6YC
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAY | CAX | doub | 1.36Å | 1.39Å | Aromatic |
CAY | CAZ | sing | 1.39Å | 1.39Å | Aromatic |
CAX | CAW | sing | 1.41Å | 1.39Å | Aromatic |
CAZ | CBA | doub | 1.36Å | 1.39Å | Aromatic |
CAW | CAT | doub | 1.41Å | 1.39Å | Aromatic |
CAW | CAV | sing | 1.42Å | 1.39Å | Aromatic |
CBA | CAV | sing | 1.41Å | 1.39Å | Aromatic |
CAT | CAS | sing | 1.36Å | 1.39Å | Aromatic |
CAV | CAU | doub | 1.40Å | 1.39Å | Aromatic |
CAS | CAR | doub | 1.41Å | 1.39Å | Aromatic |
CAU | CAR | sing | 1.38Å | 1.39Å | Aromatic |
CAR | CAB | sing | 1.48Å | 1.39Å | |
CAD | CAE | sing | 1.53Å | 1.54Å | |
CAD | NAC | sing | 1.47Å | 1.49Å | |
OAF | CAE | sing | 1.43Å | 1.44Å | |
OAF | CAG | sing | 1.43Å | 1.43Å | |
CAB | NAC | sing | 1.35Å | 1.35Å | |
CAB | OAA | doub | 1.22Å | 1.23Å | |
NAC | CAH | sing | 1.47Å | 1.47Å | |
CAJ | CAK | sing | 1.53Å | 1.51Å | |
CAJ | CAI | sing | 1.53Å | 1.53Å | |
CAK | CAL | sing | 1.53Å | 1.52Å | |
CAH | CAI | sing | 1.53Å | 1.54Å | |
CAI | CAQ | sing | 1.53Å | 1.51Å | |
CAL | NAM | sing | 1.47Å | 1.47Å | |
CAQ | NAM | sing | 1.47Å | 1.47Å | |
NAM | CAN | sing | 1.47Å | 1.47Å | |
CAN | CAO | sing | 1.47Å | 1.45Å | |
CAO | CAP | trip | 1.17Å | 1.12Å | |
CAU | H1 | sing | 1.08Å | 1.08Å | |
CBA | H2 | sing | 1.08Å | 1.08Å | |
CAZ | H3 | sing | 1.08Å | 1.08Å | |
CAY | H4 | sing | 1.08Å | 1.08Å | |
CAX | H5 | sing | 1.08Å | 1.08Å | |
CAT | H6 | sing | 1.08Å | 1.08Å | |
CAS | H7 | sing | 1.08Å | 1.08Å | |
CAD | H8 | sing | 1.09Å | 1.10Å | |
CAD | H9 | sing | 1.09Å | 1.10Å | |
CAE | H10 | sing | 1.09Å | 1.10Å | |
CAE | H11 | sing | 1.09Å | 1.10Å | |
CAG | H12 | sing | 1.09Å | 1.10Å | |
CAG | H13 | sing | 1.09Å | 1.10Å | |
CAG | H14 | sing | 1.09Å | 1.10Å | |
CAH | H15 | sing | 1.09Å | 1.10Å | |
CAH | H16 | sing | 1.09Å | 1.10Å | |
CAI | H17 | sing | 1.09Å | 1.10Å | |
CAQ | H18 | sing | 1.09Å | 1.10Å | |
CAQ | H19 | sing | 1.09Å | 1.10Å | |
CAJ | H20 | sing | 1.09Å | 1.10Å | |
CAJ | H21 | sing | 1.09Å | 1.10Å | |
CAK | H22 | sing | 1.09Å | 1.10Å | |
CAK | H23 | sing | 1.09Å | 1.10Å | |
CAL | H24 | sing | 1.09Å | 1.10Å | |
CAL | H25 | sing | 1.09Å | 1.10Å | |
CAN | H27 | sing | 1.09Å | 1.10Å | |
CAN | H28 | sing | 1.09Å | 1.10Å | |
CAP | H29 | sing | 1.05Å | 1.06Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAX | CAY | CAZ | 119.8° | 121.0° |
