HNY
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAC | CAS | doub | 1.22Å | 1.24Å | |
OAE | CAP | sing | 1.36Å | 1.37Å | |
CAS | CAP | sing | 1.47Å | 1.40Å | |
CAS | CAJ | sing | 1.41Å | 1.39Å | |
CAP | CAR | doub | 1.37Å | 1.41Å | |
CAJ | CAO | doub | 1.38Å | 1.40Å | |
OAB | CAM | doub | 1.22Å | 1.25Å | |
CAR | CAM | sing | 1.47Å | 1.39Å | |
CAR | NAL | sing | 1.37Å | 1.39Å | |
CAM | OAD | sing | 1.35Å | 1.27Å | |
CAA | CAK | sing | 1.53Å | 1.55Å | |
CAO | NAL | sing | 1.36Å | 1.37Å | |
CAO | CAQ | sing | 1.48Å | 1.39Å | |
CAK | CAN | sing | 1.51Å | 1.39Å | |
CAQ | CAN | doub | 1.40Å | 1.42Å | Aromatic |
CAQ | CAI | sing | 1.40Å | 1.40Å | Aromatic |
CAN | CAH | sing | 1.38Å | 1.40Å | Aromatic |
CAI | CAG | doub | 1.38Å | 1.40Å | Aromatic |
CAH | CAF | doub | 1.38Å | 1.40Å | Aromatic |
CAG | CAF | sing | 1.38Å | 1.40Å | Aromatic |
OAD | H1 | sing | 0.97Å | 0.95Å | |
OAE | H2 | sing | 0.97Å | 0.95Å | |
CAJ | H3 | sing | 1.08Å | 1.08Å | |
CAI | H5 | sing | 1.08Å | 1.08Å | |
CAG | H6 | sing | 1.08Å | 1.08Å | |
CAF | H7 | sing | 1.08Å | 1.08Å | |
CAH | H8 | sing | 1.08Å | 1.08Å | |
CAK | H9 | sing | 1.09Å | 1.10Å | |
CAK | H10 | sing | 1.09Å | 1.10Å | |
CAA | H11 | sing | 1.09Å | 1.10Å | |
CAA | H12 | sing | 1.09Å | 1.10Å | |
CAA | H13 | sing | 1.09Å | 1.10Å | |
NAL | H14 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAC | CAS | CAP | 123.4° | 120.9° |
OAC | CAS | CAJ | 119.1° | 120.8° |
OAE | CAP | CAS | 118.6° | 120.6° |
OAE | CAP | CAR | 120.2° | 120.6° |
CAP | OAE | H2 | 109.5° | 114.0° |
CAP | CAS | CAJ | 117.5° | 118.3° |
CAS | CAP | CAR | 121.2° | 118.8° |
CAS | CAJ | CAO | 121.5° | 119.4° |
CAS | CAJ | H3 | 119.2° | 120.3° |
CAP | CAR | CAM | 124.4° | 119.8° |
CAP | CAR | NAL | 119.6° | 120.4° |
CAJ | CAO | NAL | 120.4° | 121.2° |
CAJ | CAO | CAQ | 121.2° | 119.4° |
CAO | CAJ | H3 | 119.2° | 120.3° |
OAB | CAM | CAR | 119.1° | 120.0° |
OAB | CAM | OAD | 120.2° | 120.0° |
CAM | CAR | NAL | 116.1° | 119.8° |
CAR | CAM | OAD | 120.7° | 120.0° |
CAR | NAL | CAO | 119.9° | 121.9° |
CAR | NAL | H14 | 120.1° | 119.0° |
CAM | OAD | H1 | 109.5° | 117.0° |
CAA | CAK | CAN | 110.8° | 109.5° |
CAA | CAK | H9 | 109.1° | 109.5° |
CAA | CAK | H10 | 109.1° | 109.5° |
CAK | CAA | H11 | 109.5° | 109.5° |
CAK | CAA | H12 | 109.4° | 109.5° |
CAK | CAA | H13 | 109.5° | 109.4° |
NAL | CAO | CAQ | 118.4° | 119.4° |
CAO | NAL | H14 | 120.1° | 119.1° |
