M48
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F23 | C23 | sing | 1.35Å | 1.36Å | |
| C23 | C24 | doub | 1.38Å | 1.41Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.41Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.41Å | Aromatic |
| C26 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.41Å | Aromatic |
| C21 | C15 | sing | 1.51Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | N13 | sing | 1.47Å | 1.46Å | |
| N13 | C12 | sing | 1.47Å | 1.46Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | C08 | sing | 1.51Å | 1.50Å | |
| C08 | C07 | doub | 1.39Å | 1.39Å | Aromatic |
| C08 | C09 | sing | 1.36Å | 1.40Å | Aromatic |
| C07 | C06 | sing | 1.36Å | 1.38Å | Aromatic |
| C06 | C05 | doub | 1.40Å | 1.38Å | Aromatic |
| C09 | C10 | doub | 1.40Å | 1.41Å | Aromatic |
| C10 | N01 | sing | 1.34Å | 1.37Å | Aromatic |
| C10 | C05 | sing | 1.42Å | 1.40Å | Aromatic |
| N01 | C02 | doub | 1.32Å | 1.35Å | Aromatic |
| C05 | C04 | sing | 1.41Å | 1.39Å | Aromatic |
| C04 | C03 | doub | 1.36Å | 1.41Å | Aromatic |
| C03 | C02 | sing | 1.40Å | 1.39Å | Aromatic |
| C02 | N02 | sing | 1.39Å | 1.35Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| N13 | H13 | sing | 1.01Å | 1.00Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C07 | H07 | sing | 1.08Å | 1.08Å | |
| C09 | H09 | sing | 1.08Å | 1.08Å | |
| C06 | H06 | sing | 1.08Å | 1.08Å | |
| C04 | H04 | sing | 1.08Å | 1.08Å | |
| C03 | H03 | sing | 1.08Å | 1.08Å | |
| N02 | H021 | sing | 0.97Å | 1.00Å | |
| N02 | H022 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F23 | C23 | C24 | 121.1° | 120.0° |
| F23 | C23 | C22 | 119.4° | 120.0° |
| C24 | C23 | C22 | 119.5° | 120.0° |
| C23 | C24 | C25 | 120.3° | 120.0° |
| C23 | C24 | H24 | 119.9° | 120.0° |
| C23 | C22 | C21 | 120.9° | 120.0° |
| C23 | C22 | H22 | 119.6° | 120.0° |
| C24 | C25 | C26 | 119.7° | 120.1° |
| C25 | C24 | H24 | 119.8° | 120.0° |
| C24 | C25 | H25 | 120.1° | 120.0° |
| C25 | C26 | C21 | 120.9° | 120.1° |
| C26 | C25 | H25 | 120.1° | 120.0° |
| C25 | C26 | H26 | 119.6° | 120.0° |
| C26 | C21 | C22 | 118.7° | 120.0° |
| C26 | C21 | C15 | 122.7° | 120.0° |
| C21 | C26 | H26 | 119.5° | 119.9° |
| C22 | C21 | C15 | 118.6° | 120.0° |
| C21 | C22 | H22 | 119.5° | 120.0° |
| C21 | C15 | C14 | 113.9° | 109.5° |
| C21 | C15 | H151 | 108.4° | 109.4° |
| C21 | C15 | H152 | 108.3° | 109.5° |
| C15 | C14 | N13 | 109.6° | 109.4° |
| C14 | C15 | H151 | 108.4° | 109.5° |
| C14 | C15 | H152 | 108.4° | 109.5° |
| C15 | C14 | H141 | 109.4° | 109.4° |
| C15 | C14 | H142 | 109.5° | 109.5° |
| C14 | N13 | C12 | 122.4° | 111.0° |
| N13 | C14 | H141 | 109.4° | 109.5° |
