92O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.50Å | |
| N1 | C9 | sing | 1.37Å | 1.35Å | Aromatic |
| N1 | C10 | sing | 1.38Å | 1.34Å | Aromatic |
| C2 | C3 | sing | 1.51Å | 1.53Å | |
| N2 | C13 | sing | 1.47Å | 1.46Å | |
| N2 | C14 | sing | 1.47Å | 1.46Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C10 | sing | 1.39Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.37Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.46Å | 1.40Å | Aromatic |
| C7 | C10 | doub | 1.41Å | 1.41Å | Aromatic |
| C8 | C9 | doub | 1.34Å | 1.38Å | Aromatic |
| C8 | C11 | sing | 1.51Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.49Å | |
| C11 | C15 | sing | 1.53Å | 1.49Å | |
| C12 | C13 | sing | 1.53Å | 1.50Å | |
| C14 | C15 | sing | 1.53Å | 1.50Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C1 | H13C | sing | 1.09Å | 1.10Å | |
| C2 | H21C | sing | 1.09Å | 1.10Å | |
| C2 | H22C | sing | 1.09Å | 1.10Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| N2 | H2 | sing | 1.01Å | 1.00Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 109.4° | 109.4° |
| C2 | C1 | H11C | 109.5° | 109.5° |
| C2 | C1 | H12C | 109.5° | 109.5° |
| C2 | C1 | H13C | 109.5° | 109.5° |
| C1 | C2 | H21C | 109.5° | 109.5° |
| C1 | C2 | H22C | 109.5° | 109.4° |
| C9 | N1 | C10 | 111.0° | 109.9° |
| N1 | C9 | C8 | 108.7° | 109.9° |
| C9 | N1 | H1 | 124.5° | 125.1° |
| N1 | C9 | H9 | 125.6° | 125.0° |
| N1 | C10 | C3 | 129.9° | 133.5° |
| N1 | C10 | C7 | 105.9° | 107.1° |
| C10 | N1 | H1 | 124.5° | 125.0° |
| C2 | C3 | C4 | 121.3° | 120.1° |
| C2 | C3 | C10 | 123.0° | 120.1° |
| C3 | C2 | H21C | 109.5° | 109.5° |
| C3 | C2 | H22C | 109.5° | 109.5° |
| C13 | N2 | C14 | 113.8° | 111.2° |
| N2 | C13 | C12 | 109.6° | 109.6° |
| C13 | N2 | H2 | 108.4° | 111.0° |
| N2 | C13 | H131 | 109.4° | 109.5° |
| N2 | C13 | H132 | 109.4° | 109.4° |
| N2 | C14 | C15 | 109.7° | 109.5° |
| C14 | N2 | H2 | 108.4° | 111.0° |
| N2 | C14 | H141 | 109.4° | 109.5° |
| N2 | C14 | H142 | 109.4° | 109.5° |
| C4 | C3 | C10 | 115.6° | 119.8° |
| C3 | C4 | C5 | 121.7° | 120.7° |
| C3 | C4 | H4 | 119.2° | 119.7° |
| C3 | C10 | C7 | 124.2° | 119.3° |
| C4 | C5 | C6 | 121.0° | 120.5° |
| C5 | C4 | H4 | 119.2° | 119.7° |
| C4 | C5 | H5 | 119.5° | 119.8° |
| C5 | C6 | C7 | 120.1° | 119.7° |
| C6 | C5 | H5 | 119.5° | 119.7° |
| C5 | C6 | H6 | 119.9° | 120.1° |
| C6 | C7 | C8 | 133.9° | 134.0° |
| C6 | C7 | C10 | 117.5° | 119.9° |
| C7 | C6 | H6 | 120.0° | 120.1° |
