ONG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C09 | doub | 1.38Å | 1.43Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.23Å | Aromatic |
| C08 | C09 | sing | 1.51Å | 1.53Å | |
| C08 | N01 | sing | 1.47Å | 1.31Å | |
| O01 | C07 | doub | 1.22Å | 1.11Å | |
| C09 | C10 | sing | 1.38Å | 1.54Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.26Å | Aromatic |
| C23 | C22 | sing | 1.53Å | 1.49Å | |
| C23 | O04 | sing | 1.43Å | 1.37Å | |
| N01 | C07 | sing | 1.35Å | 1.41Å | |
| N01 | C11 | sing | 1.47Å | 1.29Å | |
| C07 | C01 | sing | 1.48Å | 1.54Å | |
| C22 | O03 | sing | 1.43Å | 1.41Å | |
| C14 | C15 | sing | 1.38Å | 1.37Å | Aromatic |
| O04 | C19 | sing | 1.36Å | 1.39Å | |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| C10 | C15 | doub | 1.38Å | 1.62Å | Aromatic |
| O03 | C18 | sing | 1.36Å | 1.41Å | |
| C01 | C06 | doub | 1.40Å | 1.37Å | Aromatic |
| C01 | C02 | sing | 1.40Å | 1.37Å | Aromatic |
| C19 | C18 | doub | 1.39Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.48Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.52Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.36Å | Aromatic |
| C02 | C03 | doub | 1.38Å | 1.37Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.29Å | Aromatic |
| C17 | C16 | doub | 1.39Å | 1.34Å | Aromatic |
| C21 | C16 | sing | 1.39Å | 1.31Å | Aromatic |
| C16 | S01 | sing | 1.76Å | 1.74Å | |
| C05 | C04 | doub | 1.40Å | 1.35Å | Aromatic |
| C05 | S01 | sing | 1.76Å | 1.80Å | |
| C03 | C04 | sing | 1.39Å | 1.37Å | Aromatic |
| C04 | O02 | sing | 1.36Å | 1.35Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C17 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C20 | H8 | sing | 1.08Å | 1.08Å | |
| C21 | H9 | sing | 1.08Å | 1.08Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C02 | H12 | sing | 1.08Å | 1.08Å | |
| C03 | H13 | sing | 1.08Å | 1.08Å | |
| C06 | H14 | sing | 1.08Å | 1.08Å | |
| C08 | H15 | sing | 1.09Å | 1.10Å | |
| C08 | H16 | sing | 1.09Å | 1.10Å | |
| O02 | H17 | sing | 0.97Å | 0.95Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C12 | C13 | 124.2° | 120.1° |
| C12 | C09 | C08 | 146.1° | 131.2° |
| C12 | C09 | C10 | 114.6° | 120.0° |
| C09 | C12 | H3 | 117.9° | 120.0° |
| C12 | C13 | C14 | 126.8° | 119.9° |
| C13 | C12 | H3 | 117.9° | 119.9° |
| C12 | C13 | H7 | 116.6° | 120.0° |
| C09 | C08 | N01 | 116.8° | 107.7° |
| C08 | C09 | C10 | 99.3° | 108.8° |
| C09 | C08 | H15 | 107.6° | 109.8° |
| C09 | C08 | H16 | 107.6° | 109.8° |
