A1MCO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | O01 | doub | 1.22Å | 1.18Å | |
| O03 | C02 | sing | 1.34Å | 1.45Å | |
| C04 | O03 | sing | 1.35Å | 1.51Å | |
| C05 | C04 | doub | 1.39Å | 1.42Å | Aromatic |
| C07 | O06 | sing | 1.43Å | 1.40Å | |
| O06 | C05 | sing | 1.36Å | 1.40Å | |
| C08 | C05 | sing | 1.39Å | 1.41Å | Aromatic |
| O09 | C08 | sing | 1.36Å | 1.40Å | |
| C10 | C08 | doub | 1.40Å | 1.42Å | Aromatic |
| C12 | O11 | sing | 1.43Å | 1.40Å | |
| O11 | C10 | sing | 1.36Å | 1.40Å | |
| C13 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C13 | doub | 1.40Å | 1.41Å | Aromatic |
| C15 | C14 | sing | 1.46Å | 1.51Å | |
| C16 | C15 | doub | 1.36Å | 1.45Å | |
| C02 | C16 | sing | 1.41Å | 1.49Å | |
| C04 | C14 | sing | 1.41Å | 1.43Å | Aromatic |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H073 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| O09 | H091 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | O03 | 120.9° | 119.2° |
| O01 | C02 | C16 | 119.2° | 119.2° |
| C02 | O03 | C04 | 120.6° | 121.5° |
| O03 | C02 | C16 | 120.0° | 121.7° |
| O03 | C04 | C05 | 121.8° | 120.6° |
| O03 | C04 | C14 | 119.0° | 119.8° |
| C04 | C05 | O06 | 120.4° | 120.1° |
| C04 | C05 | C08 | 119.9° | 119.9° |
| C05 | C04 | C14 | 119.2° | 119.6° |
| C07 | O06 | C05 | 115.0° | 117.0° |
| O06 | C07 | H071 | 109.5° | 109.5° |
| O06 | C07 | H072 | 109.5° | 109.5° |
| O06 | C07 | H073 | 109.5° | 109.5° |
| O06 | C05 | C08 | 119.6° | 120.1° |
| C05 | C08 | O09 | 121.9° | 119.7° |
| C05 | C08 | C10 | 120.2° | 120.5° |
| O09 | C08 | C10 | 117.9° | 119.7° |
| C08 | O09 | H091 | 109.5° | 114.0° |
| C08 | C10 | O11 | 119.4° | 119.9° |
| C08 | C10 | C13 | 119.9° | 120.2° |
| C12 | O11 | C10 | 114.6° | 117.0° |
| O11 | C12 | H121 | 109.5° | 109.4° |
| O11 | C12 | H122 | 109.5° | 109.4° |
| O11 | C12 | H123 | 109.5° | 109.5° |
| O11 | C10 | C13 | 120.7° | 119.8° |
| C10 | C13 | C14 | 120.3° | 119.7° |
| C10 | C13 | H131 | 119.8° | 120.1° |
| C13 | C14 | C15 | 118.9° | 120.9° |
| C13 | C14 | C04 | 120.4° | 120.1° |
| C14 | C13 | H131 | 119.8° | 120.2° |
| C14 | C15 | C16 | 120.0° | 118.2° |
| C15 | C14 | C04 | 120.6° | 118.9° |
| C14 | C15 | H151 | 120.0° | 120.8° |
| C15 | C16 | C02 | 119.4° | 119.8° |
| C16 | C15 | H151 | 120.0° | 120.9° |
| C15 | C16 | H161 | 120.3° | 120.1° |
| C02 | C16 | H161 | 120.3° | 120.1° |
| H071 | C07 | H072 | 109.4° | 109.4° |
| H071 | C07 | H073 | 109.4° | 109.5° |
| H072 | C07 | H073 | 109.5° | 109.4° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H121 | C12 | H123 | 109.4° | 109.5° |
| H122 | C12 | H123 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | O03 | C16 | 179.5° | 179.9° |
| O01 | C02 | O03 | C04 | 173.1° | 180.0° |
| O01 | C02 | C16 | C15 | 177.0° | 180.0° |
| O01 | C02 | C16 | H161 | 3.0° | 0.1° |
