2V4
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAE | CAO | sing | 1.36Å | 1.36Å | |
CAI | CAO | doub | 1.39Å | 1.39Å | Aromatic |
CAI | CAH | sing | 1.38Å | 1.39Å | Aromatic |
CAO | CAV | sing | 1.40Å | 1.40Å | Aromatic |
CAH | CAJ | doub | 1.39Å | 1.39Å | Aromatic |
CAV | CAT | sing | 1.48Å | 1.40Å | |
CAV | CAU | doub | 1.41Å | 1.39Å | Aromatic |
OAD | CAT | doub | 1.22Å | 1.24Å | |
CAJ | CAU | sing | 1.39Å | 1.40Å | Aromatic |
CAT | CAW | sing | 1.48Å | 1.40Å | |
CAU | CAS | sing | 1.48Å | 1.40Å | |
OAF | CAP | sing | 1.35Å | 1.36Å | |
CAW | CAP | doub | 1.40Å | 1.40Å | Aromatic |
CAW | CAX | sing | 1.40Å | 1.41Å | Aromatic |
CAS | OAC | doub | 1.22Å | 1.23Å | |
CAS | CAX | sing | 1.48Å | 1.41Å | |
CAP | CAK | sing | 1.39Å | 1.38Å | Aromatic |
CAX | CAR | doub | 1.40Å | 1.42Å | Aromatic |
CAK | CAQ | doub | 1.38Å | 1.39Å | Aromatic |
CAR | CAQ | sing | 1.40Å | 1.39Å | Aromatic |
CAR | CAN | sing | 1.48Å | 1.40Å | |
OAB | CAN | doub | 1.21Å | 1.23Å | |
CAQ | CAM | sing | 1.51Å | 1.40Å | |
CAN | CAL | sing | 1.51Å | 1.41Å | |
CAM | CAY | sing | 1.53Å | 1.54Å | |
CAL | CAY | sing | 1.53Å | 1.56Å | |
CAY | CAA | sing | 1.53Å | 1.53Å | |
CAY | OAG | sing | 1.43Å | 1.43Å | |
CAL | H1 | sing | 1.09Å | 1.10Å | |
CAL | H2 | sing | 1.09Å | 1.10Å | |
CAA | H3 | sing | 1.09Å | 1.10Å | |
CAA | H4 | sing | 1.09Å | 1.10Å | |
CAA | H5 | sing | 1.09Å | 1.10Å | |
OAG | H6 | sing | 0.97Å | 0.95Å | |
CAM | H7 | sing | 1.09Å | 1.10Å | |
CAM | H8 | sing | 1.09Å | 1.10Å | |
CAK | H9 | sing | 1.08Å | 1.08Å | |
OAF | H10 | sing | 0.97Å | 0.95Å | |
CAJ | H11 | sing | 1.08Å | 1.08Å | |
CAH | H12 | sing | 1.08Å | 1.08Å | |
CAI | H13 | sing | 1.08Å | 1.08Å | |
OAE | H14 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAE | CAO | CAI | 120.9° | 120.2° |
OAE | CAO | CAV | 117.3° | 120.2° |
CAO | OAE | H14 | 109.5° | 114.0° |
CAO | CAI | CAH | 119.5° | 120.5° |
CAI | CAO | CAV | 121.7° | 119.6° |
CAO | CAI | H13 | 120.3° | 119.8° |
CAI | CAH | CAJ | 119.4° | 120.6° |
CAI | CAH | H12 | 120.3° | 119.7° |
CAH | CAI | H13 | 120.2° | 119.7° |
CAO | CAV | CAT | 121.8° | 120.7° |
CAO | CAV | CAU | 118.5° | 119.6° |
CAH | CAJ | CAU | 121.2° | 119.9° |
CAH | CAJ | H11 | 119.4° | 120.0° |
CAJ | CAH | H12 | 120.3° | 119.7° |
CAT | CAV | CAU | 119.7° | 119.7° |
CAV | CAT | OAD | 120.4° | 120.4° |
CAV | CAT | CAW | 119.6° | 119.3° |
CAV | CAU | CAJ | 119.7° | 119.8° |
CAV | CAU | CAS | 120.8° | 119.5° |
OAD | CAT | CAW | 120.0° | 120.3° |
CAJ | CAU | CAS | 119.5° | 120.7° |
CAU | CAJ | H11 | 119.4° | 120.1° |
CAT | CAW | CAP | 119.8° | 120.7° |