CAY | CAX | CAW | 119.6° | 119.7° |
CAX | CAY | H4 | 120.1° | 119.4° |
CAY | CAX | H5 | 120.2° | 120.2° |
CAY | CAZ | CBA | 120.7° | 121.0° |
CAY | CAZ | H3 | 119.6° | 119.5° |
CAZ | CAY | H4 | 120.1° | 119.5° |
CAX | CAW | CAT | 119.3° | 121.1° |
CAX | CAW | CAV | 120.6° | 119.2° |
CAW | CAX | H5 | 120.2° | 120.1° |
CAZ | CBA | CAV | 119.5° | 119.6° |
CAZ | CBA | H2 | 120.3° | 120.2° |
CBA | CAZ | H3 | 119.6° | 119.5° |
CAT | CAW | CAV | 120.2° | 119.7° |
CAW | CAT | CAS | 119.3° | 120.0° |
CAW | CAT | H6 | 120.3° | 119.9° |
CAW | CAV | CBA | 119.8° | 119.4° |
CAW | CAV | CAU | 120.5° | 119.5° |
CBA | CAV | CAU | 119.8° | 121.1° |
CAV | CBA | H2 | 120.3° | 120.1° |
CAT | CAS | CAR | 121.0° | 120.8° |
CAS | CAT | H6 | 120.3° | 120.1° |
CAT | CAS | H7 | 119.5° | 119.5° |
CAV | CAU | CAR | 119.4° | 119.4° |
CAV | CAU | H1 | 120.3° | 120.3° |
CAS | CAR | CAU | 119.6° | 120.5° |
CAS | CAR | CAB | 116.5° | 119.7° |
CAR | CAS | H7 | 119.4° | 119.7° |
CAU | CAR | CAB | 123.9° | 119.8° |
CAR | CAU | H1 | 120.3° | 120.3° |
CAR | CAB | NAC | 116.1° | 119.9° |
CAR | CAB | OAA | 120.2° | 120.0° |
CAE | CAD | NAC | 110.6° | 109.4° |
CAD | CAE | OAF | 110.7° | 109.5° |
CAE | CAD | H8 | 109.2° | 109.5° |
CAE | CAD | H9 | 109.2° | 109.5° |
CAD | CAE | H10 | 109.2° | 109.4° |
CAD | CAE | H11 | 109.2° | 109.5° |
CAD | NAC | CAB | 123.3° | 120.0° |
CAD | NAC | CAH | 116.1° | 120.0° |
NAC | CAD | H8 | 109.2° | 109.5° |
NAC | CAD | H9 | 109.2° | 109.5° |
CAE | OAF | CAG | 111.3° | 114.0° |
OAF | CAE | H10 | 109.1° | 109.5° |
OAF | CAE | H11 | 109.1° | 109.5° |
OAF | CAG | H12 | 109.5° | 109.5° |
OAF | CAG | H13 | 109.5° | 109.5° |
OAF | CAG | H14 | 109.5° | 109.5° |
NAC | CAB | OAA | 123.6° | 120.0° |
CAB | NAC | CAH | 120.6° | 120.0° |
NAC | CAH | CAI | 107.5° | 109.5° |
NAC | CAH | H15 | 109.9° | 109.5° |
NAC | CAH | H16 | 110.0° | 109.5° |
CAK | CAJ | CAI | 109.3° | 109.1° |
CAJ | CAK | CAL | 108.6° | 109.3° |
CAK | CAJ | H20 | 109.5° | 109.5° |
CAK | CAJ | H21 | 109.5° | 109.6° |
CAJ | CAK | H22 | 109.7° | 109.5° |
CAJ | CAK | H23 | 109.7° | 109.5° |
CAJ | CAI | CAH | 111.4° | 109.5° |
CAJ | CAI | CAQ | 108.7° | 109.3° |
CAJ | CAI | H17 | 108.8° | 109.6° |
CAI | CAJ | H20 | 109.5° | 109.5° |
CAI | CAJ | H21 | 109.5° | 109.5° |
CAK | CAL | NAM | 110.7° | 109.6° |
CAL | CAK | H22 | 109.7° | 109.5° |
CAL | CAK | H23 | 109.7° | 109.5° |
