3VW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAD | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAD | CAB | sing | 1.38Å | 1.39Å | Aromatic |
| CAH | CAJ | sing | 1.53Å | 1.52Å | |
| CAH | NAK | sing | 1.47Å | 1.49Å | |
| CAF | CAM | sing | 1.40Å | 1.39Å | Aromatic |
| CAJ | CAN | sing | 1.53Å | 1.53Å | |
| CAN | CAL | sing | 1.51Å | 1.54Å | |
| CAN | CAI | sing | 1.53Å | 1.52Å | |
| CAM | CAL | sing | 1.47Å | 1.40Å | |
| CAM | CAE | doub | 1.40Å | 1.39Å | Aromatic |
| CAB | CAC | doub | 1.38Å | 1.39Å | Aromatic |
| CAL | OAA | doub | 1.21Å | 1.23Å | |
| CAC | CAE | sing | 1.38Å | 1.38Å | Aromatic |
| NAK | CAG | sing | 1.47Å | 1.47Å | |
| CAG | CAI | sing | 1.53Å | 1.53Å | |
| 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 | |
| NAK | 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 | |
| CAN | H11 | sing | 1.09Å | 1.10Å | |
| CAE | H12 | sing | 1.08Å | 1.08Å | |
| CAC | H13 | sing | 1.08Å | 1.08Å | |
| CAB | H14 | sing | 1.08Å | 1.08Å | |
| CAD | H15 | sing | 1.08Å | 1.08Å | |
| CAF | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAF | CAD | CAB | 118.4° | 120.2° |
| CAD | CAF | CAM | 120.1° | 119.8° |
| CAF | CAD | H15 | 120.9° | 119.9° |
| CAD | CAF | H16 | 120.0° | 120.0° |
| CAD | CAB | CAC | 122.2° | 120.4° |
| CAD | CAB | H14 | 118.9° | 119.8° |
| CAB | CAD | H15 | 120.8° | 119.9° |
| CAJ | CAH | NAK | 109.8° | 109.6° |
| CAH | CAJ | CAN | 109.2° | 109.3° |
| CAJ | CAH | H7 | 109.4° | 109.4° |
| CAJ | CAH | H8 | 109.4° | 109.5° |
| CAH | CAJ | H9 | 109.5° | 109.5° |
| CAH | CAJ | H10 | 109.5° | 109.5° |
| CAH | NAK | CAG | 109.6° | 111.2° |
| CAH | NAK | H5 | 109.4° | 111.1° |
| NAK | CAH | H7 | 109.4° | 109.5° |
| NAK | CAH | H8 | 109.4° | 109.5° |
| CAF | CAM | CAL | 122.0° | 120.1° |
| CAF | CAM | CAE | 120.3° | 119.7° |
| CAM | CAF | H16 | 120.0° | 120.1° |
| CAJ | CAN | CAL | 111.0° | 109.5° |
| CAJ | CAN | CAI | 108.2° | 109.2° |
| CAN | CAJ | H9 | 109.6° | 109.4° |
| CAN | CAJ | H10 | 109.5° | 109.5° |
| CAJ | CAN | H11 | 109.5° | 109.5° |
| CAL | CAN | CAI | 109.0° | 109.6° |
| CAN | CAL | CAM | 117.8° | 120.0° |
| CAN | CAL | OAA | 121.9° | 120.1° |
| CAL | CAN | H11 | 109.4° | 109.5° |
| CAN | CAI | CAG | 108.4° | 109.3° |
| CAN | CAI | H1 | 109.7° | 109.5° |
| CAN | CAI | H2 | 109.7° | 109.5° |
| CAI | CAN | H11 | 109.7° | 109.5° |
| CAL | CAM | CAE | 117.1° | 120.2° |
| CAM | CAL | OAA | 120.2° | 119.9° |
| CAM | CAE | CAC | 120.1° | 119.8° |
| CAM | CAE | H12 | 120.0° | 120.1° |
| CAB | CAC | CAE | 118.6° | 120.2° |
| CAB | CAC | H13 | 120.7° | 119.9° |
| CAC | CAB | H14 | 118.9° | 119.8° |
