VNT
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
NAU | NAV | sing | 1.29Å | 1.12Å | Aromatic |
NAU | CBF | doub | 1.31Å | 1.33Å | Aromatic |
NAV | CBG | doub | 1.31Å | 1.33Å | Aromatic |
CAH | CAF | doub | 1.38Å | 1.39Å | Aromatic |
CAH | CBC | sing | 1.40Å | 1.39Å | Aromatic |
CAF | CAD | sing | 1.38Å | 1.39Å | Aromatic |
CBF | CBC | sing | 1.48Å | 1.32Å | |
CBF | OAX | sing | 1.35Å | 1.14Å | Aromatic |
CBC | CAG | doub | 1.40Å | 1.39Å | Aromatic |
CBG | OAX | sing | 1.35Å | 1.17Å | Aromatic |
CBG | CBD | sing | 1.48Å | 1.31Å | |
CAD | CAE | doub | 1.38Å | 1.39Å | Aromatic |
CAM | CBD | doub | 1.40Å | 1.39Å | Aromatic |
CAM | CAK | sing | 1.38Å | 1.39Å | Aromatic |
CBD | CAL | sing | 1.40Å | 1.39Å | Aromatic |
CAG | CAE | sing | 1.38Å | 1.38Å | Aromatic |
CAK | CBB | doub | 1.40Å | 1.39Å | Aromatic |
CAI | CAN | doub | 1.38Å | 1.39Å | Aromatic |
CAI | CAZ | sing | 1.38Å | 1.39Å | Aromatic |
CLB | CAZ | sing | 1.74Å | 1.70Å | |
CAN | CBE | sing | 1.38Å | 1.39Å | Aromatic |
CAL | CAJ | doub | 1.38Å | 1.38Å | Aromatic |
CAZ | CAQ | doub | 1.38Å | 1.39Å | Aromatic |
CBB | CAJ | sing | 1.40Å | 1.38Å | Aromatic |
CBB | CAY | sing | 1.48Å | 1.38Å | |
NAW | CAY | sing | 1.35Å | 1.33Å | |
NAW | CBH | sing | 1.47Å | 1.46Å | |
CBE | CBH | sing | 1.51Å | 1.40Å | |
CBE | CBA | doub | 1.38Å | 1.39Å | Aromatic |
CAR | CBH | sing | 1.53Å | 1.52Å | |
CAR | NBI | sing | 1.46Å | 1.43Å | |
CAY | OAA | doub | 1.22Å | 1.23Å | |
CAQ | CBA | sing | 1.38Å | 1.39Å | Aromatic |
CAP | NBI | sing | 1.34Å | 1.32Å | Aromatic |
CAP | NAS | doub | 1.31Å | 1.31Å | Aromatic |
CBA | CLC | sing | 1.74Å | 1.66Å | |
NBI | NAT | sing | 1.40Å | 1.20Å | Aromatic |
NAS | CAO | sing | 1.33Å | 1.32Å | Aromatic |
NAT | CAO | doub | 1.31Å | 1.33Å | Aromatic |
CAQ | H1 | sing | 1.08Å | 1.08Å | |
CAI | H2 | sing | 1.08Å | 1.08Å | |
CAN | H3 | sing | 1.08Å | 1.08Å | |
CBH | H4 | sing | 1.09Å | 1.10Å | |
CAR | H5 | sing | 1.09Å | 1.10Å | |
CAR | H6 | sing | 1.09Å | 1.10Å | |
CAO | H7 | sing | 1.08Å | 1.08Å | |
CAP | H8 | sing | 1.08Å | 1.08Å | |
NAW | H9 | sing | 0.97Å | 1.00Å | |
CAJ | H10 | sing | 1.08Å | 1.08Å | |
CAL | H11 | sing | 1.08Å | 1.08Å | |
CAK | H12 | sing | 1.08Å | 1.08Å | |
CAM | H13 | sing | 1.08Å | 1.08Å | |
CAG | H14 | sing | 1.08Å | 1.08Å | |
CAE | H15 | sing | 1.08Å | 1.08Å | |
CAD | H16 | sing | 1.08Å | 1.08Å | |
CAF | H17 | sing | 1.08Å | 1.08Å | |
CAH | H18 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
NAV | NAU | CBF | 106.2° | 109.4° |
NAU | NAV | CBG | 105.2° | 109.4° |