CAT | CAW | CAX | 120.9° | 119.8° |
CAU | CAS | OAC | 118.9° | 120.4° |
CAU | CAS | CAX | 120.2° | 119.1° |
OAF | CAP | CAW | 117.7° | 120.0° |
OAF | CAP | CAK | 120.6° | 120.0° |
CAP | OAF | H10 | 109.5° | 114.0° |
CAP | CAW | CAX | 119.3° | 119.5° |
CAW | CAP | CAK | 121.8° | 120.1° |
CAW | CAX | CAS | 118.7° | 119.7° |
CAW | CAX | CAR | 118.6° | 119.6° |
OAC | CAS | CAX | 121.0° | 120.5° |
CAS | CAX | CAR | 122.6° | 120.7° |
CAP | CAK | CAQ | 119.1° | 120.8° |
CAP | CAK | H9 | 120.5° | 119.6° |
CAX | CAR | CAQ | 120.1° | 120.2° |
CAX | CAR | CAN | 125.6° | 119.7° |
CAK | CAQ | CAR | 121.1° | 119.7° |
CAK | CAQ | CAM | 120.4° | 118.9° |
CAQ | CAK | H9 | 120.4° | 119.6° |
CAQ | CAR | CAN | 114.2° | 120.1° |
CAR | CAQ | CAM | 118.6° | 121.4° |
CAR | CAN | OAB | 122.1° | 121.2° |
CAR | CAN | CAL | 117.9° | 117.7° |
OAB | CAN | CAL | 119.9° | 121.1° |
CAQ | CAM | CAY | 110.0° | 111.3° |
CAQ | CAM | H7 | 109.3° | 109.1° |
CAQ | CAM | H8 | 109.3° | 109.0° |
CAN | CAL | CAY | 111.6° | 107.4° |
CAN | CAL | H1 | 109.0° | 109.9° |
CAN | CAL | H2 | 108.9° | 109.9° |
CAM | CAY | CAL | 110.6° | 109.4° |
CAM | CAY | CAA | 109.4° | 109.5° |
CAM | CAY | OAG | 108.8° | 109.5° |
CAY | CAM | H7 | 109.4° | 109.1° |
CAY | CAM | H8 | 109.3° | 109.1° |
CAL | CAY | CAA | 110.0° | 109.5° |
CAL | CAY | OAG | 109.6° | 109.5° |
CAY | CAL | H1 | 108.9° | 109.8° |
CAY | CAL | H2 | 108.9° | 109.8° |
CAA | CAY | OAG | 108.3° | 109.5° |
CAY | CAA | H3 | 109.5° | 109.5° |
CAY | CAA | H4 | 109.5° | 109.5° |
CAY | CAA | H5 | 109.5° | 109.5° |
CAY | OAG | H6 | 109.5° | 113.9° |
H1 | CAL | H2 | 109.5° | 109.9° |
H3 | CAA | H4 | 109.5° | 109.5° |
H3 | CAA | H5 | 109.5° | 109.5° |
H4 | CAA | H5 | 109.5° | 109.4° |
H7 | CAM | H8 | 109.5° | 109.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAE | CAO | CAI | CAV | 180.0° | 179.6° |
OAE | CAO | CAI | CAH | 180.0° | 179.9° |
OAE | CAO | CAV | CAT | 0.3° | 0.2° |
OAE | CAO | CAV | CAU | 179.6° | 180.0° |
OAE | CAO | CAI | H13 | 0.1° | 0.4° |
CAO | CAI | CAH | H13 | 180.0° | 179.6° |
CAO | CAI | CAH | CAJ | 0.3° | 0.1° |
CAI | CAO | CAV | CAT | 179.7° | 179.8° |
CAI | CAO | CAV | CAU | 0.4° | 0.4° |
CAO | CAI | CAH | H12 | 179.7° | 179.8° |
CAI | CAO | OAE | H14 | 179.9° | 89.9° |
CAH | CAI | CAO | CAV | 0.0° | 0.3° |
CAI | CAH | CAJ | H12 | 180.0° | 179.9° |
CAI | CAH | CAJ | CAU | 0.1° | 0.0° |
CAI | CAH | CAJ | H11 | 179.9° | 180.0° |
CAO | CAV | CAT | CAU | 179.3° | 179.8° |
CAO | CAV | CAT | OAD | 0.4° | 14.0° |
CAO | CAV | CAU | CAJ | 0.5° | 0.3° |
CAO | CAV | CAT | CAW | 179.5° | 166.1° |