| N13 | C14 | H142 | 109.4° | 109.5° |
| C14 | N13 | H13 | 106.1° | 111.0° |
| N13 | C12 | C11 | 112.1° | 109.5° |
| C12 | N13 | H13 | 106.2° | 111.0° |
| N13 | C12 | H121 | 108.8° | 109.5° |
| N13 | C12 | H122 | 108.8° | 109.5° |
| C12 | C11 | C08 | 115.1° | 109.5° |
| C11 | C12 | H121 | 108.8° | 109.5° |
| C11 | C12 | H122 | 108.8° | 109.5° |
| C12 | C11 | H111 | 108.0° | 109.5° |
| C12 | C11 | H112 | 108.0° | 109.5° |
| C11 | C08 | C07 | 117.4° | 119.5° |
| C11 | C08 | C09 | 123.5° | 119.5° |
| C08 | C11 | H111 | 108.0° | 109.5° |
| C08 | C11 | H112 | 108.0° | 109.4° |
| C07 | C08 | C09 | 119.1° | 121.0° |
| C08 | C07 | C06 | 122.1° | 120.9° |
| C08 | C07 | H07 | 119.0° | 119.6° |
| C08 | C09 | C10 | 119.3° | 119.7° |
| C08 | C09 | H09 | 120.3° | 120.1° |
| C07 | C06 | C05 | 119.3° | 119.6° |
| C06 | C07 | H07 | 118.9° | 119.6° |
| C07 | C06 | H06 | 120.3° | 120.2° |
| C06 | C05 | C10 | 120.0° | 119.6° |
| C06 | C05 | C04 | 118.6° | 121.3° |
| C05 | C06 | H06 | 120.3° | 120.2° |
| C09 | C10 | N01 | 120.6° | 121.0° |
| C09 | C10 | C05 | 120.2° | 119.1° |
| C10 | C09 | H09 | 120.4° | 120.1° |
| N01 | C10 | C05 | 119.2° | 119.9° |
| C10 | N01 | C02 | 121.8° | 121.3° |
| C10 | C05 | C04 | 121.3° | 119.1° |
| N01 | C02 | C03 | 119.6° | 121.5° |
| N01 | C02 | N02 | 120.6° | 119.3° |
| C05 | C04 | C03 | 116.6° | 118.3° |
| C05 | C04 | H04 | 121.7° | 120.8° |
| C04 | C03 | C02 | 121.5° | 119.9° |
| C03 | C04 | H04 | 121.7° | 120.9° |
| C04 | C03 | H03 | 119.2° | 120.0° |
| C03 | C02 | N02 | 119.8° | 119.2° |
| C02 | C03 | H03 | 119.2° | 120.1° |
| C02 | N02 | H021 | 109.5° | 120.0° |
| C02 | N02 | H022 | 109.5° | 120.0° |
| H151 | C15 | H152 | 109.5° | 109.4° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H021 | N02 | H022 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F23 | C23 | C24 | C22 | 179.0° | 180.0° |
| F23 | C23 | C24 | C25 | 179.8° | 180.0° |
| F23 | C23 | C22 | C21 | 179.4° | 180.0° |
| F23 | C23 | C24 | H24 | 0.2° | 0.0° |
| F23 | C23 | C22 | H22 | 0.6° | 0.0° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.3° | 0.0° |
| C24 | C23 | C22 | C21 | 0.4° | 0.0° |
| C24 | C23 | C22 | H22 | 179.6° | 180.0° |
| C23 | C24 | C25 | H25 | 179.7° | 179.7° |
| C22 | C23 | C24 | C25 | 0.8° | 0.0° |
| C23 | C22 | C21 | C26 | 0.5° | 0.0° |
| C23 | C22 | C21 | H22 | 180.0° | 180.0° |
| C23 | C22 | C21 | C15 | 179.9° | 180.0° |
| C22 | C23 | C24 | H24 | 179.2° | 180.0° |
| C24 | C25 | C26 | H25 | 180.0° | 179.7° |
| C24 | C25 | C26 | C21 | 0.6° | 0.0° |
| C24 | C25 | C26 | H26 | 179.4° | 179.7° |
| C25 | C26 | C21 | H26 | 180.0° | 179.7° |
| C25 | C26 | C21 | C22 | 1.0° | 0.0° |
| C25 | C26 | C21 | C15 | 179.6° | 180.0° |
