CAZ | CAI | H20 | 1.5° | 0.1° |
CLA | CAZ | CAJ | H21 | 0.7° | 0.0° |
OAX | CBB | CAM | CAK | 177.4° | 180.0° |
OAX | CBB | CAN | H1 | 3.0° | 0.0° |
OAX | CBB | CAM | H3 | 2.6° | 0.1° |
CAQ | CBE | CBF | NAV | 177.3° | 180.0° |
CAQ | CBE | CBF | NBH | 178.9° | 180.0° |
CAQ | CBE | NAV | CBD | 177.8° | 179.7° |
CBE | CAQ | CAG | H8 | 179.6° | 179.9° |
CBB | CAM | CAK | CBA | 2.5° | 0.0° |
CBB | CAM | CAK | H3 | 180.0° | 179.9° |
CAM | CBB | CAN | H1 | 176.9° | 179.8° |
CBB | CAM | CAK | H4 | 177.5° | 180.0° |
CBE | CBF | NBH | CAT | 178.9° | 180.0° |
CBE | CBF | NBH | CBD | 1.6° | 0.3° |
CBF | CBE | NAV | CBD | 1.0° | 0.3° |
CBF | CBE | CAQ | H9 | 179.3° | 180.0° |
CBF | NBH | CAT | CBA | 82.8° | 89.7° |
NBH | CBF | CBE | NAV | 1.6° | 0.0° |
CBF | NBH | CAT | CBD | 179.5° | 179.7° |
CBF | NBH | CBD | NAV | 1.0° | 0.5° |
CBF | NBH | CBD | CAS | 179.0° | 179.7° |
CBF | NBH | CAT | H5 | 37.3° | 150.3° |
CBF | NBH | CAT | H6 | 157.1° | 30.3° |
CBA | CAT | NBH | H5 | 120.1° | 120.0° |
CBA | CAT | NBH | H6 | 120.1° | 120.0° |
CBA | CAT | NBH | CBD | 96.6° | 90.0° |
CAT | CBA | CAK | CAM | 179.2° | 180.0° |
CAT | CBA | CAL | H2 | 0.4° | 0.0° |
CAT | CBA | CAK | H4 | 0.8° | 0.0° |
CBA | CAT | H5 | H6 | 119.8° | 120.0° |
CAK | CBA | CAT | NBH | 94.5° | 89.7° |
CBA | CAK | CAM | H4 | 180.0° | 180.0° |
CAK | CBA | CAL | H2 | 179.5° | 179.7° |
CBA | CAK | CAM | H3 | 177.5° | 180.0° |
CAK | CBA | CAT | H5 | 145.5° | 30.3° |
CAK | CBA | CAT | H6 | 25.6° | 150.3° |
CBE | NAV | CBD | NBH | 0.0° | 0.5° |
CBE | NAV | CBD | CAS | 180.0° | 179.7° |
NAV | CBE | CAQ | H9 | 2.7° | 0.1° |
CAT | NBH | CBD | NAV | 179.5° | 179.8° |
CAT | NBH | CBD | CAS | 0.5° | 0.0° |
NBH | CAT | H5 | H6 | 119.8° | 120.0° |
NBH | CBD | NAV | CAS | 180.0° | 179.8° |
NBH | CBD | CAS | CAR | 159.8° | 90.0° |
CBD | NBH | CAT | H5 | 143.3° | 30.0° |
CBD | NBH | CAT | H6 | 23.4° | 150.0° |
NBH | CBD | CAS | H10 | 39.3° | 150.0° |
NBH | CBD | CAS | H11 | 79.7° | 30.0° |
CAZ | CAI | CAO | H20 | 180.0° | 179.9° |
CAI | CAZ | CAJ | CAP | 4.7° | 0.3° |
CAZ | CAI | CAO | CBC | 0.0° | 0.0° |
CAZ | CAI | CAO | H19 | 180.0° | 180.0° |
CAI | CAZ | CAJ | H21 | 175.4° | 180.0° |
CAJ | CAZ | CAI | CAO | 2.4° | 0.0° |
CAZ | CAJ | CAP | H21 | 180.0° | 179.7° |
CAZ | CAJ | CAP | CBC | 4.4° | 0.5° |
CAJ | CAZ | CAI | H20 | 177.6° | 179.9° |
CAZ | CAJ | CAP | H22 | 175.6° | 180.0° |
CAI | CAO | CBC | H19 | 180.0° | 180.0° |
CAI | CAO | CBC | CAP | 0.3° | 0.2° |
CAI | CAO | CBC | CBG | 179.3° | 180.0° |
NAV | CBD | CAS | CAR | 20.2° | 89.7° |
NAV | CBD | CAS | H10 | 140.7° | 30.2° |
NAV | CBD | CAS | H11 | 100.3° | 150.3° |
CAJ | CAP | CBC | CAO | 1.8° | 0.5° |
CAJ | CAP | CBC | H22 | 180.0° | 179.5° |
CAJ | CAP | CBC | CBG | 177.2° | 179.7° |
CBD | CAS | CAR | H10 | 120.5° | 120.0° |
CBD | CAS | CAR | H11 | 120.5° | 120.0° |