CAO | CAQ | CAN | 122.3° | 120.1° |
CAO | CAQ | CAI | 117.2° | 120.1° |
CAK | CAN | CAQ | 124.6° | 120.1° |
CAK | CAN | CAH | 117.0° | 120.0° |
CAN | CAK | H9 | 109.1° | 109.5° |
CAN | CAK | H10 | 109.1° | 109.4° |
CAN | CAQ | CAI | 120.5° | 119.7° |
CAQ | CAN | CAH | 118.4° | 119.9° |
CAQ | CAI | CAG | 120.2° | 119.8° |
CAQ | CAI | H5 | 119.9° | 120.1° |
CAN | CAH | CAF | 121.0° | 120.1° |
CAN | CAH | H8 | 119.5° | 119.9° |
CAI | CAG | CAF | 119.7° | 120.2° |
CAG | CAI | H5 | 119.9° | 120.1° |
CAI | CAG | H6 | 120.2° | 119.9° |
CAH | CAF | CAG | 120.1° | 120.3° |
CAH | CAF | H7 | 119.9° | 119.8° |
CAF | CAH | H8 | 119.5° | 120.0° |
CAF | CAG | H6 | 120.1° | 119.9° |
CAG | CAF | H7 | 119.9° | 119.9° |
H9 | CAK | H10 | 109.4° | 109.5° |
H11 | CAA | H12 | 109.5° | 109.5° |
H11 | CAA | H13 | 109.5° | 109.5° |
H12 | CAA | H13 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAC | CAS | CAP | OAE | 0.7° | 0.0° |
OAC | CAS | CAP | CAJ | 179.5° | 180.0° |
OAC | CAS | CAP | CAR | 179.3° | 179.9° |
OAC | CAS | CAJ | CAO | 178.4° | 179.8° |
OAC | CAS | CAJ | H3 | 1.6° | 0.1° |
OAE | CAP | CAS | CAR | 180.0° | 179.9° |
OAE | CAP | CAS | CAJ | 179.8° | 179.9° |
OAE | CAP | CAR | CAM | 0.6° | 0.1° |
OAE | CAP | CAR | NAL | 180.0° | 179.8° |
CAP | CAS | CAJ | CAO | 1.1° | 0.2° |
CAS | CAP | CAR | CAM | 179.4° | 180.0° |
CAS | CAP | CAR | NAL | 0.1° | 0.3° |
CAS | CAP | OAE | H2 | 175.7° | 0.1° |
CAP | CAS | CAJ | H3 | 178.9° | 179.9° |
CAJ | CAS | CAP | CAR | 0.2° | 0.0° |
CAS | CAJ | CAO | H3 | 180.0° | 179.7° |
CAS | CAJ | CAO | NAL | 1.8° | 0.3° |
CAS | CAJ | CAO | CAQ | 179.5° | 180.0° |
CAP | CAR | CAM | OAB | 8.9° | 179.7° |
CAP | CAR | CAM | NAL | 179.4° | 179.7° |
CAP | CAR | CAM | OAD | 172.9° | 0.6° |
CAP | CAR | NAL | CAO | 0.7° | 0.3° |
CAR | CAP | OAE | H2 | 4.3° | 180.0° |
CAP | CAR | NAL | H14 | 179.2° | 179.7° |
CAJ | CAO | NAL | CAR | 1.6° | 0.0° |
CAJ | CAO | NAL | CAQ | 178.7° | 179.7° |
CAJ | CAO | CAQ | CAN | 59.3° | 122.2° |
CAJ | CAO | CAQ | CAI | 121.1° | 58.0° |
CAJ | CAO | NAL | H14 | 178.4° | 180.0° |
OAB | CAM | CAR | OAD | 178.2° | 179.7° |
OAB | CAM | CAR | NAL | 170.5° | 0.0° |
OAB | CAM | OAD | H1 | 0.0° | 0.0° |
CAM | CAR | NAL | CAO | 179.8° | 180.0° |
CAR | CAM | OAD | H1 | 178.2° | 179.7° |
CAM | CAR | NAL | H14 | 0.2° | 0.0° |
NAL | CAR | CAM | OAD | 7.7° | 179.7° |
CAR | NAL | CAO | H14 | 180.0° | 180.0° |