| C26 | C25 | C24 | H24 | 179.7° | 180.0° |
| C26 | C21 | C22 | C15 | 179.4° | 180.0° |
| C26 | C21 | C15 | C14 | 41.5° | 90.0° |
| C26 | C21 | C22 | H22 | 179.5° | 180.0° |
| C21 | C26 | C25 | H25 | 179.4° | 179.7° |
| C26 | C21 | C15 | H151 | 79.1° | 30.0° |
| C26 | C21 | C15 | H152 | 162.2° | 149.9° |
| C22 | C21 | C15 | C14 | 139.1° | 90.0° |
| C22 | C21 | C26 | H26 | 179.0° | 179.7° |
| C22 | C21 | C15 | H151 | 100.2° | 150.0° |
| C22 | C21 | C15 | H152 | 18.4° | 30.1° |
| C21 | C15 | C14 | H151 | 120.7° | 120.0° |
| C21 | C15 | C14 | H152 | 120.6° | 120.0° |
| C21 | C15 | C14 | N13 | 161.0° | 180.0° |
| C15 | C21 | C22 | H22 | 0.1° | 0.0° |
| C15 | C21 | C26 | H26 | 0.3° | 0.3° |
| C21 | C15 | H151 | H152 | 118.0° | 119.9° |
| C21 | C15 | C14 | H141 | 79.0° | 60.0° |
| C21 | C15 | C14 | H142 | 41.0° | 60.0° |
| C15 | C14 | N13 | H141 | 120.0° | 120.0° |
| C15 | C14 | N13 | H142 | 120.0° | 120.0° |
| C15 | C14 | N13 | C12 | 176.5° | 180.0° |
| C14 | C15 | H151 | H152 | 118.0° | 120.1° |
| C15 | C14 | H141 | H142 | 120.0° | 120.0° |
| C15 | C14 | N13 | H13 | 61.8° | 56.1° |
| C14 | N13 | C12 | H13 | 121.8° | 124.0° |
| C14 | N13 | C12 | C11 | 99.2° | 180.0° |
| N13 | C14 | C15 | H151 | 40.4° | 60.0° |
| N13 | C14 | C15 | H152 | 78.3° | 60.0° |
| N13 | C14 | H141 | H142 | 119.9° | 120.0° |
| C14 | N13 | C12 | H121 | 140.4° | 60.0° |
| C14 | N13 | C12 | H122 | 21.2° | 60.0° |
| N13 | C12 | C11 | H121 | 120.4° | 120.0° |
| N13 | C12 | C11 | H122 | 120.4° | 120.0° |
| N13 | C12 | C11 | C08 | 141.0° | 180.0° |
| C12 | N13 | C14 | H141 | 56.4° | 60.0° |
| C12 | N13 | C14 | H142 | 63.5° | 60.0° |
| N13 | C12 | H121 | H122 | 118.8° | 120.0° |
| N13 | C12 | C11 | H111 | 98.2° | 60.0° |
| N13 | C12 | C11 | H112 | 20.2° | 60.1° |
| C12 | C11 | C08 | H111 | 120.8° | 120.0° |
| C12 | C11 | C08 | H112 | 120.8° | 120.0° |
| C12 | C11 | C08 | C07 | 101.3° | 90.0° |
| C12 | C11 | C08 | C09 | 78.2° | 90.3° |
| C11 | C12 | N13 | H13 | 22.6° | 56.0° |
| C11 | C12 | H121 | H122 | 118.8° | 120.0° |
| C12 | C11 | H111 | H112 | 117.4° | 120.0° |
| C11 | C08 | C07 | C09 | 179.5° | 179.7° |
| C11 | C08 | C07 | C06 | 178.7° | 180.0° |
| C11 | C08 | C09 | C10 | 179.2° | 180.0° |
| C08 | C11 | C12 | H121 | 20.6° | 60.0° |
| C08 | C11 | C12 | H122 | 98.6° | 60.0° |
| C08 | C11 | H111 | H112 | 117.4° | 119.9° |
| C11 | C08 | C07 | H07 | 1.3° | 0.0° |
| C11 | C08 | C09 | H09 | 0.8° | 0.0° |
| C08 | C07 | C06 | H07 | 180.0° | 179.9° |
| C08 | C07 | C06 | C05 | 1.1° | 0.1° |
| C07 | C08 | C09 | C10 | 0.3° | 0.3° |
| C07 | C08 | C11 | H111 | 19.5° | 30.0° |
| C07 | C08 | C11 | H112 | 137.9° | 150.0° |