NAU | CBF | CBC | 125.3° | 126.3° |
NAU | CBF | OAX | 111.7° | 107.4° |
NAV | CBG | OAX | 111.6° | 107.4° |
NAV | CBG | CBD | 126.4° | 126.3° |
CAF | CAH | CBC | 119.9° | 119.8° |
CAH | CAF | CAD | 119.9° | 120.2° |
CAH | CAF | H17 | 120.1° | 119.9° |
CAF | CAH | H18 | 120.1° | 120.1° |
CAH | CBC | CBF | 119.6° | 120.2° |
CAH | CBC | CAG | 120.2° | 119.7° |
CBC | CAH | H18 | 120.1° | 120.0° |
CAF | CAD | CAE | 120.3° | 120.2° |
CAF | CAD | H16 | 119.8° | 119.9° |
CAD | CAF | H17 | 120.1° | 119.9° |
CBC | CBF | OAX | 123.0° | 126.3° |
CBF | CBC | CAG | 120.2° | 120.1° |
CBF | OAX | CBG | 105.3° | 106.4° |
CBC | CAG | CAE | 120.0° | 119.8° |
CBC | CAG | H14 | 120.0° | 120.1° |
OAX | CBG | CBD | 121.9° | 126.3° |
CBG | CBD | CAM | 120.5° | 120.0° |
CBG | CBD | CAL | 119.0° | 120.0° |
CAD | CAE | CAG | 119.8° | 120.2° |
CAD | CAE | H15 | 120.1° | 119.9° |
CAE | CAD | H16 | 119.9° | 119.9° |
CBD | CAM | CAK | 119.4° | 120.0° |
CAM | CBD | CAL | 120.5° | 120.0° |
CBD | CAM | H13 | 120.3° | 119.9° |
CAM | CAK | CBB | 119.9° | 120.0° |
CAM | CAK | H12 | 120.1° | 120.0° |
CAK | CAM | H13 | 120.3° | 120.0° |
CBD | CAL | CAJ | 119.8° | 120.0° |
CBD | CAL | H11 | 120.1° | 120.0° |
CAE | CAG | H14 | 120.0° | 120.1° |
CAG | CAE | H15 | 120.1° | 119.9° |
CAK | CBB | CAJ | 120.2° | 120.1° |
CAK | CBB | CAY | 122.6° | 120.0° |
CBB | CAK | H12 | 120.1° | 120.0° |
CAN | CAI | CAZ | 120.1° | 120.0° |
CAI | CAN | CBE | 120.3° | 120.0° |
CAN | CAI | H2 | 120.0° | 120.0° |
CAI | CAN | H3 | 119.9° | 120.0° |
CAI | CAZ | CLB | 120.6° | 120.0° |
CAI | CAZ | CAQ | 119.8° | 120.0° |
CAZ | CAI | H2 | 119.9° | 120.0° |
CLB | CAZ | CAQ | 119.6° | 120.0° |
CAN | CBE | CBH | 121.0° | 120.0° |
CAN | CBE | CBA | 119.4° | 120.0° |
CBE | CAN | H3 | 119.9° | 120.0° |
CAL | CAJ | CBB | 120.2° | 120.0° |
CAL | CAJ | H10 | 119.9° | 120.0° |
CAJ | CAL | H11 | 120.1° | 120.1° |
CAZ | CAQ | CBA | 120.0° | 120.0° |
CAZ | CAQ | H1 | 120.0° | 120.0° |
CAJ | CBB | CAY | 117.2° | 120.0° |
CBB | CAJ | H10 | 119.9° | 120.1° |
CBB | CAY | NAW | 116.6° | 120.0° |
CBB | CAY | OAA | 120.2° | 120.0° |
CAY | NAW | CBH | 119.3° | 120.0° |
NAW | CAY | OAA | 123.1° | 120.0° |
CAY | NAW | H9 | 120.3° | 120.0° |
NAW | CBH | CBE | 112.7° | 109.5° |
NAW | CBH | CAR | 104.0° | 109.5° |
NAW | CBH | H4 | 109.5° | 109.4° |
CBH | NAW | H9 | 120.4° | 120.0° |
CBH | CBE | CBA | 119.6° | 120.0° |
CBE | CBH | CAR | 111.6° | 109.5° |
CBE | CBH | H4 | 110.3° | 109.5° |
CBE | CBA | CAQ | 120.4° | 120.0° |
CBE | CBA | CLC | 120.4° | 120.0° |
