WP1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAE | CAF | doub | 1.38Å | 1.40Å | Aromatic |
| CAE | CAD | sing | 1.40Å | 1.38Å | Aromatic |
| OAN | CAL | doub | 1.22Å | 1.24Å | |
| CAF | CAA | sing | 1.39Å | 1.39Å | Aromatic |
| CAL | CAD | sing | 1.47Å | 1.52Å | |
| CAL | NAM | sing | 1.35Å | 1.35Å | |
| CAD | CAC | doub | 1.41Å | 1.34Å | Aromatic |
| CAA | CAB | doub | 1.38Å | 1.33Å | Aromatic |
| CAC | CAB | sing | 1.39Å | 1.35Å | Aromatic |
| CAC | OAI | sing | 1.36Å | 1.44Å | |
| CAB | CAG | sing | 1.52Å | 1.50Å | |
| CAJ | CAH | sing | 1.53Å | 1.54Å | |
| OAI | CAH | sing | 1.44Å | 1.44Å | |
| CAG | CAH | sing | 1.55Å | 1.48Å | |
| CAH | CAK | sing | 1.53Å | 1.54Å | |
| CAG | H1 | sing | 1.09Å | 1.10Å | |
| CAG | H2 | sing | 1.09Å | 1.10Å | |
| CAJ | H3 | sing | 1.09Å | 1.10Å | |
| CAJ | H4 | sing | 1.09Å | 1.10Å | |
| CAJ | H5 | sing | 1.09Å | 1.10Å | |
| CAK | H6 | sing | 1.09Å | 1.10Å | |
| CAK | H7 | sing | 1.09Å | 1.10Å | |
| CAK | H8 | sing | 1.09Å | 1.10Å | |
| CAA | H9 | sing | 1.08Å | 1.08Å | |
| CAF | H10 | sing | 1.08Å | 1.08Å | |
| CAE | H11 | sing | 1.08Å | 1.08Å | |
| NAM | H12 | sing | 0.97Å | 1.00Å | |
| NAM | H13 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAF | CAE | CAD | 119.1° | 120.2° |
| CAE | CAF | CAA | 120.1° | 120.0° |
| CAE | CAF | H10 | 120.0° | 120.0° |
| CAF | CAE | H11 | 120.5° | 119.9° |
| CAE | CAD | CAL | 119.6° | 120.1° |
| CAE | CAD | CAC | 118.4° | 119.9° |
| CAD | CAE | H11 | 120.5° | 119.8° |
| OAN | CAL | CAD | 122.8° | 120.0° |
| OAN | CAL | NAM | 120.6° | 120.0° |
| CAF | CAA | CAB | 118.2° | 120.3° |
| CAF | CAA | H9 | 120.9° | 119.8° |
| CAA | CAF | H10 | 119.9° | 120.1° |
| CAD | CAL | NAM | 116.5° | 120.0° |
| CAL | CAD | CAC | 121.9° | 120.1° |
| CAL | NAM | H12 | 120.0° | 120.0° |
| CAL | NAM | H13 | 120.0° | 120.0° |
| CAD | CAC | CAB | 122.2° | 118.8° |
| CAD | CAC | OAI | 125.9° | 130.0° |
| CAA | CAB | CAC | 122.0° | 120.9° |
| CAA | CAB | CAG | 128.4° | 132.1° |
| CAB | CAA | H9 | 120.9° | 119.9° |
| CAB | CAC | OAI | 111.9° | 111.3° |
| CAC | CAB | CAG | 109.6° | 107.0° |
| CAC | OAI | CAH | 105.6° | 109.4° |
| CAB | CAG | CAH | 102.9° | 101.9° |
| CAB | CAG | H1 | 111.1° | 110.9° |
| CAB | CAG | H2 | 111.1° | 110.9° |
| CAJ | CAH | OAI | 110.1° | 110.9° |
| CAJ | CAH | CAG | 109.3° | 110.8° |
| CAJ | CAH | CAK | 110.2° | 110.7° |
