1VG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAT | NAU | doub | 1.29Å | 1.38Å | Aromatic |
| NAT | NAS | sing | 1.29Å | 1.18Å | Aromatic |
| NAU | NAV | sing | 1.29Å | 1.11Å | Aromatic |
| NAS | CAR | doub | 1.32Å | 1.31Å | Aromatic |
| NAV | CAR | sing | 1.35Å | 1.34Å | Aromatic |
| CAR | CAO | sing | 1.48Å | 1.31Å | |
| CAO | CAN | doub | 1.40Å | 1.39Å | Aromatic |
| CAO | CAP | sing | 1.40Å | 1.39Å | Aromatic |
| CAN | CAM | sing | 1.38Å | 1.39Å | Aromatic |
| CAP | CAQ | doub | 1.38Å | 1.39Å | Aromatic |
| CAM | CAL | doub | 1.40Å | 1.41Å | Aromatic |
| CAQ | CAL | sing | 1.40Å | 1.39Å | Aromatic |
| CAL | CAD | sing | 1.48Å | 1.40Å | |
| CAD | OAE | sing | 1.34Å | 1.35Å | |
| CAD | CAC | doub | 1.36Å | 1.39Å | |
| OAE | CAF | sing | 1.35Å | 1.36Å | |
| CAC | CAB | sing | 1.41Å | 1.38Å | |
| CAF | CAG | doub | 1.39Å | 1.40Å | Aromatic |
| CAF | CAK | sing | 1.40Å | 1.40Å | Aromatic |
| CAG | CAH | sing | 1.38Å | 1.40Å | Aromatic |
| CAB | CAK | sing | 1.48Å | 1.41Å | |
| CAB | OAA | doub | 1.22Å | 1.25Å | |
| CAK | CAJ | doub | 1.39Å | 1.38Å | Aromatic |
| CAH | CAI | doub | 1.39Å | 1.41Å | Aromatic |
| CAJ | CAI | sing | 1.38Å | 1.40Å | Aromatic |
| CAC | H1 | sing | 1.08Å | 1.08Å | |
| CAJ | H3 | sing | 1.08Å | 1.08Å | |
| CAI | H4 | sing | 1.08Å | 1.08Å | |
| CAH | H5 | sing | 1.08Å | 1.08Å | |
| CAG | H6 | sing | 1.08Å | 1.08Å | |
| CAQ | H8 | sing | 1.08Å | 1.08Å | |
| CAP | H9 | sing | 1.08Å | 1.08Å | |
| CAM | H10 | sing | 1.08Å | 1.08Å | |
| CAN | H11 | sing | 1.08Å | 1.08Å | |
| NAV | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAU | NAT | NAS | 111.1° | 109.6° |
| NAT | NAU | NAV | 108.9° | 109.1° |
| NAT | NAS | CAR | 103.6° | 107.9° |
| NAU | NAV | CAR | 107.2° | 107.0° |
| NAU | NAV | H12 | 126.4° | 126.5° |
| NAS | CAR | NAV | 109.1° | 106.4° |
| NAS | CAR | CAO | 130.9° | 126.8° |
| NAV | CAR | CAO | 119.4° | 126.8° |
| CAR | NAV | H12 | 126.4° | 126.5° |
| CAR | CAO | CAN | 118.7° | 120.0° |
| CAR | CAO | CAP | 120.6° | 120.0° |
| CAN | CAO | CAP | 120.0° | 120.0° |
| CAO | CAN | CAM | 119.5° | 120.0° |
| CAO | CAN | H11 | 120.3° | 120.0° |
| CAO | CAP | CAQ | 120.7° | 120.1° |
| CAO | CAP | H9 | 119.7° | 120.0° |
| CAN | CAM | CAL | 120.6° | 120.0° |
| CAN | CAM | H10 | 119.7° | 120.0° |
| CAM | CAN | H11 | 120.3° | 120.0° |
| CAP | CAQ | CAL | 120.1° | 119.9° |
| CAP | CAQ | H8 | 120.0° | 120.1° |
| CAQ | CAP | H9 | 119.6° | 119.9° |
| CAM | CAL | CAQ | 119.1° | 120.0° |
| CAM | CAL | CAD | 118.9° | 120.0° |
| CAL | CAM | H10 | 119.7° | 120.0° |
| CAQ | CAL | CAD | 121.9° | 120.0° |
| CAL | CAQ | H8 | 120.0° | 120.0° |