CAK | CAL | H24 | 109.2° | 109.5° |
CAK | CAL | H25 | 109.2° | 109.5° |
CAH | CAI | CAQ | 110.4° | 109.5° |
CAI | CAH | H15 | 110.0° | 109.5° |
CAI | CAH | H16 | 110.0° | 109.5° |
CAH | CAI | H17 | 108.6° | 109.4° |
CAI | CAQ | NAM | 111.6° | 109.5° |
CAQ | CAI | H17 | 109.0° | 109.5° |
CAI | CAQ | H18 | 108.9° | 109.5° |
CAI | CAQ | H19 | 109.0° | 109.5° |
CAL | NAM | CAQ | 109.5° | 111.2° |
CAL | NAM | CAN | 109.2° | 111.0° |
NAM | CAL | H24 | 109.2° | 109.5° |
NAM | CAL | H25 | 109.2° | 109.4° |
CAQ | NAM | CAN | 111.7° | 111.0° |
NAM | CAQ | H18 | 109.0° | 109.4° |
NAM | CAQ | H19 | 108.9° | 109.5° |
NAM | CAN | CAO | 111.4° | 109.5° |
NAM | CAN | H27 | 109.0° | 109.5° |
NAM | CAN | H28 | 109.0° | 109.5° |
CAN | CAO | CAP | 179.3° | 180.0° |
CAO | CAN | H27 | 109.0° | 109.4° |
CAO | CAN | H28 | 109.0° | 109.5° |
CAO | CAP | H29 | 180.0° | 180.0° |
H8 | CAD | H9 | 109.5° | 109.5° |
H10 | CAE | H11 | 109.5° | 109.5° |
H12 | CAG | H13 | 109.5° | 109.5° |
H12 | CAG | H14 | 109.4° | 109.4° |
H13 | CAG | H14 | 109.4° | 109.5° |
H15 | CAH | H16 | 109.4° | 109.4° |
H18 | CAQ | H19 | 109.5° | 109.4° |
H20 | CAJ | H21 | 109.5° | 109.6° |
H22 | CAK | H23 | 109.4° | 109.5° |
H24 | CAL | H25 | 109.4° | 109.4° |
H27 | CAN | H28 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAX | CAY | CAZ | H4 | 180.0° | 179.9° |
CAY | CAX | CAW | H5 | 180.0° | 179.9° |
CAX | CAY | CAZ | CBA | 0.8° | 0.0° |
CAY | CAX | CAW | CAT | 179.9° | 179.9° |
CAY | CAX | CAW | CAV | 0.1° | 0.1° |
CAX | CAY | CAZ | H3 | 179.2° | 179.9° |
CAZ | CAY | CAX | CAW | 0.2° | 0.1° |
CAY | CAZ | CBA | H3 | 180.0° | 179.9° |
CAY | CAZ | CBA | CAV | 1.1° | 0.1° |
CAY | CAZ | CBA | H2 | 178.9° | 179.9° |
CAZ | CAY | CAX | H5 | 179.8° | 180.0° |
CAX | CAW | CAT | CAV | 180.0° | 180.0° |
CAX | CAW | CAV | CBA | 0.2° | 0.0° |
CAX | CAW | CAT | CAS | 179.9° | 180.0° |
CAX | CAW | CAV | CAU | 179.7° | 179.9° |
CAW | CAX | CAY | H4 | 179.8° | 180.0° |
CAX | CAW | CAT | H6 | 0.1° | 0.0° |
CAZ | CBA | CAV | CAW | 0.8° | 0.1° |
CAZ | CBA | CAV | H2 | 180.0° | 180.0° |
CAZ | CBA | CAV | CAU | 179.1° | 180.0° |
CBA | CAZ | CAY | H4 | 179.2° | 179.9° |
CAT | CAW | CAV | CBA | 179.8° | 180.0° |
CAW | CAT | CAS | H6 | 180.0° | 180.0° |
CAT | CAW | CAV | CAU | 0.3° | 0.1° |
CAW | CAT | CAS | CAR | 0.3° | 0.0° |
CAT | CAW | CAX | H5 | 0.1° | 0.0° |
