N9G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | C4 | doub | 1.22Å | 1.22Å | |
| N16 | C15 | doub | 1.32Å | 1.33Å | Aromatic |
| N16 | C11 | sing | 1.33Å | 1.33Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| N10 | C11 | sing | 1.39Å | 1.39Å | |
| N10 | C9 | sing | 1.39Å | 1.39Å | |
| C11 | C12 | doub | 1.39Å | 1.41Å | Aromatic |
| C9 | C8 | doub | 1.39Å | 1.41Å | Aromatic |
| C9 | N28 | sing | 1.33Å | 1.34Å | Aromatic |
| C8 | C7 | sing | 1.37Å | 1.38Å | Aromatic |
| N28 | C29 | doub | 1.32Å | 1.33Å | Aromatic |
| C14 | C13 | doub | 1.40Å | 1.40Å | Aromatic |
| C7 | C6 | doub | 1.40Å | 1.42Å | Aromatic |
| C29 | C6 | sing | 1.40Å | 1.41Å | Aromatic |
| C6 | C4 | sing | 1.48Å | 1.49Å | |
| C4 | N2 | sing | 1.35Å | 1.37Å | |
| C12 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | N17 | sing | 1.40Å | 1.40Å | |
| N17 | C18 | sing | 1.47Å | 1.49Å | |
| N17 | C26 | sing | 1.34Å | 1.35Å | |
| C18 | C19 | sing | 1.55Å | 1.57Å | |
| C19 | C20 | sing | 1.55Å | 1.55Å | |
| N2 | C1 | sing | 1.46Å | 1.47Å | |
| N2 | C3 | sing | 1.46Å | 1.47Å | |
| C26 | O27 | doub | 1.21Å | 1.21Å | |
| C26 | C20 | sing | 1.51Å | 1.50Å | |
| C21 | N22 | trip | 1.14Å | 1.14Å | |
| C21 | C20 | sing | 1.47Å | 1.48Å | |
| C20 | C23 | sing | 1.53Å | 1.54Å | |
| C23 | C25 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| N10 | H12 | sing | 0.97Å | 1.00Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C29 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | C4 | C6 | 118.8° | 120.0° |
| O5 | C4 | N2 | 119.1° | 120.0° |
| C15 | N16 | C11 | 121.0° | 121.8° |
| N16 | C15 | C14 | 120.8° | 121.0° |
| N16 | C15 | H3 | 119.6° | 119.6° |
| N16 | C11 | N10 | 119.0° | 119.6° |
| N16 | C11 | C12 | 120.8° | 120.7° |
| C15 | C14 | C13 | 120.6° | 119.2° |
| C14 | C15 | H3 | 119.6° | 119.5° |
| C15 | C14 | H14 | 119.7° | 120.4° |
| C11 | N10 | C9 | 120.6° | 120.0° |
| N10 | C11 | C12 | 120.1° | 119.7° |
| C11 | N10 | H12 | 119.7° | 120.0° |
| N10 | C9 | C8 | 120.0° | 119.6° |
| N10 | C9 | N28 | 118.8° | 119.5° |
| C9 | N10 | H12 | 119.7° | 120.0° |
| C11 | C12 | C13 | 119.8° | 119.0° |
| C11 | C12 | H13 | 120.1° | 120.5° |
| C8 | C9 | N28 | 121.3° | 120.9° |
| C9 | C8 | C7 | 118.5° | 119.4° |
| C9 | C8 | H2 | 120.7° | 120.3° |
| C9 | N28 | C29 | 122.0° | 121.6° |
| C8 | C7 | C6 | 119.0° | 118.5° |