CBH | CAR | NBI | 114.3° | 109.5° |
CAR | CBH | H4 | 108.6° | 109.5° |
CBH | CAR | H5 | 108.3° | 109.4° |
CBH | CAR | H6 | 108.3° | 109.5° |
CAR | NBI | CAP | 119.0° | 126.8° |
CAR | NBI | NAT | 129.8° | 126.8° |
NBI | CAR | H5 | 108.2° | 109.5° |
NBI | CAR | H6 | 108.2° | 109.5° |
CAQ | CBA | CLC | 119.2° | 120.0° |
CBA | CAQ | H1 | 120.0° | 120.0° |
NBI | CAP | NAS | 106.6° | 108.1° |
CAP | NBI | NAT | 111.2° | 106.4° |
NBI | CAP | H8 | 126.7° | 125.9° |
CAP | NAS | CAO | 106.4° | 109.8° |
NAS | CAP | H8 | 126.7° | 126.0° |
NBI | NAT | CAO | 108.8° | 106.8° |
NAS | CAO | NAT | 107.0° | 109.0° |
NAS | CAO | H7 | 126.5° | 125.5° |
NAT | CAO | H7 | 126.5° | 125.5° |
H5 | CAR | H6 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
NAV | NAU | CBF | CBC | 179.9° | 180.0° |
NAV | NAU | CBF | OAX | 0.0° | 0.3° |
NAU | NAV | CBG | OAX | 0.5° | 0.0° |
NAU | NAV | CBG | CBD | 179.8° | 179.8° |
CBF | NAU | NAV | CBG | 0.3° | 0.2° |
NAU | CBF | CBC | CAH | 24.4° | 179.7° |
NAU | CBF | CBC | OAX | 179.9° | 179.6° |
NAU | CBF | CBC | CAG | 157.1° | 0.1° |
NAU | CBF | OAX | CBG | 0.4° | 0.3° |
NAV | CBG | OAX | CBF | 0.5° | 0.2° |
NAV | CBG | OAX | CBD | 179.3° | 179.7° |
NAV | CBG | CBD | CAM | 36.3° | 0.3° |
NAV | CBG | CBD | CAL | 145.9° | 178.9° |
CAF | CAH | CBC | H18 | 180.0° | 179.5° |
CAH | CAF | CAD | H17 | 180.0° | 179.8° |
CAF | CAH | CBC | CBF | 179.3° | 179.8° |
CAF | CAH | CBC | CAG | 0.8° | 0.5° |
CAH | CAF | CAD | CAE | 0.2° | 0.3° |
CAH | CAF | CAD | H16 | 179.8° | 179.8° |
CBC | CAH | CAF | CAD | 0.4° | 0.5° |
CAH | CBC | CBF | CAG | 178.6° | 179.8° |
CAH | CBC | CBF | OAX | 155.7° | 0.7° |
CAH | CBC | CAG | CAE | 0.9° | 0.2° |
CAH | CBC | CAG | H14 | 179.2° | 179.8° |
CBC | CAH | CAF | H17 | 179.6° | 179.7° |
CAF | CAD | CAE | H16 | 180.0° | 179.9° |
CAF | CAD | CAE | CAG | 0.3° | 0.0° |
CAF | CAD | CAE | H15 | 179.7° | 180.0° |
CAD | CAF | CAH | H18 | 179.6° | 180.0° |
CBC | CBF | OAX | CBG | 179.6° | 180.0° |
CBF | CBC | CAG | CAE | 179.4° | 180.0° |
CBF | CBC | CAG | H14 | 0.6° | 0.0° |
CBF | CBC | CAH | H18 | 0.7° | 0.2° |
OAX | CBF | CBC | CAG | 22.9° | 179.5° |
CBF | OAX | CBG | CBD | 179.8° | 180.0° |
CBC | CAG | CAE | CAD | 0.6° | 0.0° |
CBC | CAG | CAE | H14 | 180.0° | 180.0° |
CBC | CAG | CAE | H15 | 179.4° | 180.0° |
CAG | CBC | CAH | H18 | 179.2° | 180.0° |
OAX | CBG | CBD | CAM | 143.0° | 180.0° |
OAX | CBG | CBD | CAL | 34.9° | 0.8° |
CBG | CBD | CAM | CAL | 177.9° | 179.2° |
CBG | CBD | CAM | CAK | 179.0° | 180.0° |
CBG | CBD | CAL | CAJ | 179.2° | 179.8° |