| C07 | C08 | C09 | H09 | 179.7° | 179.8° |
| C08 | C07 | C06 | H06 | 178.9° | 179.9° |
| C09 | C08 | C07 | C06 | 0.8° | 0.2° |
| C08 | C09 | C10 | H09 | 180.0° | 179.9° |
| C08 | C09 | C10 | N01 | 179.5° | 180.0° |
| C08 | C09 | C10 | C05 | 0.1° | 0.1° |
| C09 | C08 | C11 | H111 | 161.0° | 149.7° |
| C09 | C08 | C11 | H112 | 42.6° | 29.7° |
| C09 | C08 | C07 | H07 | 179.2° | 179.7° |
| C07 | C06 | C05 | H06 | 180.0° | 179.8° |
| C07 | C06 | C05 | C10 | 0.9° | 0.4° |
| C07 | C06 | C05 | C04 | 179.7° | 180.0° |
| C06 | C05 | C10 | C09 | 0.4° | 0.3° |
| C06 | C05 | C10 | N01 | 179.8° | 179.7° |
| C06 | C05 | C10 | C04 | 179.4° | 179.7° |
| C06 | C05 | C04 | C03 | 179.9° | 179.9° |
| C05 | C06 | C07 | H07 | 178.9° | 179.9° |
| C06 | C05 | C04 | H04 | 0.1° | 0.1° |
| C09 | C10 | N01 | C05 | 179.4° | 180.0° |
| C09 | C10 | N01 | C02 | 179.3° | 179.9° |
| C09 | C10 | C05 | C04 | 179.8° | 180.0° |
| N01 | C10 | C05 | C04 | 0.8° | 0.0° |
| C10 | N01 | C02 | C03 | 1.1° | 0.3° |
| C10 | N01 | C02 | N02 | 179.9° | 180.0° |
| N01 | C10 | C09 | H09 | 0.5° | 0.0° |
| C05 | C10 | N01 | C02 | 0.1° | 0.0° |
| C10 | C05 | C04 | C03 | 0.7° | 0.3° |
| C05 | C10 | C09 | H09 | 179.9° | 180.0° |
| C10 | C05 | C06 | H06 | 179.1° | 179.8° |
| C10 | C05 | C04 | H04 | 179.3° | 179.8° |
| N01 | C02 | C03 | C04 | 1.1° | 0.6° |
| N01 | C02 | C03 | N02 | 179.0° | 179.7° |
| N01 | C02 | C03 | H03 | 178.9° | 179.9° |
| N01 | C02 | N02 | H021 | 0.0° | 0.1° |
| N01 | C02 | N02 | H022 | 120.0° | 180.0° |
| C05 | C04 | C03 | H04 | 180.0° | 180.0° |
| C05 | C04 | C03 | C02 | 0.2° | 0.5° |
| C04 | C05 | C06 | H06 | 0.3° | 0.1° |
| C05 | C04 | C03 | H03 | 179.8° | 180.0° |
| C04 | C03 | C02 | H03 | 180.0° | 179.5° |
| C04 | C03 | C02 | N02 | 179.8° | 179.8° |
| C02 | C03 | C04 | H04 | 179.8° | 179.5° |
| C03 | C02 | N02 | H021 | 179.0° | 179.8° |
| C03 | C02 | N02 | H022 | 59.0° | 0.3° |
| N02 | C02 | C03 | H03 | 0.2° | 0.3° |
| C02 | N02 | H021 | H022 | 120.0° | 179.9° |
| H24 | C24 | C25 | H25 | 0.3° | 0.3° |
| H25 | C25 | C26 | H26 | 0.6° | 0.0° |
| H151 | C15 | C14 | H141 | 160.4° | 180.0° |
| H151 | C15 | C14 | H142 | 79.7° | 60.0° |
| H152 | C15 | C14 | H141 | 41.7° | 60.0° |
| H152 | C15 | C14 | H142 | 161.6° | 180.0° |
| H141 | C14 | N13 | H13 | 178.2° | 176.0° |
| H142 | C14 | N13 | H13 | 58.3° | 63.9° |
| H13 | N13 | C12 | H121 | 97.8° | 176.1° |
| H13 | N13 | C12 | H122 | 143.0° | 64.0° |
| H121 | C12 | C11 | H111 | 141.4° | 180.0° |
| H121 | C12 | C11 | H112 | 100.2° | 60.0° |
| H122 | C12 | C11 | H111 | 22.2° | 60.0° |
| H122 | C12 | C11 | H112 | 140.6° | 180.0° |
| H07 | C07 | C06 | H06 | 1.1° | 0.1° |
| H04 | C04 | C03 | H03 | 0.2° | 0.0° |