| C08 | N01 | C07 | 127.2° | 126.6° |
| C08 | N01 | C11 | 104.7° | 106.8° |
| N01 | C08 | H15 | 107.6° | 109.5° |
| N01 | C08 | H16 | 107.6° | 110.2° |
| O01 | C07 | N01 | 122.9° | 120.0° |
| O01 | C07 | C01 | 123.0° | 120.1° |
| C09 | C10 | C11 | 100.1° | 108.9° |
| C09 | C10 | C15 | 114.8° | 119.9° |
| C13 | C14 | C15 | 126.9° | 120.0° |
| C13 | C14 | H6 | 116.6° | 120.0° |
| C14 | C13 | H7 | 116.6° | 120.1° |
| C22 | C23 | O04 | 120.2° | 108.3° |
| C23 | C22 | O03 | 115.0° | 108.2° |
| C23 | C22 | H10 | 108.1° | 109.8° |
| C23 | C22 | H11 | 108.1° | 109.7° |
| C22 | C23 | H18 | 106.7° | 109.7° |
| C22 | C23 | H19 | 106.7° | 109.7° |
| C23 | O04 | C19 | 117.8° | 116.7° |
| O04 | C23 | H18 | 106.7° | 109.7° |
| O04 | C23 | H19 | 106.7° | 109.7° |
| C07 | N01 | C11 | 128.0° | 126.6° |
| N01 | C07 | C01 | 114.1° | 120.0° |
| N01 | C11 | C10 | 117.5° | 107.7° |
| N01 | C11 | H1 | 107.4° | 109.8° |
| N01 | C11 | H2 | 107.4° | 109.8° |
| C07 | C01 | C06 | 123.1° | 120.0° |
| C07 | C01 | C02 | 117.9° | 120.1° |
| C22 | O03 | C18 | 118.9° | 116.8° |
| O03 | C22 | H10 | 108.1° | 109.7° |
| O03 | C22 | H11 | 108.1° | 109.7° |
| C14 | C15 | C10 | 112.8° | 120.1° |
| C14 | C15 | H5 | 123.6° | 119.9° |
| C15 | C14 | H6 | 116.5° | 120.0° |
| O04 | C19 | C18 | 121.5° | 120.7° |
| O04 | C19 | C20 | 122.7° | 119.4° |
| C11 | C10 | C15 | 145.2° | 131.2° |
| C10 | C11 | H1 | 107.4° | 109.8° |
| C10 | C11 | H2 | 107.4° | 109.9° |
| C10 | C15 | H5 | 123.6° | 120.0° |
| O03 | C18 | C19 | 121.4° | 120.8° |
| O03 | C18 | C17 | 120.5° | 119.3° |
| C06 | C01 | C02 | 119.0° | 119.9° |
| C01 | C06 | C05 | 117.3° | 119.8° |
| C01 | C06 | H14 | 121.3° | 120.1° |
| C01 | C02 | C03 | 122.8° | 120.0° |
| C01 | C02 | H12 | 118.6° | 120.0° |
| C18 | C19 | C20 | 115.8° | 120.0° |
| C19 | C18 | C17 | 118.1° | 119.9° |
| C19 | C20 | C21 | 121.3° | 120.2° |
| C19 | C20 | H8 | 119.3° | 119.8° |
| C18 | C17 | C16 | 119.0° | 120.0° |
| C18 | C17 | H4 | 120.5° | 120.0° |
| C06 | C05 | C04 | 124.2° | 119.9° |
| C06 | C05 | S01 | 122.9° | 120.0° |
| C05 | C06 | H14 | 121.3° | 120.1° |
| C02 | C03 | C04 | 117.8° | 120.2° |
| C03 | C02 | H12 | 118.6° | 120.0° |
| C02 | C03 | H13 | 121.1° | 119.9° |
| C20 | C21 | C16 | 125.1° | 120.1° |
| C21 | C20 | H8 | 119.4° | 120.0° |
| C20 | C21 | H9 | 117.5° | 120.0° |
| C17 | C16 | C21 | 120.7° | 119.9° |
| C17 | C16 | S01 | 115.3° | 120.0° |
| C16 | C17 | H4 | 120.5° | 120.0° |
| C21 | C16 | S01 | 123.8° | 120.1° |
| C16 | C21 | H9 | 117.5° | 120.0° |