CBG | CBD | CAL | H11 | 0.8° | 0.3° |
CBG | CBD | CAM | H13 | 1.0° | 0.8° |
CAD | CAE | CAG | H15 | 180.0° | 180.0° |
CAD | CAE | CAG | H14 | 179.4° | 180.0° |
CAE | CAD | CAF | H17 | 179.8° | 179.9° |
CBD | CAM | CAK | H13 | 180.0° | 179.1° |
CBD | CAM | CAK | CBB | 0.9° | 0.5° |
CAM | CBD | CAL | CAJ | 1.3° | 0.6° |
CAM | CBD | CAL | H11 | 178.7° | 179.5° |
CBD | CAM | CAK | H12 | 179.1° | 179.4° |
CAK | CAM | CBD | CAL | 1.1° | 0.8° |
CAM | CAK | CBB | H12 | 180.0° | 180.0° |
CAM | CAK | CBB | CAJ | 0.9° | 0.0° |
CAM | CAK | CBB | CAY | 179.5° | 179.7° |
CBD | CAL | CAJ | H11 | 180.0° | 179.9° |
CBD | CAL | CAJ | CBB | 1.3° | 0.0° |
CBD | CAL | CAJ | H10 | 178.7° | 179.9° |
CAL | CBD | CAM | H13 | 178.9° | 180.0° |
CAG | CAE | CAD | H16 | 179.7° | 180.0° |
CAK | CBB | CAJ | CAL | 1.1° | 0.3° |
CAK | CBB | CAJ | CAY | 178.6° | 179.7° |
CAK | CBB | CAY | NAW | 30.9° | 0.3° |
CAK | CBB | CAY | OAA | 152.6° | 179.7° |
CAK | CBB | CAJ | H10 | 178.9° | 179.6° |
CBB | CAK | CAM | H13 | 179.1° | 179.7° |
CAN | CAI | CAZ | H2 | 180.0° | 179.6° |
CAN | CAI | CAZ | CLB | 179.8° | 180.0° |
CAI | CAN | CBE | H3 | 180.0° | 179.7° |
CAN | CAI | CAZ | CAQ | 0.2° | 0.1° |
CAI | CAN | CBE | CBH | 179.5° | 179.9° |
CAI | CAN | CBE | CBA | 0.7° | 0.6° |
CAI | CAZ | CLB | CAQ | 179.6° | 180.0° |
CAZ | CAI | CAN | CBE | 0.3° | 0.3° |
CAI | CAZ | CAQ | CBA | 0.3° | 0.0° |
CAI | CAZ | CAQ | H1 | 179.7° | 180.0° |
CAZ | CAI | CAN | H3 | 179.7° | 180.0° |
CLB | CAZ | CAQ | CBA | 179.9° | 180.0° |
CLB | CAZ | CAQ | H1 | 0.1° | 0.0° |
CLB | CAZ | CAI | H2 | 0.1° | 0.3° |
CAN | CBE | CBH | NAW | 83.3° | 24.6° |
CAN | CBE | CBH | CBA | 178.8° | 179.5° |
CAN | CBE | CBH | CAR | 33.2° | 95.4° |
CAN | CBE | CBA | CAQ | 0.6° | 0.5° |
CAN | CBE | CBA | CLC | 179.6° | 179.7° |
CBE | CAN | CAI | H2 | 179.8° | 180.0° |
CAN | CBE | CBH | H4 | 154.0° | 144.6° |
CAL | CAJ | CBB | H10 | 180.0° | 179.9° |
CAL | CAJ | CBB | CAY | 179.7° | 180.0° |
CAZ | CAQ | CBA | CBE | 0.2° | 0.3° |
CAZ | CAQ | CBA | H1 | 180.0° | 180.0° |
CAZ | CAQ | CBA | CLC | 179.9° | 179.9° |
CAQ | CAZ | CAI | H2 | 179.7° | 179.7° |
CAJ | CBB | CAY | NAW | 147.6° | 180.0° |
CAJ | CBB | CAY | OAA | 28.8° | 0.0° |
CBB | CAJ | CAL | H11 | 178.7° | 180.0° |
CAJ | CBB | CAK | H12 | 179.1° | 180.0° |
CBB | CAY | NAW | OAA | 176.3° | 179.9° |
CBB | CAY | NAW | CBH | 171.4° | 180.0° |
CBB | CAY | NAW | H9 | 8.6° | 0.0° |
CAY | CBB | CAJ | H10 | 0.2° | 0.1° |
CAY | CBB | CAK | H12 | 0.5° | 0.3° |
CAY | NAW | CBH | H9 | 180.0° | 180.0° |
