NOM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | HC1 | sing | 1.08Å | 1.10Å | |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | HC2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | doub | 1.41Å | 1.40Å | Aromatic |
| C3 | C10 | sing | 1.52Å | 1.43Å | |
| C4 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | C7 | sing | 1.47Å | 1.44Å | |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | O2 | sing | 1.36Å | 1.38Å | |
| C6 | HC6 | sing | 1.08Å | 1.10Å | |
| C10 | C9 | sing | 1.47Å | 1.43Å | |
| C10 | O4 | doub | 1.22Å | 1.23Å | |
| C9 | C8 | doub | 1.37Å | 1.41Å | |
| C9 | C13 | sing | 1.49Å | 1.39Å | |
| C8 | C7 | sing | 1.48Å | 1.44Å | |
| C8 | C11 | sing | 1.51Å | 1.38Å | |
| C7 | O3 | doub | 1.22Å | 1.22Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C13 | C14 | sing | 1.56Å | 1.55Å | |
| C13 | O6 | sing | 1.44Å | 1.70Å | |
| C13 | HC13 | sing | 1.09Å | 1.11Å | |
| C14 | O1 | sing | 1.41Å | 1.39Å | |
| C14 | C15 | sing | 1.53Å | 1.51Å | |
| C14 | HC14 | sing | 1.09Å | 1.12Å | |
| O1 | C11 | sing | 1.43Å | 1.42Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C11 | HC11 | sing | 1.09Å | 1.11Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C12 | H123 | sing | 1.09Å | 1.12Å | |
| C15 | C16 | sing | 1.53Å | 1.55Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| C16 | O5 | doub | 1.21Å | 1.24Å | |
| C16 | O6 | sing | 1.36Å | 1.24Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.8° | 120.5° |
| C2 | C1 | HC1 | 120.0° | 119.8° |
| C1 | C2 | C3 | 119.1° | 119.9° |
| C1 | C2 | HC2 | 120.2° | 120.0° |
| C6 | C1 | HC1 | 120.2° | 119.7° |
| C1 | C6 | C5 | 120.5° | 120.4° |
| C1 | C6 | HC6 | 119.6° | 119.8° |
| C3 | C2 | HC2 | 120.7° | 120.1° |
| C2 | C3 | C4 | 122.6° | 120.0° |
| C2 | C3 | C10 | 120.1° | 119.7° |
| C4 | C3 | C10 | 117.3° | 120.3° |
| C3 | C4 | C5 | 116.8° | 119.6° |
| C3 | C4 | C7 | 121.7° | 119.5° |
| C3 | C10 | C9 | 121.3° | 117.1° |
| C3 | C10 | O4 | 122.2° | 120.0° |
| C5 | C4 | C7 | 121.5° | 120.9° |
| C4 | C5 | C6 | 121.2° | 119.6° |
| C4 | C5 | O2 | 119.5° | 120.2° |
| C4 | C7 | C8 | 121.2° | 120.6° |
| C4 | C7 | O3 | 122.9° | 119.7° |
| C6 | C5 | O2 | 119.3° | 120.2° |
| C5 | C6 | HC6 | 119.9° | 119.8° |
| C5 | O2 | HO2 | 119.5° | 106.8° |
| C9 | C10 | O4 | 116.5° | 122.9° |
| C10 | C9 | C8 | 122.0° | 123.0° |
| C10 | C9 | C13 | 117.1° | 121.3° |
