7U6
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAB | CAN | doub | 1.22Å | 1.23Å | |
CAN | NAA | sing | 1.35Å | 1.33Å | |
CAN | CAP | sing | 1.48Å | 1.43Å | |
CAP | CAE | sing | 1.39Å | 1.39Å | Aromatic |
CAP | CAS | doub | 1.41Å | 1.37Å | Aromatic |
CAE | CAD | doub | 1.39Å | 1.38Å | Aromatic |
CAS | NAK | sing | 1.34Å | 1.32Å | Aromatic |
CAS | CAR | sing | 1.41Å | 1.35Å | Aromatic |
CAD | CAF | sing | 1.38Å | 1.38Å | Aromatic |
NAK | CAQ | doub | 1.31Å | 1.31Å | Aromatic |
CAR | CAF | doub | 1.39Å | 1.32Å | Aromatic |
CAR | NAM | sing | 1.38Å | 1.33Å | Aromatic |
NAL | CAG | sing | 1.47Å | 1.48Å | |
NAL | CAH | sing | 1.47Å | 1.47Å | |
CAI | NAT | sing | 1.47Å | 1.52Å | |
CAI | CAG | sing | 1.53Å | 1.48Å | |
CAQ | CAO | sing | 1.48Å | 1.35Å | |
CAQ | NAM | sing | 1.37Å | 1.33Å | Aromatic |
NAT | CAO | sing | 1.35Å | 1.38Å | |
NAT | CAJ | sing | 1.47Å | 1.51Å | |
CAO | OAC | doub | 1.22Å | 1.23Å | |
CAH | CAJ | sing | 1.53Å | 1.56Å | |
CAI | H1 | sing | 1.09Å | 1.10Å | |
CAI | H2 | sing | 1.09Å | 1.10Å | |
CAG | H3 | sing | 1.09Å | 1.10Å | |
CAG | H4 | sing | 1.09Å | 1.10Å | |
NAL | H5 | sing | 1.01Å | 1.00Å | |
CAH | H7 | sing | 1.09Å | 1.10Å | |
CAH | H8 | sing | 1.09Å | 1.10Å | |
CAJ | H9 | sing | 1.09Å | 1.10Å | |
CAJ | H10 | sing | 1.09Å | 1.10Å | |
NAM | H11 | sing | 0.97Å | 1.00Å | |
CAF | H13 | sing | 1.08Å | 1.08Å | |
CAD | H14 | sing | 1.08Å | 1.08Å | |
CAE | H15 | sing | 1.08Å | 1.08Å | |
NAA | H16 | sing | 0.97Å | 1.00Å | |
NAA | H17 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAB | CAN | NAA | 118.3° | 120.0° |
OAB | CAN | CAP | 120.4° | 120.0° |
NAA | CAN | CAP | 121.2° | 120.0° |
CAN | NAA | H16 | 120.0° | 120.0° |
CAN | NAA | H17 | 120.0° | 120.0° |
CAN | CAP | CAE | 117.0° | 120.3° |
CAN | CAP | CAS | 126.3° | 120.3° |
CAE | CAP | CAS | 116.6° | 119.4° |
CAP | CAE | CAD | 120.4° | 120.4° |
CAP | CAE | H15 | 119.8° | 119.8° |
CAP | CAS | NAK | 131.8° | 133.4° |
CAP | CAS | CAR | 123.1° | 119.3° |
CAE | CAD | CAF | 119.5° | 120.7° |
CAE | CAD | H14 | 120.3° | 119.7° |
CAD | CAE | H15 | 119.8° | 119.7° |
NAK | CAS | CAR | 105.1° | 107.4° |
CAS | NAK | CAQ | 110.2° | 109.7° |
CAS | CAR | CAF | 120.2° | 120.0° |
CAS | CAR | NAM | 109.7° | 106.1° |