| C8 | C7 | H1 | 120.5° | 120.8° |
| C7 | C8 | H2 | 120.8° | 120.3° |
| N28 | C29 | C6 | 120.0° | 120.6° |
| N28 | C29 | H22 | 120.0° | 119.7° |
| C14 | C13 | C12 | 116.9° | 118.4° |
| C14 | C13 | N17 | 122.1° | 120.8° |
| C13 | C14 | H14 | 119.7° | 120.4° |
| C7 | C6 | C29 | 119.2° | 119.0° |
| C7 | C6 | C4 | 121.5° | 120.5° |
| C6 | C7 | H1 | 120.5° | 120.8° |
| C29 | C6 | C4 | 119.3° | 120.5° |
| C6 | C29 | H22 | 120.0° | 119.7° |
| C6 | C4 | N2 | 122.1° | 120.0° |
| C4 | N2 | C1 | 120.3° | 120.0° |
| C4 | N2 | C3 | 121.3° | 120.0° |
| C12 | C13 | N17 | 120.9° | 120.8° |
| C13 | C12 | H13 | 120.1° | 120.5° |
| C13 | N17 | C18 | 127.5° | 124.4° |
| C13 | N17 | C26 | 123.2° | 124.4° |
| C18 | N17 | C26 | 109.3° | 111.3° |
| N17 | C18 | C19 | 104.2° | 105.5° |
| N17 | C18 | H15 | 110.8° | 110.2° |
| N17 | C18 | H16 | 110.8° | 110.3° |
| N17 | C26 | O27 | 126.8° | 124.9° |
| N17 | C26 | C20 | 110.4° | 110.1° |
| C18 | C19 | C20 | 98.8° | 101.6° |
| C19 | C18 | H15 | 110.8° | 110.2° |
| C19 | C18 | H16 | 110.8° | 110.2° |
| C18 | C19 | H17 | 112.1° | 111.0° |
| C18 | C19 | H18 | 112.1° | 111.0° |
| C19 | C20 | C26 | 103.5° | 104.4° |
| C19 | C20 | C21 | 122.0° | 110.5° |
| C19 | C20 | C23 | 103.0° | 110.5° |
| C20 | C19 | H17 | 112.1° | 111.0° |
| C20 | C19 | H18 | 112.1° | 111.0° |
| C1 | N2 | C3 | 118.4° | 120.0° |
| N2 | C1 | H6 | 109.5° | 109.5° |
| N2 | C1 | H7 | 109.5° | 109.5° |
| N2 | C1 | H8 | 109.5° | 109.5° |
| N2 | C3 | H9 | 109.5° | 109.4° |
| N2 | C3 | H10 | 109.5° | 109.5° |
| N2 | C3 | H11 | 109.5° | 109.5° |
| O27 | C26 | C20 | 122.8° | 125.0° |
| C26 | C20 | C21 | 106.8° | 110.5° |
| C26 | C20 | C23 | 111.6° | 110.5° |
| N22 | C21 | C20 | 173.8° | 180.0° |
| C21 | C20 | C23 | 109.7° | 110.4° |
| C20 | C23 | C25 | 119.7° | 117.5° |
| C20 | C23 | C24 | 119.8° | 117.5° |
| C20 | C23 | H19 | 115.2° | 115.5° |
| C25 | C23 | C24 | 60.7° | 60.0° |
| C23 | C25 | C24 | 59.4° | 60.0° |
| C25 | C23 | H19 | 115.3° | 117.5° |
| C23 | C25 | H20 | 120.1° | 117.5° |
| C23 | C25 | H21 | 120.1° | 117.5° |
| C23 | C24 | C25 | 60.0° | 60.0° |
| C23 | C24 | H4 | 120.0° | 117.5° |
| C23 | C24 | H5 | 120.0° | 117.4° |
| C24 | C23 | H19 | 115.4° | 117.5° |
| C25 | C24 | H4 | 120.0° | 117.5° |
| C25 | C24 | H5 | 120.0° | 117.5° |
| C24 | C25 | H20 | 120.1° | 117.5° |
| C24 | C25 | H21 | 120.1° | 117.5° |