| CAH | CAJ | H3 | 109.5° | 109.5° |
| CAH | CAJ | H4 | 109.5° | 109.5° |
| CAH | CAJ | H5 | 109.5° | 109.5° |
| OAI | CAH | CAG | 109.4° | 102.7° |
| OAI | CAH | CAK | 108.3° | 110.8° |
| CAG | CAH | CAK | 109.5° | 110.7° |
| CAH | CAG | H1 | 111.1° | 111.0° |
| CAH | CAG | H2 | 111.1° | 111.0° |
| CAH | CAK | H6 | 109.5° | 109.5° |
| CAH | CAK | H7 | 109.5° | 109.5° |
| CAH | CAK | H8 | 109.5° | 109.5° |
| H1 | CAG | H2 | 109.5° | 110.8° |
| H3 | CAJ | H4 | 109.5° | 109.5° |
| H3 | CAJ | H5 | 109.4° | 109.5° |
| H4 | CAJ | H5 | 109.5° | 109.4° |
| H6 | CAK | H7 | 109.5° | 109.4° |
| H6 | CAK | H8 | 109.5° | 109.5° |
| H7 | CAK | H8 | 109.4° | 109.5° |
| H12 | NAM | H13 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAF | CAE | CAD | H11 | 180.0° | 180.0° |
| CAE | CAF | CAA | H10 | 180.0° | 179.9° |
| CAF | CAE | CAD | CAL | 178.7° | 180.0° |
| CAF | CAE | CAD | CAC | 0.1° | 0.0° |
| CAE | CAF | CAA | CAB | 0.2° | 0.0° |
| CAE | CAF | CAA | H9 | 179.8° | 179.9° |
| CAE | CAD | CAL | OAN | 1.1° | 180.0° |
| CAD | CAE | CAF | CAA | 0.5° | 0.1° |
| CAE | CAD | CAL | CAC | 178.8° | 179.9° |
| CAE | CAD | CAL | NAM | 177.9° | 0.0° |
| CAE | CAD | CAC | CAB | 0.5° | 0.2° |
| CAE | CAD | CAC | OAI | 179.6° | 179.5° |
| CAD | CAE | CAF | H10 | 179.5° | 179.9° |
| OAN | CAL | CAD | NAM | 176.8° | 180.0° |
| OAN | CAL | CAD | CAC | 177.7° | 0.1° |
| OAN | CAL | NAM | H12 | 0.0° | 180.0° |
| OAN | CAL | NAM | H13 | 180.0° | 0.0° |
| CAF | CAA | CAB | H9 | 180.0° | 179.9° |
| CAF | CAA | CAB | CAC | 0.5° | 0.2° |
| CAF | CAA | CAB | CAG | 178.1° | 179.6° |
| CAA | CAF | CAE | H11 | 179.5° | 179.9° |
| CAL | CAD | CAC | CAB | 179.3° | 179.7° |
| CAL | CAD | CAC | OAI | 0.8° | 0.5° |
| CAL | CAD | CAE | H11 | 1.3° | 0.0° |
| CAD | CAL | NAM | H12 | 176.9° | 0.0° |
| CAD | CAL | NAM | H13 | 3.1° | 180.0° |
| NAM | CAL | CAD | CAC | 0.9° | 179.9° |
| CAL | NAM | H12 | H13 | 180.0° | 180.0° |
| CAD | CAC | CAB | CAA | 0.9° | 0.3° |
| CAD | CAC | CAB | OAI | 179.9° | 179.8° |
| CAD | CAC | CAB | CAG | 178.9° | 179.5° |
| CAD | CAC | OAI | CAH | 176.0° | 161.6° |
| CAC | CAD | CAE | H11 | 179.9° | 180.0° |
| CAA | CAB | CAC | CAG | 178.0° | 179.8° |
| CAA | CAB | CAC | OAI | 179.2° | 179.5° |
| CAA | CAB | CAG | CAH | 176.6° | 164.1° |
| CAA | CAB | CAG | H1 | 57.7° | 77.7° |
| CAA | CAB | CAG | H2 | 64.5° | 46.0° |