| C16 | S01 | C05 | 107.3° | 103.0° |
| C04 | C05 | S01 | 112.9° | 120.0° |
| C05 | C04 | C03 | 118.9° | 120.1° |
| C05 | C04 | O02 | 117.4° | 120.0° |
| C03 | C04 | O02 | 123.8° | 119.9° |
| C04 | C03 | H13 | 121.1° | 119.9° |
| C04 | O02 | H17 | 109.5° | 114.0° |
| H1 | C11 | H2 | 109.5° | 109.8° |
| H10 | C22 | H11 | 109.5° | 109.7° |
| H15 | C08 | H16 | 109.5° | 109.9° |
| H18 | C23 | H19 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C12 | C13 | H3 | 180.0° | 179.7° |
| C12 | C09 | C08 | C10 | 177.9° | 179.1° |
| C12 | C09 | C08 | N01 | 174.0° | 179.5° |
| C09 | C12 | C13 | C14 | 0.0° | 0.3° |
| C12 | C09 | C10 | C11 | 179.0° | 179.7° |
| C12 | C09 | C10 | C15 | 1.3° | 0.6° |
| C09 | C12 | C13 | H7 | 180.0° | 179.9° |
| C12 | C09 | C08 | H15 | 52.9° | 60.4° |
| C12 | C09 | C08 | H16 | 65.0° | 60.4° |
| C13 | C12 | C09 | C08 | 178.8° | 179.7° |
| C13 | C12 | C09 | C10 | 1.0° | 0.6° |
| C12 | C13 | C14 | H7 | 180.0° | 179.7° |
| C12 | C13 | C14 | C15 | 0.6° | 0.0° |
| C12 | C13 | C14 | H6 | 179.5° | 179.9° |
| C09 | C08 | N01 | H15 | 121.0° | 119.3° |
| C09 | C08 | N01 | H16 | 121.0° | 119.7° |
| C09 | C08 | N01 | C07 | 163.2° | 179.8° |
| C09 | C08 | N01 | C11 | 12.9° | 0.2° |
| C08 | C09 | C10 | C11 | 0.3° | 0.5° |
| C08 | C09 | C10 | C15 | 179.9° | 179.9° |
| C08 | C09 | C12 | H3 | 1.3° | 0.1° |
| C09 | C08 | H15 | H16 | 116.6° | 120.8° |
| C08 | N01 | C07 | O01 | 1.8° | 174.8° |
| N01 | C08 | C09 | C10 | 8.1° | 0.4° |
| C08 | N01 | C07 | C11 | 175.2° | 180.0° |
| C08 | N01 | C07 | C01 | 178.2° | 5.3° |
| C08 | N01 | C11 | C10 | 12.7° | 0.0° |
| C08 | N01 | C11 | H1 | 133.8° | 119.6° |
| C08 | N01 | C11 | H2 | 108.4° | 119.6° |
| N01 | C08 | H15 | H16 | 116.7° | 121.1° |
| O01 | C07 | N01 | C01 | 180.0° | 179.9° |
| O01 | C07 | N01 | C11 | 177.0° | 5.2° |
| O01 | C07 | C01 | C06 | 102.8° | 7.5° |
| O01 | C07 | C01 | C02 | 79.4° | 172.2° |
| C09 | C10 | C11 | N01 | 7.7° | 0.3° |
| C09 | C10 | C15 | C14 | 0.9° | 0.3° |
| C09 | C10 | C11 | C15 | 179.4° | 179.6° |
| C09 | C10 | C11 | H1 | 128.8° | 119.8° |
| C09 | C10 | C11 | H2 | 113.5° | 119.3° |
| C10 | C09 | C12 | H3 | 179.0° | 179.1° |
| C09 | C10 | C15 | H5 | 179.1° | 179.7° |
| C10 | C09 | C08 | H15 | 129.1° | 118.7° |
| C10 | C09 | C08 | H16 | 113.0° | 120.5° |
| C13 | C14 | C15 | H6 | 180.0° | 179.9° |
| C13 | C14 | C15 | C10 | 0.0° | 0.0° |
| C14 | C13 | C12 | H3 | 180.0° | 179.4° |
| C13 | C14 | C15 | H5 | 180.0° | 180.0° |
| C22 | C23 | O04 | H18 | 121.5° | 119.7° |