| CAC | CAE | H12 | 119.9° | 120.1° |
| CAE | CAC | H13 | 120.7° | 119.9° |
| NAK | CAG | CAI | 111.0° | 109.5° |
| NAK | CAG | H3 | 109.1° | 109.5° |
| NAK | CAG | H4 | 109.1° | 109.4° |
| CAG | NAK | H5 | 109.5° | 111.0° |
| CAG | CAI | H1 | 109.7° | 109.5° |
| CAG | CAI | H2 | 109.8° | 109.5° |
| CAI | CAG | H3 | 109.1° | 109.5° |
| CAI | CAG | H4 | 109.1° | 109.5° |
| H1 | CAI | H2 | 109.5° | 109.5° |
| H3 | CAG | H4 | 109.5° | 109.4° |
| H7 | CAH | H8 | 109.5° | 109.4° |
| H9 | CAJ | H10 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAF | CAD | CAB | H15 | 180.0° | 179.5° |
| CAD | CAF | CAM | H16 | 180.0° | 179.5° |
| CAD | CAF | CAM | CAL | 178.1° | 179.7° |
| CAD | CAF | CAM | CAE | 6.9° | 0.5° |
| CAF | CAD | CAB | CAC | 1.0° | 0.2° |
| CAF | CAD | CAB | H14 | 179.0° | 179.7° |
| CAB | CAD | CAF | CAM | 4.5° | 0.5° |
| CAD | CAB | CAC | H14 | 180.0° | 180.0° |
| CAD | CAB | CAC | CAE | 0.1° | 0.1° |
| CAD | CAB | CAC | H13 | 179.9° | 180.0° |
| CAB | CAD | CAF | H16 | 175.5° | 180.0° |
| CAJ | CAH | NAK | H7 | 120.1° | 120.0° |
| CAJ | CAH | NAK | H8 | 120.0° | 120.1° |
| CAH | CAJ | CAN | H9 | 120.0° | 119.9° |
| CAH | CAJ | CAN | H10 | 120.0° | 120.0° |
| CAH | CAJ | CAN | CAL | 180.0° | 177.5° |
| CAH | CAJ | CAN | CAI | 60.4° | 57.6° |
| CAJ | CAH | NAK | CAG | 60.2° | 61.7° |
| CAJ | CAH | NAK | H5 | 179.8° | 174.1° |
| CAJ | CAH | H7 | H8 | 119.9° | 120.0° |
| CAH | CAJ | H9 | H10 | 120.1° | 120.1° |
| CAH | CAJ | CAN | H11 | 59.2° | 62.4° |
| NAK | CAH | CAJ | CAN | 60.6° | 59.1° |
| CAH | NAK | CAG | H5 | 120.0° | 124.2° |
| CAH | NAK | CAG | CAI | 60.5° | 61.7° |
| CAH | NAK | CAG | H3 | 59.7° | 178.2° |
| CAH | NAK | CAG | H4 | 179.2° | 58.3° |
| NAK | CAH | H7 | H8 | 119.8° | 119.9° |
| NAK | CAH | CAJ | H9 | 59.4° | 60.7° |
| NAK | CAH | CAJ | H10 | 179.5° | 179.1° |
| CAF | CAM | CAL | CAN | 7.1° | 0.3° |
| CAF | CAM | CAL | CAE | 171.5° | 179.8° |
| CAF | CAM | CAL | OAA | 168.2° | 179.7° |
| CAF | CAM | CAE | CAC | 5.7° | 0.2° |
| CAF | CAM | CAE | H12 | 174.3° | 179.7° |
| CAM | CAF | CAD | H15 | 175.5° | 180.0° |
| CAJ | CAN | CAL | CAI | 119.1° | 119.7° |
| CAJ | CAN | CAL | H11 | 120.9° | 120.1° |
| CAJ | CAN | CAI | H11 | 119.4° | 119.9° |
| CAJ | CAN | CAL | CAM | 165.5° | 155.0° |
| CAJ | CAN | CAL | OAA | 9.7° | 25.1° |
| CAJ | CAN | CAI | CAG | 59.4° | 57.6° |
| CAJ | CAN | CAI | H1 | 60.4° | 177.5° |
| CAJ | CAN | CAI | H2 | 179.2° | 62.4° |
| CAN | CAJ | CAH | H7 | 59.5° | 179.2° |
| CAN | CAJ | CAH | H8 | 179.4° | 60.9° |
| CAN | CAJ | H9 | H10 | 120.1° | 120.1° |
| CAL | CAN | CAI | H11 | 119.8° | 120.2° |