CAW | CAT | CAS | H7 | 179.7° | 180.0° |
CAW | CAV | CBA | CAU | 179.9° | 179.9° |
CAV | CAW | CAT | CAS | 0.1° | 0.0° |
CAW | CAV | CAU | CAR | 0.7° | 0.1° |
CAW | CAV | CAU | H1 | 179.3° | 179.7° |
CAW | CAV | CBA | H2 | 179.2° | 179.9° |
CAV | CAW | CAX | H5 | 179.9° | 180.0° |
CAV | CAW | CAT | H6 | 179.9° | 180.0° |
CBA | CAV | CAU | CAR | 179.4° | 180.0° |
CBA | CAV | CAU | H1 | 0.6° | 0.4° |
CAV | CBA | CAZ | H3 | 178.9° | 180.0° |
CAT | CAS | CAR | H7 | 180.0° | 179.9° |
CAT | CAS | CAR | CAU | 0.7° | 0.0° |
CAT | CAS | CAR | CAB | 179.8° | 179.8° |
CAV | CAU | CAR | CAS | 0.9° | 0.1° |
CAV | CAU | CAR | H1 | 180.0° | 179.6° |
CAV | CAU | CAR | CAB | 179.6° | 179.7° |
CAU | CAV | CBA | H2 | 1.0° | 0.0° |
CAS | CAR | CAU | CAB | 179.5° | 179.8° |
CAS | CAR | CAB | NAC | 95.9° | 134.2° |
CAS | CAR | CAB | OAA | 79.7° | 45.8° |
CAS | CAR | CAU | H1 | 179.1° | 179.7° |
CAR | CAS | CAT | H6 | 179.7° | 180.0° |
CAU | CAR | CAB | NAC | 84.6° | 45.5° |
CAU | CAR | CAB | OAA | 99.8° | 134.4° |
CAU | CAR | CAS | H7 | 179.3° | 179.9° |
CAR | CAB | NAC | CAD | 3.5° | 6.3° |
CAR | CAB | NAC | OAA | 175.4° | 179.9° |
CAR | CAB | NAC | CAH | 175.3° | 173.7° |
CAB | CAR | CAU | H1 | 0.4° | 0.1° |
CAB | CAR | CAS | H7 | 0.2° | 0.3° |
CAE | CAD | NAC | H8 | 120.1° | 120.0° |
CAE | CAD | NAC | H9 | 120.2° | 120.0° |
CAD | CAE | OAF | H10 | 120.2° | 119.9° |
CAD | CAE | OAF | H11 | 120.2° | 120.0° |
CAD | CAE | OAF | CAG | 72.3° | 180.0° |
CAE | CAD | NAC | CAB | 151.0° | 98.6° |
CAE | CAD | NAC | CAH | 30.2° | 81.4° |
CAE | CAD | H8 | H9 | 119.5° | 120.0° |
CAD | CAE | H10 | H11 | 119.5° | 120.0° |
NAC | CAD | CAE | OAF | 108.4° | 67.7° |
CAD | NAC | CAB | CAH | 178.8° | 179.9° |
CAD | NAC | CAB | OAA | 178.9° | 173.7° |
CAD | NAC | CAH | CAI | 108.1° | 90.0° |
NAC | CAD | H8 | H9 | 119.5° | 120.0° |
NAC | CAD | CAE | H10 | 11.8° | 172.3° |
NAC | CAD | CAE | H11 | 131.4° | 52.3° |
CAD | NAC | CAH | H15 | 11.6° | 30.1° |
CAD | NAC | CAH | H16 | 132.2° | 150.0° |
OAF | CAE | CAD | H8 | 11.8° | 52.3° |
OAF | CAE | CAD | H9 | 131.4° | 172.3° |
OAF | CAE | H10 | H11 | 119.4° | 120.1° |
CAE | OAF | CAG | H12 | 180.0° | 60.0° |
CAE | OAF | CAG | H13 | 60.0° | 180.0° |
CAE | OAF | CAG | H14 | 60.0° | 60.0° |
CAG | OAF | CAE | H10 | 47.9° | 60.1° |
CAG | OAF | CAE | H11 | 167.5° | 60.0° |
OAF | CAG | H12 | H13 | 120.0° | 120.0° |