| C8 | C7 | C10 | 108.6° | 106.0° |
| C7 | C8 | C9 | 105.8° | 107.0° |
| C7 | C8 | C11 | 128.4° | 126.5° |
| C9 | C8 | C11 | 125.8° | 126.5° |
| C8 | C9 | H9 | 125.7° | 125.0° |
| C8 | C11 | C12 | 110.2° | 109.5° |
| C8 | C11 | C15 | 108.8° | 109.5° |
| C8 | C11 | H11 | 109.4° | 109.5° |
| C12 | C11 | C15 | 108.8° | 109.2° |
| C11 | C12 | C13 | 112.3° | 109.2° |
| C12 | C11 | H11 | 109.8° | 109.5° |
| C11 | C12 | H121 | 108.8° | 109.5° |
| C11 | C12 | H122 | 108.7° | 109.5° |
| C11 | C15 | C14 | 112.3° | 109.3° |
| C15 | C11 | H11 | 109.8° | 109.6° |
| C11 | C15 | H151 | 108.8° | 109.5° |
| C11 | C15 | H152 | 108.8° | 109.5° |
| C12 | C13 | H131 | 109.4° | 109.5° |
| C12 | C13 | H132 | 109.4° | 109.4° |
| C13 | C12 | H121 | 108.7° | 109.5° |
| C13 | C12 | H122 | 108.8° | 109.5° |
| C15 | C14 | H141 | 109.4° | 109.5° |
| C15 | C14 | H142 | 109.4° | 109.5° |
| C14 | C15 | H151 | 108.8° | 109.6° |
| C14 | C15 | H152 | 108.8° | 109.5° |
| H11C | C1 | H12C | 109.5° | 109.5° |
| H11C | C1 | H13C | 109.4° | 109.5° |
| H12C | C1 | H13C | 109.5° | 109.4° |
| H21C | C2 | H22C | 109.5° | 109.5° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.4° |
| H121 | C12 | H122 | 109.5° | 109.6° |
| H151 | C15 | H152 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H21C | 120.0° | 120.0° |
| C1 | C2 | C3 | H22C | 120.0° | 119.9° |
| C1 | C2 | C3 | C4 | 93.8° | 95.0° |
| C1 | C2 | C3 | C10 | 85.7° | 85.0° |
| C2 | C1 | H11C | H12C | 120.0° | 120.0° |
| C2 | C1 | H11C | H13C | 120.0° | 120.1° |
| C2 | C1 | H12C | H13C | 120.0° | 120.0° |
| C1 | C2 | H21C | H22C | 120.0° | 120.0° |
| C9 | N1 | C10 | H1 | 180.0° | 179.8° |
| C9 | N1 | C10 | C3 | 179.7° | 180.0° |
| N1 | C9 | C8 | C7 | 0.5° | 0.0° |
| C9 | N1 | C10 | C7 | 0.0° | 0.0° |
| N1 | C9 | C8 | H9 | 180.0° | 180.0° |
| N1 | C9 | C8 | C11 | 179.8° | 180.0° |
| N1 | C10 | C3 | C2 | 0.8° | 0.1° |
| N1 | C10 | C3 | C4 | 179.6° | 180.0° |
| N1 | C10 | C3 | C7 | 179.6° | 179.9° |
| N1 | C10 | C7 | C6 | 179.6° | 180.0° |
| N1 | C10 | C7 | C8 | 0.3° | 0.0° |
| C10 | N1 | C9 | C8 | 0.3° | 0.0° |
| C10 | N1 | C9 | H9 | 179.7° | 180.0° |
| C2 | C3 | C4 | C10 | 179.6° | 180.0° |
| C2 | C3 | C4 | C5 | 179.4° | 180.0° |
| C2 | C3 | C10 | C7 | 179.6° | 180.0° |
| C3 | C2 | C1 | H11C | 180.0° | 180.0° |
| C3 | C2 | C1 | H12C | 60.0° | 60.0° |
| C3 | C2 | C1 | H13C | 60.0° | 60.0° |
| C3 | C2 | H21C | H22C | 120.0° | 120.0° |
| C2 | C3 | C4 | H4 | 0.6° | 0.1° |