CAR | NAL | CAO | CAQ | 179.7° | 179.7° |
CAA | CAK | CAN | H9 | 120.2° | 120.0° |
CAA | CAK | CAN | H10 | 120.2° | 120.0° |
CAA | CAK | CAN | CAQ | 53.3° | 84.9° |
CAA | CAK | CAN | CAH | 129.4° | 94.8° |
CAA | CAK | H9 | H10 | 119.3° | 120.0° |
CAK | CAA | H11 | H12 | 120.0° | 120.0° |
CAK | CAA | H11 | H13 | 120.0° | 119.9° |
CAK | CAA | H12 | H13 | 120.0° | 120.0° |
NAL | CAO | CAQ | CAN | 122.0° | 58.0° |
NAL | CAO | CAQ | CAI | 57.6° | 121.7° |
NAL | CAO | CAJ | H3 | 178.2° | 180.0° |
CAO | CAQ | CAN | CAK | 1.2° | 0.0° |
CAO | CAQ | CAN | CAI | 179.6° | 179.7° |
CAO | CAQ | CAN | CAH | 178.5° | 179.7° |
CAO | CAQ | CAI | CAG | 179.0° | 180.0° |
CAQ | CAO | CAJ | H3 | 0.5° | 0.3° |
CAO | CAQ | CAI | H5 | 1.0° | 0.0° |
CAQ | CAO | NAL | H14 | 0.4° | 0.3° |
CAK | CAN | CAQ | CAH | 177.3° | 179.7° |
CAK | CAN | CAQ | CAI | 179.2° | 179.7° |
CAK | CAN | CAH | CAF | 179.1° | 179.7° |
CAK | CAN | CAH | H8 | 0.9° | 0.1° |
CAN | CAK | H9 | H10 | 119.4° | 120.0° |
CAN | CAK | CAA | H11 | 180.0° | 60.0° |
CAN | CAK | CAA | H12 | 60.0° | 60.0° |
CAN | CAK | CAA | H13 | 60.0° | 180.0° |
CAN | CAQ | CAI | CAG | 1.4° | 0.2° |
CAQ | CAN | CAH | CAF | 1.6° | 0.5° |
CAN | CAQ | CAI | H5 | 178.6° | 179.8° |
CAQ | CAN | CAH | H8 | 178.4° | 179.7° |
CAQ | CAN | CAK | H9 | 67.0° | 155.1° |
CAQ | CAN | CAK | H10 | 173.5° | 35.1° |
CAI | CAQ | CAN | CAH | 1.9° | 0.5° |
CAQ | CAI | CAG | H5 | 180.0° | 180.0° |
CAQ | CAI | CAG | CAF | 0.4° | 0.1° |
CAQ | CAI | CAG | H6 | 179.6° | 180.0° |
CAN | CAH | CAF | H8 | 180.0° | 179.8° |
CAN | CAH | CAF | CAG | 0.6° | 0.2° |
CAN | CAH | CAF | H7 | 179.4° | 179.8° |
CAH | CAN | CAK | H9 | 110.4° | 25.2° |
CAH | CAN | CAK | H10 | 9.2° | 145.2° |
CAI | CAG | CAF | CAH | 0.0° | 0.1° |
CAI | CAG | CAF | H6 | 180.0° | 179.9° |
CAI | CAG | CAF | H7 | 180.0° | 179.9° |
CAH | CAF | CAG | H7 | 180.0° | 180.0° |
CAH | CAF | CAG | H6 | 180.0° | 180.0° |
CAF | CAG | CAI | H5 | 179.6° | 179.9° |
CAG | CAF | CAH | H8 | 179.4° | 180.0° |
H5 | CAI | CAG | H6 | 0.4° | 0.0° |
H6 | CAG | CAF | H7 | 0.0° | 0.0° |
H7 | CAF | CAH | H8 | 0.6° | 0.0° |
H9 | CAK | CAA | H11 | 59.8° | 180.0° |
H9 | CAK | CAA | H12 | 60.2° | 60.0° |
H9 | CAK | CAA | H13 | 179.8° | 60.0° |
H10 | CAK | CAA | H11 | 59.8° | 60.0° |
H10 | CAK | CAA | H12 | 179.8° | 180.0° |
H10 | CAK | CAA | H13 | 60.3° | 60.0° |
H11 | CAA | H12 | H13 | 120.0° | 120.0° |