| C22 | C23 | O04 | H19 | 121.5° | 119.7° |
| C23 | C22 | O03 | H10 | 120.8° | 119.8° |
| C23 | C22 | O03 | H11 | 120.8° | 119.6° |
| C22 | C23 | O04 | C19 | 22.3° | 46.3° |
| C23 | C22 | O03 | C18 | 19.1° | 46.2° |
| C23 | C22 | H10 | H11 | 117.5° | 120.6° |
| C22 | C23 | H18 | H19 | 115.1° | 120.6° |
| O04 | C23 | C22 | O03 | 27.8° | 59.7° |
| C23 | O04 | C19 | C18 | 8.4° | 17.4° |
| C23 | O04 | C19 | C20 | 170.4° | 162.7° |
| O04 | C23 | C22 | H10 | 148.6° | 179.4° |
| O04 | C23 | C22 | H11 | 93.1° | 60.0° |
| O04 | C23 | H18 | H19 | 115.1° | 120.6° |
| C07 | N01 | C11 | C10 | 163.4° | 179.9° |
| N01 | C07 | C01 | C06 | 77.2° | 172.4° |
| N01 | C07 | C01 | C02 | 100.6° | 7.9° |
| C07 | N01 | C11 | H1 | 42.2° | 60.4° |
| C07 | N01 | C11 | H2 | 75.5° | 60.4° |
| C07 | N01 | C08 | H15 | 42.2° | 60.9° |
| C07 | N01 | C08 | H16 | 75.7° | 60.0° |
| C11 | N01 | C07 | C01 | 3.0° | 174.7° |
| N01 | C11 | C10 | H1 | 121.2° | 119.5° |
| N01 | C11 | C10 | H2 | 121.1° | 119.6° |
| N01 | C11 | C10 | C15 | 171.7° | 179.9° |
| N01 | C11 | H1 | H2 | 116.4° | 120.9° |
| C11 | N01 | C08 | H15 | 133.9° | 119.1° |
| C11 | N01 | C08 | H16 | 108.2° | 120.0° |
| C07 | C01 | C06 | C02 | 177.8° | 179.7° |
| C07 | C01 | C06 | C05 | 179.6° | 179.8° |
| C07 | C01 | C02 | C03 | 179.9° | 179.7° |
| C07 | C01 | C02 | H12 | 0.1° | 0.3° |
| C07 | C01 | C06 | H14 | 0.4° | 0.3° |
| C22 | O03 | C18 | C19 | 6.6° | 17.4° |
| C22 | O03 | C18 | C17 | 174.3° | 162.8° |
| O03 | C22 | H10 | H11 | 117.5° | 120.6° |
| O03 | C22 | C23 | H18 | 149.3° | 60.0° |
| O03 | C22 | C23 | H19 | 93.7° | 179.4° |
| C14 | C15 | C10 | C11 | 179.8° | 179.9° |
| C14 | C15 | C10 | H5 | 180.0° | 180.0° |
| C15 | C14 | C13 | H7 | 179.5° | 179.7° |
| O04 | C19 | C18 | O03 | 0.3° | 0.6° |
| O04 | C19 | C18 | C20 | 178.9° | 179.9° |
| O04 | C19 | C18 | C17 | 179.4° | 179.6° |
| O04 | C19 | C20 | C21 | 179.6° | 179.4° |
| O04 | C19 | C20 | H8 | 0.4° | 0.3° |
| C19 | O04 | C23 | H18 | 143.8° | 73.4° |
| C19 | O04 | C23 | H19 | 99.2° | 166.0° |
| C10 | C11 | H1 | H2 | 116.3° | 120.9° |
| C11 | C10 | C15 | H5 | 0.3° | 0.1° |
| C15 | C10 | C11 | H1 | 50.6° | 60.5° |
| C15 | C10 | C11 | H2 | 67.1° | 60.3° |
| C10 | C15 | C14 | H6 | 180.0° | 179.9° |
| O03 | C18 | C19 | C17 | 179.1° | 179.8° |
| O03 | C18 | C19 | C20 | 178.5° | 179.6° |
| O03 | C18 | C17 | C16 | 178.4° | 179.7° |
| O03 | C18 | C17 | H4 | 1.6° | 0.1° |
| C18 | O03 | C22 | H10 | 139.9° | 166.0° |
| C18 | O03 | C22 | H11 | 101.7° | 73.4° |