| CAN | CAL | CAM | OAA | 175.3° | 180.0° |
| CAN | CAL | CAM | CAE | 164.5° | 180.0° |
| CAL | CAN | CAI | CAG | 179.8° | 177.5° |
| CAL | CAN | CAI | H1 | 60.4° | 62.6° |
| CAL | CAN | CAI | H2 | 59.9° | 57.6° |
| CAL | CAN | CAJ | H9 | 60.0° | 57.7° |
| CAL | CAN | CAJ | H10 | 60.1° | 62.5° |
| CAI | CAN | CAL | CAM | 75.4° | 85.3° |
| CAI | CAN | CAL | OAA | 109.4° | 94.7° |
| CAN | CAI | CAG | NAK | 60.5° | 59.1° |
| CAN | CAI | CAG | H1 | 119.8° | 120.0° |
| CAN | CAI | CAG | H2 | 119.8° | 120.0° |
| CAN | CAI | H1 | H2 | 120.5° | 120.1° |
| CAN | CAI | CAG | H3 | 59.7° | 179.2° |
| CAN | CAI | CAG | H4 | 179.2° | 60.8° |
| CAI | CAN | CAJ | H9 | 59.6° | 62.3° |
| CAI | CAN | CAJ | H10 | 179.7° | 177.5° |
| CAL | CAM | CAE | CAC | 177.4° | 180.0° |
| CAM | CAL | CAN | H11 | 44.6° | 34.9° |
| CAL | CAM | CAE | H12 | 2.6° | 0.0° |
| CAL | CAM | CAF | H16 | 1.8° | 0.3° |
| CAM | CAE | CAC | CAB | 2.2° | 0.1° |
| CAE | CAM | CAL | OAA | 20.3° | 0.0° |
| CAM | CAE | CAC | H12 | 180.0° | 179.9° |
| CAM | CAE | CAC | H13 | 177.8° | 180.0° |
| CAE | CAM | CAF | H16 | 173.1° | 180.0° |
| CAB | CAC | CAE | H13 | 180.0° | 179.9° |
| CAB | CAC | CAE | H12 | 177.8° | 180.0° |
| CAC | CAB | CAD | H15 | 179.0° | 179.7° |
| OAA | CAL | CAN | H11 | 130.6° | 145.1° |
| CAE | CAC | CAB | H14 | 179.9° | 180.0° |
| NAK | CAG | CAI | H3 | 120.2° | 120.1° |
| NAK | CAG | CAI | H4 | 120.2° | 120.0° |
| NAK | CAG | CAI | H1 | 59.3° | 179.1° |
| NAK | CAG | CAI | H2 | 179.6° | 60.8° |
| NAK | CAG | H3 | H4 | 119.3° | 119.9° |
| CAG | NAK | CAH | H7 | 59.8° | 178.3° |
| CAG | NAK | CAH | H8 | 179.7° | 58.3° |
| CAG | CAI | H1 | H2 | 120.5° | 120.1° |
| CAI | CAG | H3 | H4 | 119.3° | 120.0° |
| CAI | CAG | NAK | H5 | 179.5° | 174.1° |
| CAG | CAI | CAN | H11 | 60.0° | 62.3° |
| H1 | CAI | CAG | H3 | 179.5° | 60.8° |
| H1 | CAI | CAG | H4 | 61.0° | 59.2° |
| H1 | CAI | CAN | H11 | 179.8° | 57.6° |
| H2 | CAI | CAG | H3 | 60.1° | 59.3° |
| H2 | CAI | CAG | H4 | 59.4° | 179.2° |
| H2 | CAI | CAN | H11 | 59.8° | 177.7° |
| H3 | CAG | NAK | H5 | 60.3° | 54.1° |
| H4 | CAG | NAK | H5 | 59.2° | 65.9° |
| H5 | NAK | CAH | H7 | 60.2° | 54.1° |
| H5 | NAK | CAH | H8 | 59.7° | 65.8° |
| H7 | CAH | CAJ | H9 | 179.4° | 59.3° |
| H7 | CAH | CAJ | H10 | 60.5° | 60.8° |
| H8 | CAH | CAJ | H9 | 60.6° | 179.3° |
| H8 | CAH | CAJ | H10 | 59.5° | 59.1° |
| H9 | CAJ | CAN | H11 | 179.1° | 177.8° |
| H10 | CAJ | CAN | H11 | 60.8° | 57.6° |
| H12 | CAE | CAC | H13 | 2.2° | 0.1° |
| H13 | CAC | CAB | H14 | 0.1° | 0.0° |
| H14 | CAB | CAD | H15 | 1.0° | 0.2° |
| H15 | CAD | CAF | H16 | 4.5° | 0.5° |