| CAB | CAA | CAF | H10 | 179.8° | 180.0° |
| CAB | CAC | OAI | CAH | 3.9° | 18.7° |
| CAC | CAB | CAG | CAH | 5.6° | 15.6° |
| CAC | CAB | CAG | H1 | 124.5° | 102.5° |
| CAC | CAB | CAG | H2 | 113.4° | 133.8° |
| CAC | CAB | CAA | H9 | 179.5° | 179.7° |
| OAI | CAC | CAB | CAG | 1.2° | 0.7° |
| CAC | OAI | CAH | CAJ | 112.6° | 90.8° |
| CAC | OAI | CAH | CAG | 7.4° | 27.6° |
| CAC | OAI | CAH | CAK | 126.8° | 145.9° |
| CAB | CAG | CAH | CAJ | 112.6° | 93.2° |
| CAB | CAG | CAH | OAI | 7.9° | 25.3° |
| CAB | CAG | CAH | H1 | 118.9° | 118.1° |
| CAB | CAG | CAH | H2 | 119.0° | 118.2° |
| CAB | CAG | CAH | CAK | 126.5° | 143.6° |
| CAB | CAG | H1 | H2 | 123.0° | 123.7° |
| CAG | CAB | CAA | H9 | 1.9° | 0.5° |
| CAJ | CAH | OAI | CAG | 120.1° | 118.4° |
| CAJ | CAH | OAI | CAK | 120.6° | 123.3° |
| CAJ | CAH | CAG | CAK | 120.9° | 123.2° |
| CAJ | CAH | CAG | H1 | 6.3° | 148.7° |
| CAJ | CAH | CAG | H2 | 128.4° | 25.0° |
| CAH | CAJ | H3 | H4 | 120.0° | 120.0° |
| CAH | CAJ | H3 | H5 | 120.0° | 120.0° |
| CAH | CAJ | H4 | H5 | 120.0° | 120.0° |
| CAJ | CAH | CAK | H6 | 180.0° | 176.8° |
| CAJ | CAH | CAK | H7 | 60.0° | 56.8° |
| CAJ | CAH | CAK | H8 | 60.0° | 63.2° |
| OAI | CAH | CAG | CAK | 118.6° | 118.3° |
| OAI | CAH | CAG | H1 | 126.8° | 92.8° |
| OAI | CAH | CAG | H2 | 111.0° | 143.5° |
| OAI | CAH | CAJ | H3 | 180.0° | 173.4° |
| OAI | CAH | CAJ | H4 | 60.0° | 66.6° |
| OAI | CAH | CAJ | H5 | 60.0° | 53.4° |
| OAI | CAH | CAK | H6 | 59.5° | 53.3° |
| OAI | CAH | CAK | H7 | 60.5° | 66.6° |
| OAI | CAH | CAK | H8 | 179.6° | 173.3° |
| CAH | CAG | H1 | H2 | 123.0° | 123.8° |
| CAG | CAH | CAJ | H3 | 59.8° | 60.0° |
| CAG | CAH | CAJ | H4 | 179.9° | 180.0° |
| CAG | CAH | CAJ | H5 | 60.1° | 60.0° |
| CAG | CAH | CAK | H6 | 59.7° | 60.0° |
| CAG | CAH | CAK | H7 | 179.7° | 179.9° |
| CAG | CAH | CAK | H8 | 60.3° | 60.0° |
| CAK | CAH | CAG | H1 | 114.6° | 25.5° |
| CAK | CAH | CAG | H2 | 7.6° | 98.2° |
| CAK | CAH | CAJ | H3 | 60.6° | 63.2° |
| CAK | CAH | CAJ | H4 | 59.4° | 56.8° |
| CAK | CAH | CAJ | H5 | 179.4° | 176.8° |
| CAH | CAK | H6 | H7 | 120.0° | 120.0° |
| CAH | CAK | H6 | H8 | 120.0° | 120.0° |
| CAH | CAK | H7 | H8 | 120.0° | 120.0° |
| H3 | CAJ | H4 | H5 | 120.0° | 120.0° |
| H6 | CAK | H7 | H8 | 120.0° | 120.0° |
| H9 | CAA | CAF | H10 | 0.2° | 0.2° |
| H10 | CAF | CAE | H11 | 0.5° | 0.1° |
