BOY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAJ | sing | 1.51Å | 1.51Å | |
| CAJ | CAG | doub | 1.38Å | 1.42Å | Aromatic |
| CAJ | CAF | sing | 1.38Å | 1.42Å | Aromatic |
| CAG | CAI | sing | 1.38Å | 1.43Å | Aromatic |
| CAF | CAH | doub | 1.38Å | 1.42Å | Aromatic |
| CAI | CAK | doub | 1.38Å | 1.44Å | Aromatic |
| CAH | CAK | sing | 1.38Å | 1.42Å | Aromatic |
| CAK | CAL | sing | 1.51Å | 1.53Å | |
| OAE | PAM | doub | 1.48Å | 1.51Å | |
| OAC | CAL | sing | 1.43Å | 1.45Å | |
| CAL | PAM | sing | 1.82Å | 2.01Å | |
| PAM | OAD | sing | 1.61Å | 1.53Å | |
| PAM | OAB | sing | 1.61Å | 1.52Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAF | HAF1 | sing | 1.08Å | 1.08Å | |
| CAG | HAG1 | sing | 1.08Å | 1.08Å | |
| CAH | HAH1 | sing | 1.08Å | 1.08Å | |
| CAI | HAI1 | sing | 1.08Å | 1.08Å | |
| CAL | HAL1 | sing | 1.09Å | 1.10Å | |
| OAB | H1 | sing | 0.97Å | 0.95Å | |
| OAC | HAC1 | sing | 0.97Å | 0.95Å | |
| OAD | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAJ | CAG | 121.7° | 120.0° |
| CAA | CAJ | CAF | 121.5° | 120.0° |
| CAJ | CAA | HAA3 | 109.5° | 109.4° |
| CAJ | CAA | HAA2 | 109.4° | 109.5° |
| CAJ | CAA | HAA1 | 109.4° | 109.5° |
| CAG | CAJ | CAF | 116.8° | 120.0° |
| CAJ | CAG | CAI | 121.2° | 120.0° |
| CAJ | CAG | HAG1 | 119.4° | 120.0° |
| CAJ | CAF | CAH | 121.9° | 120.0° |
| CAJ | CAF | HAF1 | 119.1° | 120.0° |
| CAG | CAI | CAK | 122.6° | 120.0° |
| CAI | CAG | HAG1 | 119.4° | 120.0° |
| CAG | CAI | HAI1 | 118.7° | 120.0° |
| CAF | CAH | CAK | 122.7° | 120.0° |
| CAH | CAF | HAF1 | 119.1° | 120.0° |
| CAF | CAH | HAH1 | 118.7° | 120.0° |
| CAI | CAK | CAH | 114.8° | 120.0° |
| CAI | CAK | CAL | 121.6° | 120.0° |
| CAK | CAI | HAI1 | 118.7° | 120.0° |
| CAH | CAK | CAL | 123.6° | 120.0° |
| CAK | CAH | HAH1 | 118.6° | 120.1° |
| CAK | CAL | OAC | 109.7° | 109.5° |
| CAK | CAL | PAM | 112.4° | 109.4° |
| CAK | CAL | HAL1 | 110.7° | 109.5° |
| OAE | PAM | CAL | 104.9° | 109.5° |
| OAE | PAM | OAD | 113.1° | 109.5° |
| OAE | PAM | OAB | 113.9° | 109.5° |
| OAC | CAL | PAM | 106.3° | 109.5° |
| OAC | CAL | HAL1 | 111.9° | 109.5° |
| CAL | OAC | HAC1 | 109.5° | 114.0° |
| CAL | PAM | OAD | 107.2° | 109.5° |
| CAL | PAM | OAB | 103.2° | 109.5° |
| PAM | CAL | HAL1 | 105.6° | 109.4° |
| OAD | PAM | OAB | 113.4° | 109.5° |
| PAM | OAD | H2 | 109.5° | 114.0° |
| PAM | OAB | H1 | 109.5° | 113.9° |
| HAA3 | CAA | HAA2 | 109.5° | 109.5° |
| HAA3 | CAA | HAA1 | 109.5° | 109.4° |
| HAA2 | CAA | HAA1 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAJ | CAG | CAF | 179.6° | 179.9° |
| CAA | CAJ | CAG | CAI | 179.8° | 179.5° |
| CAA | CAJ | CAF | CAH | 179.8° | 180.0° |
| CAJ | CAA | HAA3 | HAA2 | 120.0° | 120.0° |
| CAJ | CAA | HAA3 | HAA1 | 120.0° | 120.0° |
| CAJ | CAA | HAA2 | HAA1 | 120.0° | 120.0° |
| CAA | CAJ | CAF | HAF1 | 0.2° | 0.3° |