| CAL | CAD | OAE | 113.3° | 118.7° |
| CAL | CAD | CAC | 125.7° | 118.7° |
| OAE | CAD | CAC | 118.7° | 122.6° |
| CAD | OAE | CAF | 122.2° | 122.3° |
| CAD | CAC | CAB | 120.5° | 119.5° |
| CAD | CAC | H1 | 119.8° | 120.2° |
| OAE | CAF | CAG | 118.5° | 120.9° |
| OAE | CAF | CAK | 118.6° | 119.8° |
| CAC | CAB | CAK | 118.3° | 117.4° |
| CAC | CAB | OAA | 119.1° | 121.3° |
| CAB | CAC | H1 | 119.8° | 120.3° |
| CAG | CAF | CAK | 122.9° | 119.4° |
| CAF | CAG | CAH | 117.4° | 119.9° |
| CAF | CAG | H6 | 121.3° | 120.0° |
| CAF | CAK | CAB | 119.9° | 118.4° |
| CAF | CAK | CAJ | 119.2° | 120.2° |
| CAG | CAH | CAI | 120.3° | 120.7° |
| CAG | CAH | H5 | 119.8° | 119.6° |
| CAH | CAG | H6 | 121.3° | 120.1° |
| CAK | CAB | OAA | 122.1° | 121.3° |
| CAB | CAK | CAJ | 120.9° | 121.3° |
| CAK | CAJ | CAI | 119.4° | 119.6° |
| CAK | CAJ | H3 | 120.3° | 120.2° |
| CAH | CAI | CAJ | 120.8° | 120.3° |
| CAH | CAI | H4 | 119.6° | 119.8° |
| CAI | CAH | H5 | 119.9° | 119.7° |
| CAI | CAJ | H3 | 120.3° | 120.2° |
| CAJ | CAI | H4 | 119.6° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAU | NAT | NAS | CAR | 1.2° | 0.5° |
| NAT | NAU | NAV | CAR | 2.8° | 0.1° |
| NAT | NAU | NAV | H12 | 177.2° | 180.0° |
| NAS | NAT | NAU | NAV | 1.1° | 0.3° |
| NAT | NAS | CAR | NAV | 2.8° | 0.4° |
| NAT | NAS | CAR | CAO | 174.0° | 179.8° |
| NAU | NAV | CAR | NAS | 3.7° | 0.2° |
| NAU | NAV | CAR | H12 | 180.0° | 180.0° |
| NAU | NAV | CAR | CAO | 176.1° | 180.0° |
| NAS | CAR | NAV | CAO | 172.4° | 179.8° |
| NAS | CAR | CAO | CAN | 56.7° | 0.3° |
| NAS | CAR | CAO | CAP | 133.0° | 179.4° |
| NAS | CAR | NAV | H12 | 176.4° | 179.8° |
| NAV | CAR | CAO | CAN | 113.8° | 180.0° |
| NAV | CAR | CAO | CAP | 56.5° | 0.3° |
| CAR | CAO | CAN | CAP | 170.3° | 179.7° |
| CAR | CAO | CAN | CAM | 174.0° | 180.0° |
| CAR | CAO | CAP | CAQ | 174.3° | 180.0° |
| CAR | CAO | CAP | H9 | 5.7° | 0.0° |
| CAR | CAO | CAN | H11 | 6.0° | 0.0° |
| CAO | CAR | NAV | H12 | 4.0° | 0.0° |
| CAO | CAN | CAM | H11 | 180.0° | 179.9° |
| CAN | CAO | CAP | CAQ | 4.1° | 0.3° |
| CAO | CAN | CAM | CAL | 1.4° | 0.0° |
| CAN | CAO | CAP | H9 | 175.9° | 179.8° |
| CAO | CAN | CAM | H10 | 178.6° | 180.0° |
| CAP | CAO | CAN | CAM | 3.7° | 0.3° |
| CAO | CAP | CAQ | H9 | 180.0° | 179.9° |
| CAO | CAP | CAQ | CAL | 2.3° | 0.1° |
| CAO | CAP | CAQ | H8 | 177.7° | 180.0° |
| CAP | CAO | CAN | H11 | 176.3° | 179.7° |
| CAN | CAM | CAL | H10 | 180.0° | 180.0° |
| CAN | CAM | CAL | CAQ | 0.4° | 0.2° |
| CAN | CAM | CAL | CAD | 177.3° | 180.0° |
| CAP | CAQ | CAL | CAM | 0.0° | 0.2° |
| CAP | CAQ | CAL | H8 | 180.0° | 179.9° |
| CAP | CAQ | CAL | CAD | 176.8° | 180.0° |