CAD | CAF | CAR | 120.3° | 120.2° |
CAD | CAF | H13 | 119.9° | 119.9° |
CAF | CAD | H14 | 120.3° | 119.7° |
NAK | CAQ | CAO | 124.5° | 125.1° |
NAK | CAQ | NAM | 108.5° | 109.8° |
CAF | CAR | NAM | 130.1° | 133.8° |
CAR | CAF | H13 | 119.8° | 119.9° |
CAR | NAM | CAQ | 106.5° | 107.0° |
CAR | NAM | H11 | 126.8° | 126.5° |
CAG | NAL | CAH | 112.1° | 111.3° |
NAL | CAG | CAI | 106.9° | 109.3° |
NAL | CAG | H3 | 110.1° | 109.5° |
NAL | CAG | H4 | 110.1° | 109.5° |
CAG | NAL | H5 | 108.8° | 111.0° |
NAL | CAH | CAJ | 111.4° | 109.3° |
CAH | NAL | H5 | 108.8° | 111.0° |
NAL | CAH | H7 | 109.0° | 109.5° |
NAL | CAH | H8 | 109.0° | 109.5° |
NAT | CAI | CAG | 110.6° | 108.6° |
CAI | NAT | CAO | 125.4° | 120.9° |
CAI | NAT | CAJ | 119.8° | 118.2° |
NAT | CAI | H1 | 109.2° | 109.6° |
NAT | CAI | H2 | 109.2° | 109.6° |
CAG | CAI | H1 | 109.2° | 109.7° |
CAG | CAI | H2 | 109.2° | 109.7° |
CAI | CAG | H3 | 110.1° | 109.5° |
CAI | CAG | H4 | 110.1° | 109.5° |
CAO | CAQ | NAM | 126.7° | 125.1° |
CAQ | CAO | NAT | 125.6° | 120.0° |
CAQ | CAO | OAC | 114.2° | 120.0° |
CAQ | NAM | H11 | 126.8° | 126.5° |
CAO | NAT | CAJ | 114.7° | 120.9° |
NAT | CAO | OAC | 119.6° | 120.0° |
NAT | CAJ | CAH | 117.9° | 108.5° |
NAT | CAJ | H9 | 107.3° | 109.7° |
NAT | CAJ | H10 | 107.3° | 109.8° |
CAJ | CAH | H7 | 109.0° | 109.5° |
CAJ | CAH | H8 | 109.0° | 109.5° |
CAH | CAJ | H9 | 107.3° | 109.6° |
CAH | CAJ | H10 | 107.3° | 109.6° |
H1 | CAI | H2 | 109.5° | 109.7° |
H3 | CAG | H4 | 109.5° | 109.4° |
H7 | CAH | H8 | 109.5° | 109.5° |
H9 | CAJ | H10 | 109.5° | 109.6° |
H16 | NAA | H17 | 120.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAB | CAN | NAA | CAP | 175.9° | 179.9° |
OAB | CAN | CAP | CAE | 19.9° | 179.9° |
OAB | CAN | CAP | CAS | 159.5° | 0.3° |
OAB | CAN | NAA | H16 | 0.0° | 180.0° |
OAB | CAN | NAA | H17 | 180.0° | 0.1° |
NAA | CAN | CAP | CAE | 156.0° | 0.0° |
NAA | CAN | CAP | CAS | 24.6° | 179.6° |
CAN | NAA | H16 | H17 | 180.0° | 179.9° |
CAN | CAP | CAE | CAS | 179.5° | 179.6° |
CAN | CAP | CAE | CAD | 179.7° | 180.0° |
CAN | CAP | CAS | NAK | 0.2° | 0.2° |
CAN | CAP | CAS | CAR | 179.3° | 180.0° |
CAN | CAP | CAE | H15 | 0.3° | 0.2° |