| C13 | N2 | C14 | H2 | 120.7° | 124.1° |
| N2 | C13 | C12 | C11 | 55.4° | 59.1° |
| N2 | C13 | C12 | H131 | 120.0° | 120.1° |
| N2 | C13 | C12 | H132 | 120.0° | 120.0° |
| C13 | N2 | C14 | C15 | 55.9° | 61.7° |
| N2 | C13 | H131 | H132 | 119.9° | 119.9° |
| C13 | N2 | C14 | H141 | 64.1° | 58.3° |
| C13 | N2 | C14 | H142 | 175.9° | 178.3° |
| N2 | C13 | C12 | H121 | 175.9° | 179.1° |
| N2 | C13 | C12 | H122 | 65.0° | 60.8° |
| N2 | C14 | C15 | C11 | 55.9° | 59.2° |
| C14 | N2 | C13 | C12 | 55.6° | 61.7° |
| N2 | C14 | C15 | H141 | 120.0° | 120.0° |
| N2 | C14 | C15 | H142 | 120.0° | 120.0° |
| C14 | N2 | C13 | H131 | 175.6° | 178.2° |
| C14 | N2 | C13 | H132 | 64.4° | 58.3° |
| N2 | C14 | H141 | H142 | 119.9° | 120.0° |
| N2 | C14 | C15 | H151 | 64.6° | 60.8° |
| N2 | C14 | C15 | H152 | 176.3° | 179.1° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.5° | 0.0° |
| C4 | C3 | C10 | C7 | 0.0° | 0.0° |
| C4 | C3 | C2 | H21C | 146.2° | 145.0° |
| C4 | C3 | C2 | H22C | 26.2° | 24.9° |
| C3 | C4 | C5 | H5 | 179.5° | 180.0° |
| C10 | C3 | C4 | C5 | 0.2° | 0.1° |
| C3 | C10 | C7 | C6 | 0.1° | 0.0° |
| C3 | C10 | C7 | C8 | 179.4° | 180.0° |
| C10 | C3 | C2 | H21C | 34.2° | 35.0° |
| C10 | C3 | C2 | H22C | 154.3° | 155.0° |
| C3 | C10 | N1 | H1 | 0.4° | 0.3° |
| C10 | C3 | C4 | H4 | 179.8° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.7° | 0.0° |
| C4 | C5 | C6 | H6 | 179.3° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 179.5° | 180.0° |
| C5 | C6 | C7 | C10 | 0.5° | 0.0° |
| C6 | C5 | C4 | H4 | 179.4° | 180.0° |
| C6 | C7 | C8 | C10 | 179.1° | 180.0° |
| C6 | C7 | C8 | C9 | 179.6° | 180.0° |
| C6 | C7 | C8 | C11 | 0.7° | 0.0° |
| C7 | C6 | C5 | H5 | 179.3° | 180.0° |
| C7 | C8 | C9 | C11 | 179.7° | 180.0° |
| C7 | C8 | C11 | C12 | 173.8° | 120.0° |
| C7 | C8 | C11 | C15 | 67.0° | 120.3° |
| C7 | C8 | C9 | H9 | 179.5° | 180.0° |
| C8 | C7 | C6 | H6 | 0.5° | 0.0° |
| C7 | C8 | C11 | H11 | 52.9° | 0.1° |
| C10 | C7 | C8 | C9 | 0.5° | 0.0° |
| C10 | C7 | C8 | C11 | 179.8° | 180.0° |
| C7 | C10 | N1 | H1 | 180.0° | 179.8° |
| C10 | C7 | C6 | H6 | 179.5° | 180.0° |
| C9 | C8 | C11 | C12 | 5.9° | 60.0° |
| C9 | C8 | C11 | C15 | 113.4° | 59.7° |
| C8 | C9 | N1 | H1 | 179.7° | 179.8° |
| C9 | C8 | C11 | H11 | 126.7° | 179.9° |
| C8 | C11 | C12 | C15 | 119.2° | 119.9° |
| C8 | C11 | C12 | H11 | 120.6° | 120.1° |
| C8 | C11 | C15 | H11 | 119.7° | 120.2° |
| C8 | C11 | C12 | C13 | 175.1° | 177.5° |