OAF | CAG | H12 | H14 | 120.0° | 120.0° |
OAF | CAG | H13 | H14 | 120.0° | 120.0° |
CAB | NAC | CAH | CAI | 70.8° | 90.0° |
CAB | NAC | CAD | H8 | 30.9° | 141.3° |
CAB | NAC | CAD | H9 | 88.8° | 21.4° |
CAB | NAC | CAH | H15 | 169.5° | 150.0° |
CAB | NAC | CAH | H16 | 49.0° | 30.1° |
OAA | CAB | NAC | CAH | 0.1° | 6.4° |
NAC | CAH | CAI | CAJ | 56.4° | 65.2° |
NAC | CAH | CAI | H15 | 119.7° | 120.0° |
NAC | CAH | CAI | H16 | 119.7° | 120.0° |
NAC | CAH | CAI | CAQ | 177.2° | 175.0° |
CAH | NAC | CAD | H8 | 150.3° | 38.6° |
CAH | NAC | CAD | H9 | 90.0° | 158.6° |
NAC | CAH | H15 | H16 | 120.9° | 120.0° |
NAC | CAH | CAI | H17 | 63.4° | 54.9° |
CAK | CAJ | CAI | H20 | 120.0° | 119.9° |
CAK | CAJ | CAI | H21 | 120.0° | 120.0° |
CAJ | CAK | CAL | H22 | 119.9° | 119.9° |
CAJ | CAK | CAL | H23 | 119.9° | 119.9° |
CAK | CAJ | CAI | CAH | 179.9° | 177.6° |
CAK | CAJ | CAI | CAQ | 58.1° | 57.7° |
CAJ | CAK | CAL | NAM | 60.7° | 59.2° |
CAK | CAJ | CAI | H17 | 60.5° | 62.3° |
CAK | CAJ | H20 | H21 | 120.0° | 120.2° |
CAJ | CAK | H22 | H23 | 120.4° | 120.1° |
CAJ | CAK | CAL | H24 | 179.1° | 179.3° |
CAJ | CAK | CAL | H25 | 59.5° | 60.8° |
CAI | CAJ | CAK | CAL | 59.2° | 57.6° |
CAJ | CAI | CAH | CAQ | 120.8° | 119.8° |
CAJ | CAI | CAH | H17 | 119.8° | 120.1° |
CAJ | CAI | CAQ | H17 | 118.4° | 120.0° |
CAJ | CAI | CAQ | NAM | 58.5° | 59.1° |
CAJ | CAI | CAH | H15 | 63.3° | 54.8° |
CAJ | CAI | CAH | H16 | 176.1° | 174.8° |
CAJ | CAI | CAQ | H18 | 61.9° | 60.8° |
CAJ | CAI | CAQ | H19 | 178.8° | 179.2° |
CAI | CAJ | H20 | H21 | 120.1° | 120.1° |
CAI | CAJ | CAK | H22 | 60.7° | 62.3° |
CAI | CAJ | CAK | H23 | 179.1° | 177.6° |
CAK | CAL | NAM | H24 | 120.2° | 120.1° |
CAK | CAL | NAM | H25 | 120.2° | 120.0° |
CAK | CAL | NAM | CAQ | 60.3° | 61.7° |
CAK | CAL | NAM | CAN | 62.3° | 62.4° |
CAL | CAK | CAJ | H20 | 60.8° | 177.5° |
CAL | CAK | CAJ | H21 | 179.2° | 62.3° |
CAL | CAK | H22 | H23 | 120.4° | 120.1° |
CAK | CAL | H24 | H25 | 119.5° | 119.9° |
CAH | CAI | CAQ | H17 | 119.2° | 120.0° |
CAH | CAI | CAQ | NAM | 179.1° | 179.1° |
CAI | CAH | H15 | H16 | 120.9° | 120.0° |
CAH | CAI | CAQ | H18 | 60.6° | 59.2° |
CAH | CAI | CAQ | H19 | 58.8° | 60.8° |
CAH | CAI | CAJ | H20 | 59.9° | 62.5° |
CAH | CAI | CAJ | H21 | 60.2° | 57.7° |
CAI | CAQ | NAM | CAL | 59.6° | 61.7° |
CAI | CAQ | NAM | H18 | 120.3° | 120.0° |