| C02 | O03 | C04 | C05 | 174.8° | 180.0° |
| O03 | C02 | C16 | C15 | 2.5° | 0.1° |
| C02 | O03 | C04 | C14 | 5.2° | 0.1° |
| O03 | C02 | C16 | H161 | 177.5° | 180.0° |
| O03 | C04 | C05 | C14 | 180.0° | 179.9° |
| O03 | C04 | C05 | O06 | 0.3° | 0.1° |
| O03 | C04 | C05 | C08 | 179.9° | 180.0° |
| O03 | C04 | C14 | C13 | 179.9° | 180.0° |
| O03 | C04 | C14 | C15 | 0.1° | 0.0° |
| C04 | O03 | C02 | C16 | 6.4° | 0.1° |
| C04 | C05 | O06 | C07 | 116.4° | 90.0° |
| C04 | C05 | O06 | C08 | 179.6° | 179.9° |
| C04 | C05 | C08 | O09 | 179.8° | 180.0° |
| C04 | C05 | C08 | C10 | 0.2° | 0.1° |
| C05 | C04 | C14 | C13 | 0.0° | 0.1° |
| C05 | C04 | C14 | C15 | 179.9° | 179.9° |
| C07 | O06 | C05 | C08 | 64.0° | 90.0° |
| O06 | C07 | H071 | H072 | 120.0° | 120.0° |
| O06 | C07 | H071 | H073 | 120.0° | 120.1° |
| O06 | C07 | H072 | H073 | 120.0° | 120.0° |
| O06 | C05 | C08 | O09 | 0.2° | 0.1° |
| O06 | C05 | C08 | C10 | 179.8° | 180.0° |
| O06 | C05 | C04 | C14 | 179.7° | 180.0° |
| C05 | O06 | C07 | H071 | 180.0° | 180.0° |
| C05 | O06 | C07 | H072 | 60.0° | 60.0° |
| C05 | O06 | C07 | H073 | 60.0° | 60.0° |
| C05 | C08 | O09 | C10 | 180.0° | 179.9° |
| C05 | C08 | C10 | O11 | 180.0° | 179.6° |
| C05 | C08 | C10 | C13 | 0.2° | 0.1° |
| C08 | C05 | C04 | C14 | 0.1° | 0.1° |
| C05 | C08 | O09 | H091 | 180.0° | 90.1° |
| O09 | C08 | C10 | O11 | 0.0° | 0.3° |
| O09 | C08 | C10 | C13 | 179.8° | 180.0° |
| C08 | C10 | O11 | C12 | 178.8° | 180.0° |
| C08 | C10 | O11 | C13 | 179.8° | 179.7° |
| C08 | C10 | C13 | C14 | 0.1° | 0.0° |
| C08 | C10 | C13 | H131 | 180.0° | 180.0° |
| C10 | C08 | O09 | H091 | 0.0° | 90.0° |
| C12 | O11 | C10 | C13 | 1.4° | 0.3° |
| O11 | C12 | H121 | H122 | 120.0° | 119.9° |
| O11 | C12 | H121 | H123 | 120.0° | 120.0° |
| O11 | C12 | H122 | H123 | 120.0° | 120.0° |
| O11 | C10 | C13 | C14 | 179.9° | 179.7° |
| O11 | C10 | C13 | H131 | 0.1° | 0.3° |
| C10 | O11 | C12 | H121 | 180.0° | 60.0° |
| C10 | O11 | C12 | H122 | 60.0° | 60.0° |
| C10 | O11 | C12 | H123 | 60.0° | 179.9° |
| C10 | C13 | C14 | H131 | 180.0° | 180.0° |
| C10 | C13 | C14 | C15 | 179.9° | 180.0° |
| C10 | C13 | C14 | C04 | 0.0° | 0.0° |
| C13 | C14 | C15 | C04 | 179.8° | 180.0° |
| C13 | C14 | C15 | C16 | 176.1° | 180.0° |
| C13 | C14 | C15 | H151 | 3.9° | 0.0° |
| C14 | C15 | C16 | H151 | 180.0° | 180.0° |
| C14 | C15 | C16 | C02 | 2.5° | 0.0° |
| C15 | C14 | C13 | H131 | 0.1° | 0.0° |
| C14 | C15 | C16 | H161 | 177.5° | 180.0° |
| C15 | C16 | C02 | H161 | 180.0° | 180.0° |
| C16 | C15 | C14 | C04 | 3.7° | 0.0° |
| C02 | C16 | C15 | H151 | 177.5° | 180.0° |
| C04 | C14 | C13 | H131 | 179.9° | 180.0° |
| C04 | C14 | C15 | H151 | 176.3° | 180.0° |
| H151 | C15 | C16 | H161 | 2.5° | 0.0° |
| H071 | C07 | H072 | H073 | 119.9° | 120.0° |
| H121 | C12 | H122 | H123 | 120.0° | 120.0° |