CAY | NAW | CBH | CBE | 150.9° | 87.6° |
CAY | NAW | CBH | CAR | 88.1° | 152.3° |
CAY | NAW | CBH | H4 | 27.8° | 32.4° |
NAW | CBH | CBE | CAR | 116.5° | 120.0° |
NAW | CBH | CBE | H4 | 122.7° | 120.0° |
NAW | CBH | CBE | CBA | 97.9° | 154.9° |
NAW | CBH | CAR | H4 | 116.5° | 119.9° |
NAW | CBH | CAR | NBI | 159.4° | 65.0° |
CBH | NAW | CAY | OAA | 4.9° | 0.0° |
NAW | CBH | CAR | H5 | 38.7° | 55.0° |
NAW | CBH | CAR | H6 | 79.9° | 175.0° |
CBE | CBH | CAR | H4 | 121.8° | 120.0° |
CBE | CBH | CAR | NBI | 78.8° | 175.0° |
CBH | CBE | CBA | CAQ | 179.5° | 180.0° |
CBH | CBE | CBA | CLC | 0.8° | 0.2° |
CBH | CBE | CAN | H3 | 0.5° | 0.2° |
CBE | CBH | CAR | H5 | 160.5° | 65.0° |
CBE | CBH | CAR | H6 | 41.8° | 55.0° |
CBE | CBH | NAW | H9 | 29.1° | 92.3° |
CBA | CBE | CBH | CAR | 145.6° | 85.1° |
CBE | CBA | CAQ | CLC | 179.7° | 179.8° |
CBE | CBA | CAQ | H1 | 179.9° | 179.8° |
CBA | CBE | CAN | H3 | 179.3° | 179.7° |
CBA | CBE | CBH | H4 | 24.8° | 34.9° |
CBH | CAR | NBI | H5 | 120.7° | 120.0° |
CBH | CAR | NBI | H6 | 120.7° | 120.0° |
CBH | CAR | NBI | CAP | 119.4° | 124.7° |
CBH | CAR | NBI | NAT | 63.1° | 55.0° |
CBH | CAR | H5 | H6 | 117.9° | 120.0° |
CAR | CBH | NAW | H9 | 91.9° | 27.7° |
CAR | NBI | CAP | NAT | 177.9° | 179.8° |
CAR | NBI | CAP | NAS | 178.6° | 179.8° |
CAR | NBI | NAT | CAO | 178.5° | 180.0° |
NBI | CAR | CBH | H4 | 42.9° | 55.0° |
NBI | CAR | H5 | H6 | 117.8° | 120.1° |
CAR | NBI | CAP | H8 | 1.4° | 0.0° |
OAA | CAY | NAW | H9 | 175.1° | 180.0° |
NBI | CAP | NAS | H8 | 180.0° | 179.8° |
NBI | CAP | NAS | CAO | 0.2° | 0.4° |
CAP | NBI | NAT | CAO | 0.9° | 0.2° |
CAP | NBI | CAR | H5 | 119.9° | 4.8° |
CAP | NBI | CAR | H6 | 1.3° | 115.3° |
NAS | CAP | NBI | NAT | 0.7° | 0.4° |
CAP | NAS | CAO | NAT | 0.3° | 0.2° |
CAP | NAS | CAO | H7 | 179.6° | 179.7° |
CLC | CBA | CAQ | H1 | 0.1° | 0.0° |
NBI | NAT | CAO | NAS | 0.8° | 0.0° |
NAT | NBI | CAR | H5 | 57.6° | 175.0° |
NAT | NBI | CAR | H6 | 176.2° | 65.0° |
NBI | NAT | CAO | H7 | 179.2° | 180.0° |
NAT | NBI | CAP | H8 | 179.3° | 179.8° |
NAS | CAO | NAT | H7 | 180.0° | 180.0° |
CAO | NAS | CAP | H8 | 179.8° | 179.8° |
H2 | CAI | CAN | H3 | 0.2° | 0.3° |
H4 | CBH | CAR | H5 | 77.8° | 175.0° |
H4 | CBH | CAR | H6 | 163.6° | 65.1° |
H4 | CBH | NAW | H9 | 152.2° | 147.7° |
H10 | CAJ | CAL | H11 | 1.3° | 0.1° |
H12 | CAK | CAM | H13 | 0.9° | 0.3° |
H14 | CAG | CAE | H15 | 0.6° | 0.0° |
H15 | CAE | CAD | H16 | 0.3° | 0.1° |
H16 | CAD | CAF | H17 | 0.2° | 0.0° |
H17 | CAF | CAH | H18 | 0.4° | 0.2° |