| CAA | CAJ | CAG | HAG1 | 0.2° | 0.3° |
| CAJ | CAG | CAI | HAG1 | 180.0° | 179.2° |
| CAG | CAJ | CAF | CAH | 0.2° | 0.0° |
| CAJ | CAG | CAI | CAK | 0.0° | 0.7° |
| CAG | CAJ | CAA | HAA3 | 89.8° | 90.0° |
| CAG | CAJ | CAA | HAA2 | 150.2° | 150.0° |
| CAG | CAJ | CAA | HAA1 | 30.2° | 29.9° |
| CAG | CAJ | CAF | HAF1 | 179.8° | 179.7° |
| CAJ | CAG | CAI | HAI1 | 179.9° | 179.2° |
| CAF | CAJ | CAG | CAI | 0.2° | 0.5° |
| CAJ | CAF | CAH | HAF1 | 180.0° | 179.7° |
| CAJ | CAF | CAH | CAK | 0.1° | 0.3° |
| CAF | CAJ | CAA | HAA3 | 89.8° | 90.0° |
| CAF | CAJ | CAA | HAA2 | 30.2° | 30.0° |
| CAF | CAJ | CAA | HAA1 | 150.2° | 150.0° |
| CAF | CAJ | CAG | HAG1 | 179.8° | 179.7° |
| CAJ | CAF | CAH | HAH1 | 179.9° | 179.7° |
| CAG | CAI | CAK | HAI1 | 180.0° | 179.9° |
| CAG | CAI | CAK | CAH | 0.3° | 0.5° |
| CAG | CAI | CAK | CAL | 179.4° | 179.5° |
| CAF | CAH | CAK | CAI | 0.4° | 0.0° |
| CAF | CAH | CAK | HAH1 | 180.0° | 180.0° |
| CAF | CAH | CAK | CAL | 179.5° | 179.9° |
| CAI | CAK | CAH | CAL | 179.1° | 180.0° |
| CAI | CAK | CAL | OAC | 37.5° | 30.0° |
| CAI | CAK | CAL | PAM | 80.6° | 90.0° |
| CAK | CAI | CAG | HAG1 | 180.0° | 179.9° |
| CAI | CAK | CAH | HAH1 | 179.6° | 180.0° |
| CAI | CAK | CAL | HAL1 | 161.5° | 150.0° |
| CAH | CAK | CAL | OAC | 143.4° | 150.0° |
| CAH | CAK | CAL | PAM | 98.4° | 90.0° |
| CAK | CAH | CAF | HAF1 | 179.9° | 180.0° |
| CAH | CAK | CAI | HAI1 | 179.6° | 179.4° |
| CAH | CAK | CAL | HAL1 | 19.4° | 29.9° |
| CAK | CAL | PAM | OAE | 62.1° | 60.0° |
| CAK | CAL | OAC | PAM | 121.9° | 120.0° |
| CAK | CAL | OAC | HAL1 | 123.3° | 120.0° |
| CAK | CAL | PAM | HAL1 | 120.8° | 120.0° |
| CAK | CAL | PAM | OAD | 58.3° | 180.0° |
| CAK | CAL | PAM | OAB | 178.3° | 60.0° |
| CAL | CAK | CAH | HAH1 | 0.6° | 0.1° |
| CAL | CAK | CAI | HAI1 | 0.5° | 0.5° |
| CAK | CAL | OAC | HAC1 | 180.0° | 60.0° |
| OAE | PAM | CAL | OAC | 58.0° | 180.0° |
| OAE | PAM | CAL | OAD | 120.5° | 120.0° |
| OAE | PAM | CAL | OAB | 119.5° | 120.0° |
| OAE | PAM | OAD | OAB | 131.7° | 120.0° |
| OAE | PAM | CAL | HAL1 | 177.0° | 60.0° |
| OAE | PAM | OAB | H1 | 0.0° | 180.0° |
| OAE | PAM | OAD | H2 | 0.0° | 60.0° |
| OAC | CAL | PAM | HAL1 | 119.0° | 120.0° |
| OAC | CAL | PAM | OAD | 178.5° | 60.0° |
| OAC | CAL | PAM | OAB | 61.5° | 60.0° |
| CAL | PAM | OAD | OAB | 113.2° | 120.0° |
| CAL | PAM | OAB | H1 | 113.1° | 59.9° |
| PAM | CAL | OAC | HAC1 | 58.2° | 60.0° |
| CAL | PAM | OAD | H2 | 115.1° | 180.0° |
| OAD | PAM | CAL | HAL1 | 62.5° | 60.0° |
| OAD | PAM | OAB | H1 | 131.3° | 60.1° |
| OAB | PAM | CAL | HAL1 | 57.5° | 180.0° |
| OAB | PAM | OAD | H2 | 131.7° | 60.0° |
| HAA3 | CAA | HAA2 | HAA1 | 120.0° | 120.0° |
| HAF1 | CAF | CAH | HAH1 | 0.1° | 0.0° |
| HAG1 | CAG | CAI | HAI1 | 0.1° | 0.0° |
| HAL1 | CAL | OAC | HAC1 | 56.7° | 180.0° |