| C8 | C11 | C15 | C14 | 176.2° | 177.6° |
| C11 | C8 | C9 | H9 | 0.2° | 0.0° |
| C8 | C11 | C12 | H121 | 64.5° | 62.5° |
| C8 | C11 | C12 | H122 | 54.6° | 57.7° |
| C8 | C11 | C15 | H151 | 55.7° | 57.5° |
| C8 | C11 | C15 | H152 | 63.4° | 62.5° |
| C12 | C11 | C15 | H11 | 120.2° | 120.0° |
| C11 | C12 | C13 | H121 | 120.4° | 120.0° |
| C11 | C12 | C13 | H122 | 120.4° | 119.9° |
| C12 | C11 | C15 | C14 | 56.1° | 57.7° |
| C11 | C12 | C13 | H131 | 175.4° | 179.2° |
| C11 | C12 | C13 | H132 | 64.6° | 60.9° |
| C11 | C12 | H121 | H122 | 118.7° | 120.1° |
| C12 | C11 | C15 | H151 | 64.3° | 62.3° |
| C12 | C11 | C15 | H152 | 176.5° | 177.6° |
| C15 | C11 | C12 | C13 | 55.8° | 57.6° |
| C11 | C15 | C14 | H151 | 120.4° | 120.0° |
| C11 | C15 | C14 | H152 | 120.4° | 119.9° |
| C11 | C15 | C14 | H141 | 64.2° | 60.8° |
| C11 | C15 | C14 | H142 | 175.9° | 179.2° |
| C15 | C11 | C12 | H121 | 176.3° | 177.6° |
| C15 | C11 | C12 | H122 | 64.6° | 62.2° |
| C11 | C15 | H151 | H152 | 118.7° | 120.1° |
| C12 | C13 | N2 | H2 | 176.2° | 174.2° |
| C12 | C13 | H131 | H132 | 119.9° | 120.0° |
| C13 | C12 | C11 | H11 | 64.3° | 62.4° |
| C13 | C12 | H121 | H122 | 118.7° | 120.1° |
| C15 | C14 | N2 | H2 | 176.5° | 174.1° |
| C15 | C14 | H141 | H142 | 119.9° | 120.0° |
| C14 | C15 | C11 | H11 | 64.1° | 62.3° |
| C14 | C15 | H151 | H152 | 118.7° | 120.1° |
| H11C | C1 | H12C | H13C | 120.0° | 120.0° |
| H11C | C1 | C2 | H21C | 60.0° | 60.0° |
| H11C | C1 | C2 | H22C | 60.0° | 60.1° |
| H12C | C1 | C2 | H21C | 60.0° | 60.0° |
| H12C | C1 | C2 | H22C | 180.0° | 180.0° |
| H13C | C1 | C2 | H21C | 180.0° | 180.0° |
| H13C | C1 | C2 | H22C | 60.0° | 60.0° |
| H1 | N1 | C9 | H9 | 0.3° | 0.3° |
| H2 | N2 | C13 | H131 | 63.7° | 54.1° |
| H2 | N2 | C13 | H132 | 56.2° | 65.9° |
| H2 | N2 | C14 | H141 | 56.5° | 65.8° |
| H2 | N2 | C14 | H142 | 63.4° | 54.1° |
| H131 | C13 | C12 | H121 | 64.1° | 60.8° |
| H131 | C13 | C12 | H122 | 55.0° | 59.3° |
| H132 | C13 | C12 | H121 | 55.8° | 59.1° |
| H132 | C13 | C12 | H122 | 175.0° | 179.3° |
| H141 | C14 | C15 | H151 | 175.4° | 179.2° |
| H141 | C14 | C15 | H152 | 56.3° | 59.1° |
| H142 | C14 | C15 | H151 | 55.5° | 59.2° |
| H142 | C14 | C15 | H152 | 63.7° | 60.9° |
| H4 | C4 | C5 | H5 | 0.6° | 0.1° |
| H5 | C5 | C6 | H6 | 0.7° | 0.0° |
| H11 | C11 | C12 | H121 | 56.1° | 57.6° |
| H11 | C11 | C12 | H122 | 175.2° | 177.7° |
| H11 | C11 | C15 | H151 | 175.4° | 177.7° |
| H11 | C11 | C15 | H152 | 56.3° | 57.7° |