| C01 | C06 | C05 | H14 | 180.0° | 180.0° |
| C06 | C01 | C02 | C03 | 2.2° | 0.0° |
| C01 | C06 | C05 | C04 | 1.1° | 0.0° |
| C01 | C06 | C05 | S01 | 179.3° | 180.0° |
| C06 | C01 | C02 | H12 | 177.8° | 180.0° |
| C02 | C01 | C06 | C05 | 1.8° | 0.0° |
| C01 | C02 | C03 | H12 | 180.0° | 180.0° |
| C01 | C02 | C03 | C04 | 1.7° | 0.0° |
| C01 | C02 | C03 | H13 | 178.3° | 179.9° |
| C02 | C01 | C06 | H14 | 178.2° | 180.0° |
| C18 | C19 | C20 | C21 | 0.7° | 0.4° |
| C19 | C18 | C17 | C16 | 0.6° | 0.1° |
| C19 | C18 | C17 | H4 | 179.4° | 179.9° |
| C18 | C19 | C20 | H8 | 179.3° | 179.8° |
| C20 | C19 | C18 | C17 | 0.5° | 0.2° |
| C19 | C20 | C21 | H8 | 180.0° | 179.8° |
| C19 | C20 | C21 | C16 | 1.0° | 0.5° |
| C19 | C20 | C21 | H9 | 179.0° | 180.0° |
| C18 | C17 | C16 | H4 | 180.0° | 179.8° |
| C18 | C17 | C16 | C21 | 0.9° | 0.2° |
| C18 | C17 | C16 | S01 | 177.1° | 179.7° |
| C06 | C05 | S01 | C16 | 5.2° | 5.1° |
| C06 | C05 | C04 | S01 | 179.6° | 180.0° |
| C06 | C05 | C04 | C03 | 0.7° | 0.0° |
| C06 | C05 | C04 | O02 | 179.7° | 180.0° |
| C02 | C03 | C04 | C05 | 0.9° | 0.0° |
| C02 | C03 | C04 | H13 | 180.0° | 180.0° |
| C02 | C03 | C04 | O02 | 179.4° | 180.0° |
| C20 | C21 | C16 | C17 | 1.1° | 0.4° |
| C20 | C21 | C16 | H9 | 180.0° | 179.5° |
| C20 | C21 | C16 | S01 | 177.0° | 179.5° |
| C17 | C16 | C21 | S01 | 175.9° | 180.0° |
| C17 | C16 | S01 | C05 | 96.9° | 85.0° |
| C17 | C16 | C21 | H9 | 178.9° | 179.9° |
| C21 | C16 | S01 | C05 | 87.0° | 95.0° |
| C21 | C16 | C17 | H4 | 179.1° | 180.0° |
| C16 | C21 | C20 | H8 | 179.0° | 179.7° |
| C16 | S01 | C05 | C04 | 175.2° | 174.9° |
| S01 | C16 | C17 | H4 | 2.9° | 0.1° |
| S01 | C16 | C21 | H9 | 3.0° | 0.0° |
| C05 | C04 | C03 | O02 | 179.6° | 179.9° |
| C05 | C04 | C03 | H13 | 179.1° | 179.9° |
| C04 | C05 | C06 | H14 | 178.9° | 180.0° |
| C05 | C04 | O02 | H17 | 180.0° | 90.0° |
| S01 | C05 | C04 | C03 | 179.7° | 180.0° |
| S01 | C05 | C04 | O02 | 0.0° | 0.1° |
| S01 | C05 | C06 | H14 | 0.7° | 0.0° |
| C04 | C03 | C02 | H12 | 178.2° | 180.0° |
| C03 | C04 | O02 | H17 | 0.3° | 90.0° |
| O02 | C04 | C03 | H13 | 0.5° | 0.0° |
| H3 | C12 | C13 | H7 | 0.0° | 0.3° |
| H5 | C15 | C14 | H6 | 0.0° | 0.1° |
| H6 | C14 | C13 | H7 | 0.5° | 0.4° |
| H8 | C20 | C21 | H9 | 1.0° | 0.2° |
| H10 | C22 | C23 | H18 | 89.9° | 59.8° |
| H10 | C22 | C23 | H19 | 27.1° | 60.9° |
| H11 | C22 | C23 | H18 | 28.5° | 179.6° |
| H11 | C22 | C23 | H19 | 145.4° | 59.8° |
| H12 | C02 | C03 | H13 | 1.8° | 0.0° |