CAO | CAV | CAU | CAS | 179.9° | 180.0° |
CAV | CAO | CAI | H13 | 179.9° | 180.0° |
CAV | CAO | OAE | H14 | 0.1° | 89.7° |
CAH | CAJ | CAU | CAV | 0.3° | 0.1° |
CAH | CAJ | CAU | H11 | 180.0° | 180.0° |
CAH | CAJ | CAU | CAS | 179.9° | 179.8° |
CAJ | CAH | CAI | H13 | 179.7° | 179.7° |
CAV | CAT | OAD | CAW | 179.9° | 180.0° |
CAT | CAV | CAU | CAJ | 179.9° | 179.9° |
CAT | CAV | CAU | CAS | 0.6° | 0.2° |
CAV | CAT | CAW | CAP | 179.8° | 166.2° |
CAV | CAT | CAW | CAX | 0.4° | 13.7° |
CAU | CAV | CAT | OAD | 179.7° | 166.2° |
CAV | CAU | CAJ | CAS | 179.5° | 179.7° |
CAU | CAV | CAT | CAW | 0.2° | 13.7° |
CAV | CAU | CAS | OAC | 179.3° | 166.2° |
CAV | CAU | CAS | CAX | 0.4° | 14.1° |
CAV | CAU | CAJ | H11 | 179.7° | 179.9° |
OAD | CAT | CAW | CAP | 0.1° | 13.9° |
OAD | CAT | CAW | CAX | 179.7° | 166.3° |
CAJ | CAU | CAS | OAC | 0.3° | 13.6° |
CAJ | CAU | CAS | CAX | 179.9° | 166.2° |
CAU | CAJ | CAH | H12 | 179.9° | 180.0° |
CAT | CAW | CAP | OAF | 0.8° | 0.3° |
CAT | CAW | CAP | CAX | 179.8° | 179.8° |
CAT | CAW | CAX | CAS | 0.7° | 0.3° |
CAT | CAW | CAP | CAK | 179.1° | 179.6° |
CAT | CAW | CAX | CAR | 180.0° | 179.7° |
CAU | CAS | CAX | CAW | 0.3° | 14.2° |
CAU | CAS | OAC | CAX | 179.7° | 179.7° |
CAU | CAS | CAX | CAR | 179.6° | 165.8° |
CAS | CAU | CAJ | H11 | 0.1° | 0.2° |
OAF | CAP | CAW | CAK | 179.9° | 180.0° |
OAF | CAP | CAW | CAX | 179.5° | 179.8° |
OAF | CAP | CAK | CAQ | 179.1° | 180.0° |
OAF | CAP | CAK | H9 | 0.9° | 0.0° |
CAP | CAW | CAX | CAS | 179.6° | 179.9° |
CAP | CAW | CAX | CAR | 0.2° | 0.1° |
CAW | CAP | CAK | CAQ | 1.0° | 0.0° |
CAW | CAP | CAK | H9 | 179.0° | 180.0° |
CAW | CAP | OAF | H10 | 0.8° | 90.0° |
CAW | CAX | CAS | OAC | 179.9° | 166.1° |
CAW | CAX | CAS | CAR | 179.3° | 180.0° |
CAX | CAW | CAP | CAK | 0.6° | 0.2° |
CAW | CAX | CAR | CAQ | 0.7° | 0.2° |
CAW | CAX | CAR | CAN | 178.7° | 179.6° |
OAC | CAS | CAX | CAR | 0.8° | 13.9° |
CAS | CAX | CAR | CAQ | 180.0° | 179.8° |
CAS | CAX | CAR | CAN | 2.0° | 0.4° |
CAP | CAK | CAQ | H9 | 180.0° | 180.0° |
CAP | CAK | CAQ | CAR | 0.6° | 0.3° |
CAP | CAK | CAQ | CAM | 179.8° | 179.6° |
CAK | CAP | OAF | H10 | 179.2° | 90.0° |
CAX | CAR | CAQ | CAK | 0.3° | 0.4° |
CAX | CAR | CAQ | CAN | 178.3° | 179.8° |
CAX | CAR | CAN | OAB | 54.6° | 11.4° |
CAX | CAR | CAQ | CAM | 179.0° | 179.5° |
CAX | CAR | CAN | CAL | 129.3° | 168.6° |
CAK | CAQ | CAR | CAM | 179.2° | 179.9° |
CAK | CAQ | CAR | CAN | 178.5° | 179.4° |
CAK | CAQ | CAM | CAY | 131.1° | 157.3° |
CAK | CAQ | CAM | H7 | 11.0° | 36.9° |