| C8 | C9 | C13 | 120.9° | 115.7° |
| C9 | C8 | C7 | 116.5° | 119.5° |
| C9 | C8 | C11 | 119.7° | 123.2° |
| C9 | C13 | C14 | 114.3° | 106.7° |
| C9 | C13 | O6 | 143.9° | 119.9° |
| C9 | C13 | HC13 | 60.1° | 109.3° |
| C7 | C8 | C11 | 123.8° | 117.3° |
| C8 | C7 | O3 | 115.9° | 119.7° |
| C8 | C11 | O1 | 123.4° | 114.3° |
| C8 | C11 | C12 | 123.5° | 108.5° |
| C8 | C11 | HC11 | 69.1° | 108.5° |
| C14 | C13 | O6 | 100.5° | 103.0° |
| C14 | C13 | HC13 | 156.7° | 108.0° |
| C13 | C14 | O1 | 117.3° | 105.6° |
| C13 | C14 | C15 | 108.0° | 98.8° |
| C13 | C14 | HC14 | 108.1° | 111.5° |
| O6 | C13 | HC13 | 91.2° | 109.3° |
| C13 | O6 | C16 | 106.7° | 109.7° |
| O1 | C14 | C15 | 116.9° | 117.7° |
| O1 | C14 | HC14 | 96.9° | 111.2° |
| C14 | O1 | C11 | 114.8° | 105.5° |
| C15 | C14 | HC14 | 108.7° | 111.2° |
| C14 | C15 | C16 | 102.3° | 101.3° |
| C14 | C15 | H151 | 114.9° | 111.1° |
| C14 | C15 | H152 | 114.9° | 111.0° |
| O1 | C11 | C12 | 110.9° | 108.5° |
| O1 | C11 | HC11 | 108.9° | 108.6° |
| C12 | C11 | HC11 | 108.5° | 108.4° |
| C11 | C12 | H121 | 107.2° | 109.4° |
| C11 | C12 | H122 | 123.5° | 109.5° |
| C11 | C12 | H123 | 107.2° | 109.4° |
| H121 | C12 | H122 | 107.3° | 109.5° |
| H121 | C12 | H123 | 102.5° | 109.5° |
| H122 | C12 | H123 | 107.2° | 109.5° |
| C16 | C15 | H151 | 115.0° | 111.1° |
| C16 | C15 | H152 | 115.0° | 111.1° |
| C15 | C16 | O5 | 117.8° | 125.4° |
| C15 | C16 | O6 | 118.2° | 109.1° |
| H151 | C15 | H152 | 95.5° | 110.9° |
| O5 | C16 | O6 | 124.0° | 125.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | HC1 | 180.0° | 180.0° |
| C1 | C2 | C3 | HC2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.5° | 0.2° |
| C1 | C2 | C3 | C10 | 179.5° | 179.1° |
| C2 | C1 | C6 | C5 | 2.2° | 0.1° |
| C2 | C1 | C6 | HC6 | 177.9° | 179.8° |
| C6 | C1 | C2 | C3 | 1.5° | 0.0° |
| C6 | C1 | C2 | HC2 | 178.4° | 180.0° |
| C1 | C6 | C5 | C4 | 1.7° | 0.0° |
| C1 | C6 | C5 | HC6 | 180.0° | 179.9° |
| C1 | C6 | C5 | O2 | 177.4° | 180.0° |
| HC1 | C1 | C2 | C3 | 178.5° | 180.0° |
| HC1 | C1 | C2 | HC2 | 1.6° | 0.0° |
| HC1 | C1 | C6 | C5 | 177.8° | 179.9° |
| HC1 | C1 | C6 | HC6 | 2.2° | 0.2° |
| C2 | C3 | C4 | C10 | 180.0° | 179.2° |
| C2 | C3 | C4 | C5 | 0.0° | 0.3° |
| C2 | C3 | C4 | C7 | 179.7° | 179.8° |
| C2 | C3 | C10 | C9 | 180.0° | 179.3° |
| C2 | C3 | C10 | O4 | 0.1° | 0.0° |