CAP | CAN | NAA | H16 | 175.9° | 0.1° |
CAP | CAN | NAA | H17 | 4.0° | 180.0° |
CAP | CAE | CAD | H15 | 180.0° | 179.8° |
CAE | CAP | CAS | NAK | 179.7° | 179.8° |
CAE | CAP | CAS | CAR | 0.1° | 0.3° |
CAP | CAE | CAD | CAF | 0.2° | 0.2° |
CAP | CAE | CAD | H14 | 179.8° | 179.8° |
CAS | CAP | CAE | CAD | 0.2° | 0.4° |
CAP | CAS | NAK | CAR | 179.6° | 179.8° |
CAP | CAS | NAK | CAQ | 178.1° | 180.0° |
CAP | CAS | CAR | CAF | 0.5° | 0.1° |
CAP | CAS | CAR | NAM | 179.8° | 179.8° |
CAS | CAP | CAE | H15 | 179.8° | 179.8° |
CAE | CAD | CAF | H14 | 180.0° | 180.0° |
CAE | CAD | CAF | CAR | 0.2° | 0.0° |
CAE | CAD | CAF | H13 | 179.7° | 180.0° |
NAK | CAS | CAR | CAF | 179.8° | 180.0° |
NAK | CAS | CAR | NAM | 0.5° | 0.0° |
CAS | NAK | CAQ | CAO | 176.7° | 180.0° |
CAS | NAK | CAQ | NAM | 3.3° | 0.3° |
CAS | CAR | CAF | CAD | 0.6° | 0.0° |
CAR | CAS | NAK | CAQ | 2.3° | 0.2° |
CAS | CAR | CAF | NAM | 179.1° | 179.9° |
CAS | CAR | NAM | CAQ | 1.4° | 0.2° |
CAS | CAR | NAM | H11 | 178.6° | 179.9° |
CAS | CAR | CAF | H13 | 179.4° | 180.0° |
CAD | CAF | CAR | H13 | 180.0° | 180.0° |
CAD | CAF | CAR | NAM | 179.7° | 180.0° |
CAF | CAD | CAE | H15 | 179.8° | 180.0° |
NAK | CAQ | NAM | CAR | 2.8° | 0.3° |
NAK | CAQ | CAO | NAM | 172.2° | 179.7° |
NAK | CAQ | CAO | NAT | 28.6° | 7.6° |
NAK | CAQ | CAO | OAC | 142.8° | 172.4° |
NAK | CAQ | NAM | H11 | 177.2° | 179.8° |
CAF | CAR | NAM | CAQ | 177.8° | 179.9° |
CAF | CAR | NAM | H11 | 2.2° | 0.1° |
CAR | CAF | CAD | H14 | 179.7° | 180.0° |
CAR | NAM | CAQ | CAO | 176.1° | 179.9° |
CAR | NAM | CAQ | H11 | 180.0° | 179.9° |
NAM | CAR | CAF | H13 | 0.3° | 0.0° |
CAG | NAL | CAH | H5 | 120.4° | 124.2° |
NAL | CAG | CAI | NAT | 58.2° | 53.8° |
NAL | CAG | CAI | H3 | 119.6° | 120.0° |
NAL | CAG | CAI | H4 | 119.6° | 120.0° |
CAG | NAL | CAH | CAJ | 46.5° | 63.1° |
NAL | CAG | CAI | H1 | 178.4° | 173.5° |
NAL | CAG | CAI | H2 | 62.0° | 65.9° |
NAL | CAG | H3 | H4 | 121.2° | 120.0° |
CAG | NAL | CAH | H7 | 73.8° | 176.9° |
CAG | NAL | CAH | H8 | 166.8° | 56.8° |
CAH | NAL | CAG | CAI | 75.9° | 63.1° |
NAL | CAH | CAJ | NAT | 6.2° | 53.8° |
NAL | CAH | CAJ | H7 | 120.3° | 120.0° |
NAL | CAH | CAJ | H8 | 120.3° | 119.9° |
CAH | NAL | CAG | H3 | 164.6° | 176.9° |