CAK | CAQ | CAM | H8 | 108.8° | 82.2° |
CAQ | CAR | CAN | OAB | 127.3° | 168.5° |
CAQ | CAR | CAN | CAL | 48.8° | 11.5° |
CAR | CAQ | CAM | CAY | 48.1° | 22.7° |
CAR | CAQ | CAM | H7 | 168.2° | 143.2° |
CAR | CAQ | CAM | H8 | 72.0° | 97.7° |
CAR | CAQ | CAK | H9 | 179.4° | 179.7° |
CAR | CAN | OAB | CAL | 176.0° | 180.0° |
CAN | CAR | CAQ | CAM | 0.7° | 0.6° |
CAR | CAN | CAL | CAY | 42.2° | 42.6° |
CAR | CAN | CAL | H1 | 162.5° | 162.1° |
CAR | CAN | CAL | H2 | 78.1° | 76.8° |
OAB | CAN | CAL | CAY | 133.9° | 137.4° |
OAB | CAN | CAL | H1 | 13.6° | 17.9° |
OAB | CAN | CAL | H2 | 105.8° | 103.2° |
CAQ | CAM | CAY | H7 | 120.1° | 120.5° |
CAQ | CAM | CAY | H8 | 120.1° | 120.4° |
CAQ | CAM | CAY | CAL | 49.6° | 54.7° |
CAQ | CAM | CAY | CAA | 71.8° | 174.7° |
CAQ | CAM | CAY | OAG | 170.1° | 65.3° |
CAQ | CAM | H7 | H8 | 119.7° | 119.0° |
CAM | CAQ | CAK | H9 | 0.2° | 0.4° |
CAN | CAL | CAY | CAM | 6.9° | 64.0° |
CAN | CAL | CAY | H1 | 120.3° | 119.5° |
CAN | CAL | CAY | H2 | 120.3° | 119.4° |
CAN | CAL | CAY | CAA | 114.1° | 176.0° |
CAN | CAL | CAY | OAG | 126.9° | 55.9° |
CAN | CAL | H1 | H2 | 119.0° | 121.1° |
CAM | CAY | CAL | CAA | 121.0° | 120.0° |
CAM | CAY | CAL | OAG | 119.9° | 119.9° |
CAM | CAY | CAA | OAG | 118.4° | 120.0° |
CAM | CAY | CAL | H1 | 113.4° | 176.5° |
CAM | CAY | CAL | H2 | 127.3° | 55.4° |
CAM | CAY | CAA | H3 | 180.0° | 59.9° |
CAM | CAY | CAA | H4 | 60.0° | 60.2° |
CAM | CAY | CAA | H5 | 60.0° | 179.9° |
CAM | CAY | OAG | H6 | 180.0° | 179.9° |
CAY | CAM | H7 | H8 | 119.8° | 119.1° |
CAL | CAY | CAA | OAG | 119.8° | 120.1° |
CAY | CAL | H1 | H2 | 119.0° | 121.0° |
CAL | CAY | CAA | H3 | 58.3° | 60.0° |
CAL | CAY | CAA | H4 | 61.7° | 180.0° |
CAL | CAY | CAA | H5 | 178.3° | 60.0° |
CAL | CAY | OAG | H6 | 58.9° | 60.0° |
CAL | CAY | CAM | H7 | 169.7° | 175.1° |
CAL | CAY | CAM | H8 | 70.5° | 65.7° |
CAA | CAY | CAL | H1 | 125.6° | 56.5° |
CAA | CAY | CAL | H2 | 6.2° | 64.5° |
CAY | CAA | H3 | H4 | 120.0° | 120.0° |
CAY | CAA | H3 | H5 | 120.0° | 120.0° |
CAY | CAA | H4 | H5 | 120.0° | 120.0° |
CAA | CAY | OAG | H6 | 61.1° | 60.1° |
CAA | CAY | CAM | H7 | 48.3° | 64.9° |
CAA | CAY | CAM | H8 | 168.1° | 54.3° |
OAG | CAY | CAL | H1 | 6.5° | 63.6° |
OAG | CAY | CAL | H2 | 112.8° | 175.4° |
OAG | CAY | CAA | H3 | 61.6° | 179.9° |
OAG | CAY | CAA | H4 | 178.4° | 59.9° |
OAG | CAY | CAA | H5 | 58.5° | 60.1° |
OAG | CAY | CAM | H7 | 69.9° | 55.2° |
OAG | CAY | CAM | H8 | 50.0° | 174.3° |
H3 | CAA | H4 | H5 | 120.0° | 120.0° |
H11 | CAJ | CAH | H12 | 0.1° | 0.1° |
H12 | CAH | CAI | H13 | 0.3° | 0.2° |