| HC2 | C2 | C3 | C4 | 179.5° | 179.8° |
| HC2 | C2 | C3 | C10 | 0.5° | 0.9° |
| C3 | C4 | C5 | C7 | 179.7° | 179.9° |
| C3 | C4 | C5 | C6 | 0.6° | 0.2° |
| C3 | C4 | C5 | O2 | 178.5° | 179.8° |
| C4 | C3 | C10 | C9 | 0.0° | 1.4° |
| C4 | C3 | C10 | O4 | 179.9° | 179.2° |
| C3 | C4 | C7 | C8 | 0.4° | 0.1° |
| C3 | C4 | C7 | O3 | 179.8° | 180.0° |
| C10 | C3 | C4 | C5 | 180.0° | 178.9° |
| C10 | C3 | C4 | C7 | 0.3° | 1.0° |
| C3 | C10 | C9 | O4 | 179.9° | 179.3° |
| C3 | C10 | C9 | C8 | 0.2° | 0.8° |
| C3 | C10 | C9 | C13 | 179.7° | 179.9° |
| C4 | C5 | C6 | O2 | 179.2° | 179.9° |
| C4 | C5 | C6 | HC6 | 178.3° | 180.0° |
| C5 | C4 | C7 | C8 | 179.9° | 180.0° |
| C5 | C4 | C7 | O3 | 0.5° | 0.0° |
| C4 | C5 | O2 | HO2 | 180.0° | 90.0° |
| C7 | C4 | C5 | C6 | 179.1° | 179.9° |
| C7 | C4 | C5 | O2 | 1.8° | 0.1° |
| C4 | C7 | C8 | C9 | 0.1° | 0.7° |
| C4 | C7 | C8 | O3 | 179.5° | 180.0° |
| C4 | C7 | C8 | C11 | 179.6° | 178.8° |
| C6 | C5 | O2 | HO2 | 0.8° | 90.0° |
| O2 | C5 | C6 | HC6 | 2.6° | 0.1° |
| C10 | C9 | C8 | C13 | 179.5° | 179.3° |
| C10 | C9 | C8 | C7 | 0.2° | 0.2° |
| C10 | C9 | C8 | C11 | 179.9° | 179.3° |
| C10 | C9 | C13 | C14 | 163.9° | 150.6° |
| C10 | C9 | C13 | O6 | 0.1° | 34.3° |
| C10 | C9 | C13 | HC13 | 41.6° | 92.8° |
| O4 | C10 | C9 | C8 | 179.9° | 179.9° |
| O4 | C10 | C9 | C13 | 0.4° | 0.6° |
| C9 | C8 | C7 | C11 | 179.7° | 179.5° |
| C9 | C8 | C7 | O3 | 179.6° | 179.3° |
| C8 | C9 | C13 | C14 | 16.6° | 30.1° |
| C8 | C9 | C13 | O6 | 179.6° | 146.4° |
| C8 | C9 | C13 | HC13 | 137.9° | 86.5° |
| C9 | C8 | C11 | O1 | 0.5° | 7.2° |
| C9 | C8 | C11 | C12 | 161.2° | 114.0° |
| C9 | C8 | C11 | HC11 | 99.9° | 128.5° |
| C13 | C9 | C8 | C7 | 179.7° | 179.1° |
| C13 | C9 | C8 | C11 | 0.6° | 1.4° |
| C9 | C13 | C14 | O6 | 170.4° | 127.1° |
| C9 | C13 | C14 | HC13 | 70.5° | 117.4° |
| C9 | C13 | O6 | HC13 | 35.2° | 127.1° |
| C9 | C13 | C14 | O1 | 34.6° | 69.8° |
| C9 | C13 | C14 | C15 | 169.1° | 168.1° |
| C9 | C13 | C14 | HC14 | 73.5° | 51.1° |
| C9 | C13 | O6 | C16 | 179.7° | 147.6° |
| C7 | C8 | C11 | O1 | 179.8° | 173.3° |
| C7 | C8 | C11 | C12 | 18.6° | 65.5° |
| C7 | C8 | C11 | HC11 | 80.4° | 52.0° |
| C11 | C8 | C7 | O3 | 0.1° | 1.1° |
| C8 | C11 | O1 | C14 | 18.3° | 44.8° |
| C8 | C11 | O1 | C12 | 163.6° | 121.2° |
| C8 | C11 | O1 | HC11 | 77.0° | 121.2° |
| C8 | C11 | C12 | HC11 | 76.7° | 117.6° |