CAH | NAL | CAG | H4 | 43.7° | 56.9° |
NAL | CAH | H7 | H8 | 119.2° | 120.1° |
NAL | CAH | CAJ | H9 | 115.0° | 65.9° |
NAL | CAH | CAJ | H10 | 127.4° | 173.7° |
NAT | CAI | CAG | H1 | 120.2° | 119.7° |
NAT | CAI | CAG | H2 | 120.2° | 119.7° |
CAI | NAT | CAO | CAQ | 9.8° | 173.0° |
CAI | NAT | CAO | CAJ | 177.0° | 180.0° |
CAI | NAT | CAO | OAC | 179.2° | 6.9° |
CAI | NAT | CAJ | CAH | 6.7° | 51.2° |
NAT | CAI | H1 | H2 | 119.5° | 120.4° |
NAT | CAI | CAG | H3 | 177.8° | 173.8° |
NAT | CAI | CAG | H4 | 61.4° | 66.1° |
CAI | NAT | CAJ | H9 | 127.9° | 68.5° |
CAI | NAT | CAJ | H10 | 114.4° | 171.0° |
CAG | CAI | NAT | CAO | 157.0° | 128.8° |
CAG | CAI | NAT | CAJ | 19.8° | 51.2° |
CAG | CAI | H1 | H2 | 119.5° | 120.5° |
CAI | CAG | H3 | H4 | 121.2° | 120.1° |
CAI | CAG | NAL | H5 | 163.7° | 61.0° |
CAQ | CAO | NAT | OAC | 171.0° | 179.9° |
CAQ | CAO | NAT | CAJ | 173.2° | 7.0° |
CAO | CAQ | NAM | H11 | 4.0° | 0.0° |
NAM | CAQ | CAO | NAT | 159.2° | 172.7° |
NAM | CAQ | CAO | OAC | 29.4° | 7.4° |
CAO | NAT | CAJ | CAH | 176.1° | 128.8° |
CAO | NAT | CAI | H1 | 36.8° | 9.1° |
CAO | NAT | CAI | H2 | 82.8° | 111.4° |
CAO | NAT | CAJ | H9 | 54.9° | 111.5° |
CAO | NAT | CAJ | H10 | 62.7° | 9.1° |
CAJ | NAT | CAO | OAC | 2.2° | 173.1° |
NAT | CAJ | CAH | H9 | 121.2° | 119.8° |
NAT | CAJ | CAH | H10 | 121.2° | 119.9° |
CAJ | NAT | CAI | H1 | 140.0° | 171.0° |
CAJ | NAT | CAI | H2 | 100.3° | 68.5° |
NAT | CAJ | CAH | H7 | 114.1° | 173.8° |
NAT | CAJ | CAH | H8 | 126.5° | 66.1° |
NAT | CAJ | H9 | H10 | 116.2° | 120.6° |
CAJ | CAH | NAL | H5 | 166.9° | 61.1° |
CAJ | CAH | H7 | H8 | 119.1° | 120.1° |
CAH | CAJ | H9 | H10 | 116.1° | 120.4° |
H1 | CAI | CAG | H3 | 62.0° | 66.5° |
H1 | CAI | CAG | H4 | 58.8° | 53.6° |
H2 | CAI | CAG | H3 | 57.6° | 54.1° |
H2 | CAI | CAG | H4 | 178.5° | 174.1° |
H3 | CAG | NAL | H5 | 44.2° | 59.0° |
H4 | CAG | NAL | H5 | 76.7° | 179.0° |
H5 | NAL | CAH | H7 | 46.6° | 58.9° |
H5 | NAL | CAH | H8 | 72.8° | 179.0° |
H7 | CAH | CAJ | H9 | 124.7° | 54.1° |
H7 | CAH | CAJ | H10 | 7.1° | 66.3° |
H8 | CAH | CAJ | H9 | 5.3° | 174.2° |
H8 | CAH | CAJ | H10 | 112.3° | 53.8° |
H13 | CAF | CAD | H14 | 0.3° | 0.0° |
H14 | CAD | CAE | H15 | 0.2° | 0.0° |