| CAM | CAL | CAQ | CAD | 176.7° | 179.8° |
| CAM | CAL | CAD | OAE | 8.7° | 179.7° |
| CAM | CAL | CAD | CAC | 171.2° | 0.8° |
| CAM | CAL | CAQ | H8 | 180.0° | 179.7° |
| CAL | CAM | CAN | H11 | 178.6° | 179.9° |
| CAQ | CAL | CAD | OAE | 168.0° | 0.1° |
| CAQ | CAL | CAD | CAC | 5.6° | 179.4° |
| CAL | CAQ | CAP | H9 | 177.7° | 180.0° |
| CAQ | CAL | CAM | H10 | 179.6° | 179.8° |
| CAL | CAD | OAE | CAC | 163.8° | 179.5° |
| CAL | CAD | OAE | CAF | 179.9° | 180.0° |
| CAL | CAD | CAC | CAB | 176.8° | 180.0° |
| CAL | CAD | CAC | H1 | 3.1° | 0.2° |
| CAD | CAL | CAQ | H8 | 3.2° | 0.1° |
| CAD | CAL | CAM | H10 | 2.7° | 0.0° |
| OAE | CAD | CAC | CAB | 15.2° | 0.5° |
| CAD | OAE | CAF | CAG | 171.6° | 179.7° |
| CAD | OAE | CAF | CAK | 8.1° | 0.2° |
| OAE | CAD | CAC | H1 | 164.8° | 179.7° |
| CAC | CAD | OAE | CAF | 16.1° | 0.5° |
| CAD | CAC | CAB | H1 | 180.0° | 179.8° |
| CAD | CAC | CAB | CAK | 6.6° | 0.2° |
| CAD | CAC | CAB | OAA | 178.7° | 179.7° |
| OAE | CAF | CAG | CAK | 179.7° | 179.9° |
| OAE | CAF | CAG | CAH | 179.5° | 179.9° |
| OAE | CAF | CAK | CAB | 0.8° | 0.1° |
| OAE | CAF | CAK | CAJ | 177.6° | 180.0° |
| OAE | CAF | CAG | H6 | 0.5° | 0.1° |
| CAC | CAB | CAK | CAF | 1.4° | 0.1° |
| CAC | CAB | CAK | OAA | 171.9° | 179.9° |
| CAC | CAB | CAK | CAJ | 177.1° | 180.0° |
| CAF | CAG | CAH | H6 | 180.0° | 180.0° |
| CAG | CAF | CAK | CAB | 179.5° | 180.0° |
| CAG | CAF | CAK | CAJ | 2.0° | 0.0° |
| CAF | CAG | CAH | CAI | 1.5° | 0.0° |
| CAF | CAG | CAH | H5 | 178.5° | 180.0° |
| CAK | CAF | CAG | CAH | 0.1° | 0.0° |
| CAF | CAK | CAB | CAJ | 178.4° | 180.0° |
| CAF | CAK | CAB | OAA | 170.5° | 180.0° |
| CAF | CAK | CAJ | CAI | 2.3° | 0.0° |
| CAF | CAK | CAJ | H3 | 177.7° | 180.0° |
| CAK | CAF | CAG | H6 | 179.9° | 180.0° |
| CAG | CAH | CAI | H5 | 180.0° | 180.0° |
| CAG | CAH | CAI | CAJ | 1.3° | 0.0° |
| CAG | CAH | CAI | H4 | 178.8° | 180.0° |
| CAB | CAK | CAJ | CAI | 179.3° | 180.0° |
| CAK | CAB | CAC | H1 | 173.3° | 180.0° |
| CAB | CAK | CAJ | H3 | 0.7° | 0.0° |
| OAA | CAB | CAK | CAJ | 11.1° | 0.0° |
| OAA | CAB | CAC | H1 | 1.2° | 0.1° |
| CAK | CAJ | CAI | CAH | 0.7° | 0.0° |
| CAK | CAJ | CAI | H3 | 180.0° | 180.0° |
| CAK | CAJ | CAI | H4 | 179.3° | 180.0° |
| CAH | CAI | CAJ | H4 | 180.0° | 179.9° |
| CAH | CAI | CAJ | H3 | 179.3° | 180.0° |
| CAI | CAH | CAG | H6 | 178.5° | 180.0° |
| CAJ | CAI | CAH | H5 | 178.7° | 180.0° |
| H3 | CAJ | CAI | H4 | 0.7° | 0.1° |
| H4 | CAI | CAH | H5 | 1.2° | 0.1° |
| H5 | CAH | CAG | H6 | 1.5° | 0.0° |
| H8 | CAQ | CAP | H9 | 2.3° | 0.1° |
| H10 | CAM | CAN | H11 | 1.4° | 0.0° |