CAI | CAQ | NAM | H19 | 120.3° | 120.1° |
CAI | CAQ | NAM | CAN | 61.5° | 62.4° |
CAQ | CAI | CAH | H15 | 57.5° | 65.0° |
CAQ | CAI | CAH | H16 | 63.1° | 54.9° |
CAI | CAQ | H18 | H19 | 119.1° | 120.1° |
CAQ | CAI | CAJ | H20 | 61.9° | 177.5° |
CAQ | CAI | CAJ | H21 | 178.0° | 62.3° |
CAL | NAM | CAQ | CAN | 121.0° | 124.1° |
CAL | NAM | CAN | CAO | 166.1° | 65.8° |
CAL | NAM | CAQ | H18 | 60.8° | 58.3° |
CAL | NAM | CAQ | H19 | 179.9° | 178.3° |
NAM | CAL | CAK | H22 | 59.2° | 60.8° |
NAM | CAL | CAK | H23 | 179.4° | 179.1° |
NAM | CAL | H24 | H25 | 119.4° | 119.9° |
CAL | NAM | CAN | H27 | 45.8° | 174.3° |
CAL | NAM | CAN | H28 | 73.6° | 54.2° |
CAQ | NAM | CAN | CAO | 44.9° | 170.0° |
NAM | CAQ | CAI | H17 | 59.9° | 60.9° |
NAM | CAQ | H18 | H19 | 119.0° | 119.9° |
CAQ | NAM | CAL | H24 | 179.5° | 178.2° |
CAQ | NAM | CAL | H25 | 59.9° | 58.3° |
CAQ | NAM | CAN | H27 | 75.4° | 50.0° |
CAQ | NAM | CAN | H28 | 165.2° | 70.0° |
NAM | CAN | CAO | H27 | 120.3° | 120.0° |
NAM | CAN | CAO | H28 | 120.3° | 120.0° |
NAM | CAN | CAO | CAP | 49.8° | 76.1° |
CAN | NAM | CAQ | H18 | 178.2° | 177.6° |
CAN | NAM | CAQ | H19 | 58.9° | 57.7° |
CAN | NAM | CAL | H24 | 57.9° | 57.7° |
CAN | NAM | CAL | H25 | 177.5° | 177.6° |
NAM | CAN | H27 | H28 | 119.1° | 120.0° |
CAO | CAN | H27 | H28 | 119.1° | 120.0° |
CAN | CAO | CAP | H29 | 131.7° | 148.6° |
CAP | CAO | CAN | H27 | 70.5° | 163.9° |
CAP | CAO | CAN | H28 | 170.1° | 43.9° |
H2 | CBA | CAZ | H3 | 1.1° | 0.0° |
H3 | CAZ | CAY | H4 | 0.8° | 0.0° |
H4 | CAY | CAX | H5 | 0.2° | 0.1° |
H6 | CAT | CAS | H7 | 0.3° | 0.1° |
H8 | CAD | CAE | H10 | 131.9° | 67.7° |
H8 | CAD | CAE | H11 | 108.4° | 172.3° |
H9 | CAD | CAE | H10 | 108.4° | 52.3° |
H9 | CAD | CAE | H11 | 11.2° | 67.7° |
H12 | CAG | H13 | H14 | 120.0° | 120.0° |
H15 | CAH | CAI | H17 | 176.9° | 175.0° |
H16 | CAH | CAI | H17 | 56.3° | 65.1° |
H17 | CAI | CAQ | H18 | 179.7° | 179.2° |
H17 | CAI | CAQ | H19 | 60.4° | 59.2° |
H17 | CAI | CAJ | H20 | 179.5° | 57.5° |
H17 | CAI | CAJ | H21 | 59.5° | 177.7° |
H20 | CAJ | CAK | H22 | 179.3° | 57.6° |
H20 | CAJ | CAK | H23 | 59.1° | 62.5° |
H21 | CAJ | CAK | H22 | 59.3° | 177.8° |
H21 | CAJ | CAK | H23 | 60.9° | 57.7° |
H22 | CAK | CAL | H24 | 61.0° | 59.3° |
H22 | CAK | CAL | H25 | 179.4° | 179.2° |
H23 | CAK | CAL | H24 | 59.2° | 60.8° |
H23 | CAK | CAL | H25 | 60.4° | 59.1° |