CBD | CAS | CAR | CAY | 74.6° | 180.0° |
CBD | CAS | H10 | H11 | 118.5° | 120.0° |
CBD | CAS | CAR | H12 | 165.2° | 60.0° |
CBD | CAS | CAR | H13 | 45.5° | 60.0° |
CAO | CBC | CAP | CBG | 179.1° | 179.8° |
CAO | CBC | CBG | NAW | 25.6° | 140.0° |
CAO | CBC | CBG | CAA | 93.6° | 100.0° |
CAO | CBC | CBG | H15 | 146.8° | 20.0° |
CBC | CAO | CAI | H20 | 179.9° | 179.9° |
CAO | CBC | CAP | H22 | 178.2° | 180.0° |
CAP | CBC | CBG | NAW | 155.4° | 40.3° |
CAP | CBC | CBG | CAA | 85.4° | 79.8° |
CAP | CBC | CBG | H15 | 34.2° | 160.3° |
CAP | CBC | CAO | H19 | 179.7° | 179.7° |
CBC | CAP | CAJ | H21 | 175.6° | 179.7° |
CAS | CAR | CAY | OAB | 36.6° | 0.0° |
CAS | CAR | CAY | H12 | 120.2° | 120.0° |
CAS | CAR | CAY | H13 | 120.2° | 120.0° |
CAS | CAR | CAY | NAW | 140.8° | 180.0° |
CAR | CAS | H10 | H11 | 118.4° | 120.0° |
CAS | CAR | H12 | H13 | 119.5° | 120.0° |
CBC | CBG | NAW | CAY | 80.7° | 155.0° |
CBC | CBG | NAW | CAA | 120.8° | 120.0° |
CBC | CBG | NAW | H15 | 121.7° | 120.0° |
CBC | CBG | CAA | H15 | 120.4° | 120.0° |
CBC | CBG | NAW | H14 | 99.2° | 25.0° |
CBC | CBG | CAA | H16 | 180.0° | 180.0° |
CBC | CBG | CAA | H17 | 60.0° | 60.0° |
CBC | CBG | CAA | H18 | 60.0° | 60.0° |
CBG | CBC | CAO | H19 | 0.7° | 0.0° |
CBG | CBC | CAP | H22 | 2.8° | 0.2° |
OAB | CAY | CAR | NAW | 177.4° | 180.0° |
OAB | CAY | NAW | CBG | 4.8° | 0.0° |
OAB | CAY | CAR | H12 | 83.6° | 120.0° |
OAB | CAY | CAR | H13 | 156.7° | 120.0° |
OAB | CAY | NAW | H14 | 175.2° | 180.0° |
CAR | CAY | NAW | CBG | 177.8° | 180.0° |
CAY | CAR | CAS | H10 | 45.9° | 60.0° |
CAY | CAR | CAS | H11 | 164.8° | 60.0° |
CAY | CAR | H12 | H13 | 119.5° | 120.0° |
CAR | CAY | NAW | H14 | 2.2° | 0.1° |
CAY | NAW | CBG | H14 | 180.0° | 179.9° |
CAY | NAW | CBG | CAA | 158.5° | 85.0° |
NAW | CAY | CAR | H12 | 99.0° | 60.0° |
NAW | CAY | CAR | H13 | 20.7° | 60.0° |
CAY | NAW | CBG | H15 | 41.0° | 35.0° |
NAW | CBG | CAA | H15 | 117.9° | 120.0° |
NAW | CBG | CAA | H16 | 58.2° | 60.0° |
NAW | CBG | CAA | H17 | 61.8° | 60.0° |
NAW | CBG | CAA | H18 | 178.2° | 180.0° |
CAA | CBG | NAW | H14 | 21.5° | 95.1° |
CBG | CAA | H16 | H17 | 120.0° | 120.0° |
CBG | CAA | H16 | H18 | 120.0° | 120.0° |
CBG | CAA | H17 | H18 | 120.0° | 120.0° |
H1 | CAN | CAL | H2 | 1.6° | 0.1° |
H3 | CAM | CAK | H4 | 2.5° | 0.0° |
H7 | CAH | CAG | H8 | 0.1° | 0.0° |
H8 | CAG | CAQ | H9 | 0.4° | 0.0° |
H10 | CAS | CAR | H12 | 74.3° | 180.0° |
H10 | CAS | CAR | H13 | 166.0° | 60.0° |
H11 | CAS | CAR | H12 | 44.7° | 60.0° |
H11 | CAS | CAR | H13 | 75.0° | 180.0° |
H14 | NAW | CBG | H15 | 139.0° | 144.9° |
H15 | CBG | CAA | H16 | 59.6° | 60.0° |
H15 | CBG | CAA | H17 | 179.6° | 180.0° |
H15 | CBG | CAA | H18 | 60.4° | 60.0° |
H16 | CAA | H17 | H18 | 120.0° | 120.0° |
H19 | CAO | CAI | H20 | 0.1° | 0.1° |
H21 | CAJ | CAP | H22 | 4.4° | 0.3° |