| C8 | C11 | C12 | H121 | 54.7° | 62.4° |
| C8 | C11 | C12 | H122 | 180.0° | 57.6° |
| C8 | C11 | C12 | H123 | 54.7° | 177.6° |
| C14 | C13 | O6 | HC13 | 159.8° | 114.7° |
| C13 | C14 | O1 | C15 | 130.5° | 109.0° |
| C13 | C14 | O1 | HC14 | 114.5° | 121.1° |
| C13 | C14 | C15 | HC14 | 117.0° | 117.3° |
| C13 | C14 | O1 | C11 | 34.5° | 76.4° |
| C13 | C14 | C15 | C16 | 19.2° | 37.1° |
| C13 | C14 | C15 | H151 | 106.1° | 155.2° |
| C13 | C14 | C15 | H152 | 144.5° | 80.9° |
| C14 | C13 | O6 | C16 | 14.7° | 29.4° |
| O6 | C13 | C14 | O1 | 155.1° | 163.1° |
| O6 | C13 | C14 | C15 | 20.5° | 41.0° |
| O6 | C13 | C14 | HC14 | 96.9° | 76.0° |
| C13 | O6 | C16 | C15 | 3.3° | 4.6° |
| C13 | O6 | C16 | O5 | 176.2° | 175.3° |
| HC13 | C13 | C14 | O1 | 35.9° | 47.6° |
| HC13 | C13 | C14 | C15 | 98.6° | 74.5° |
| HC13 | C13 | C14 | HC14 | 144.0° | 168.5° |
| HC13 | C13 | O6 | C16 | 145.0° | 85.3° |
| O1 | C14 | C15 | HC14 | 108.2° | 129.8° |
| C14 | O1 | C11 | C12 | 145.3° | 76.4° |
| C14 | O1 | C11 | HC11 | 95.3° | 166.0° |
| O1 | C14 | C15 | C16 | 154.0° | 150.0° |
| O1 | C14 | C15 | H151 | 28.7° | 91.9° |
| O1 | C14 | C15 | H152 | 80.7° | 32.0° |
| C15 | C14 | O1 | C11 | 165.1° | 174.5° |
| C14 | C15 | C16 | H151 | 125.3° | 118.0° |
| C14 | C15 | C16 | H152 | 125.3° | 118.0° |
| C14 | C15 | H151 | H152 | 120.8° | 124.0° |
| C14 | C15 | C16 | O5 | 170.6° | 157.8° |
| C14 | C15 | C16 | O6 | 9.9° | 22.3° |
| HC14 | C14 | O1 | C11 | 80.0° | 44.7° |
| HC14 | C14 | C15 | C16 | 97.8° | 80.1° |
| HC14 | C14 | C15 | H151 | 136.9° | 37.9° |
| HC14 | C14 | C15 | H152 | 27.5° | 161.8° |
| O1 | C11 | C12 | HC11 | 119.6° | 117.7° |
| O1 | C11 | C12 | H121 | 141.7° | 62.3° |
| O1 | C11 | C12 | H122 | 16.4° | 177.7° |
| O1 | C11 | C12 | H123 | 108.9° | 57.7° |
| C11 | C12 | H121 | H122 | 134.5° | 120.0° |
| C11 | C12 | H121 | H123 | 112.7° | 120.0° |
| C11 | C12 | H122 | H123 | 125.3° | 120.0° |
| HC11 | C11 | C12 | H121 | 22.0° | 180.0° |
| HC11 | C11 | C12 | H122 | 103.2° | 60.0° |
| HC11 | C11 | C12 | H123 | 131.5° | 60.0° |
| H121 | C12 | H122 | H123 | 109.5° | 120.0° |
| C16 | C15 | H151 | H152 | 120.8° | 124.1° |
| C15 | C16 | O5 | O6 | 179.4° | 179.9° |
| H151 | C15 | C16 | O5 | 64.1° | 39.7° |
| H151 | C15 | C16 | O6 | 115.4° | 140.3° |
| H152 | C15 | C16 | O5 | 45.4° | 84.2° |
| H152 | C15 | C16 | O6 | 135.2° | 95.7° |