| H4 | C24 | H5 | 109.5° | 115.6° |
| H6 | C1 | H7 | 109.4° | 109.4° |
| H6 | C1 | H8 | 109.5° | 109.4° |
| H7 | C1 | H8 | 109.5° | 109.5° |
| H9 | C3 | H10 | 109.5° | 109.5° |
| H9 | C3 | H11 | 109.5° | 109.5° |
| H10 | C3 | H11 | 109.4° | 109.5° |
| H15 | C18 | H16 | 109.4° | 110.3° |
| H17 | C19 | H18 | 109.5° | 111.0° |
| H20 | C25 | H21 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C4 | C6 | C7 | 80.6° | 31.4° |
| O5 | C4 | C6 | C29 | 99.0° | 148.3° |
| O5 | C4 | C6 | N2 | 179.7° | 179.8° |
| O5 | C4 | N2 | C1 | 0.2° | 5.9° |
| O5 | C4 | N2 | C3 | 179.9° | 174.2° |
| N16 | C15 | C14 | H3 | 180.0° | 179.9° |
| C15 | N16 | C11 | N10 | 179.3° | 179.7° |
| C15 | N16 | C11 | C12 | 1.0° | 0.3° |
| N16 | C15 | C14 | C13 | 0.8° | 0.1° |
| N16 | C15 | C14 | H14 | 179.2° | 180.0° |
| C11 | N16 | C15 | C14 | 0.5° | 0.3° |
| N16 | C11 | N10 | C12 | 179.7° | 180.0° |
| N16 | C11 | N10 | C9 | 165.8° | 5.3° |
| N16 | C11 | C12 | C13 | 1.8° | 0.0° |
| C11 | N16 | C15 | H3 | 179.5° | 179.7° |
| N16 | C11 | N10 | H12 | 14.3° | 174.8° |
| N16 | C11 | C12 | H13 | 178.2° | 180.0° |
| C15 | C14 | C13 | H14 | 180.0° | 179.9° |
| C15 | C14 | C13 | C12 | 1.5° | 0.2° |
| C15 | C14 | C13 | N17 | 178.0° | 180.0° |
| C11 | N10 | C9 | H12 | 180.0° | 180.0° |
| C11 | N10 | C9 | C8 | 174.6° | 174.8° |
| C11 | N10 | C9 | N28 | 5.4° | 5.2° |
| N10 | C11 | C12 | C13 | 178.6° | 180.0° |
| N10 | C11 | C12 | H13 | 1.5° | 0.0° |
| C9 | N10 | C11 | C12 | 14.6° | 174.8° |
| N10 | C9 | C8 | N28 | 179.9° | 180.0° |
| N10 | C9 | C8 | C7 | 179.7° | 180.0° |
| N10 | C9 | N28 | C29 | 180.0° | 179.7° |
| N10 | C9 | C8 | H2 | 0.3° | 0.0° |
| C11 | C12 | C13 | C14 | 2.0° | 0.2° |
| C11 | C12 | C13 | H13 | 180.0° | 180.0° |
| C11 | C12 | C13 | N17 | 178.5° | 180.0° |
| C12 | C11 | N10 | H12 | 165.4° | 5.2° |
| C9 | C8 | C7 | H2 | 180.0° | 180.0° |
| C8 | C9 | N28 | C29 | 0.0° | 0.3° |
| C9 | C8 | C7 | C6 | 0.1° | 0.1° |
| C9 | C8 | C7 | H1 | 179.9° | 180.0° |
| C8 | C9 | N10 | H12 | 5.4° | 5.2° |
| N28 | C9 | C8 | C7 | 0.3° | 0.0° |
| C9 | N28 | C29 | C6 | 0.5° | 0.6° |
| N28 | C9 | C8 | H2 | 179.7° | 180.0° |
| N28 | C9 | N10 | H12 | 174.6° | 174.8° |
| C9 | N28 | C29 | H22 | 179.6° | 180.0° |
| C8 | C7 | C6 | H1 | 180.0° | 179.9° |
| C8 | C7 | C6 | C29 | 0.3° | 0.3° |
| C8 | C7 | C6 | C4 | 179.9° | 180.0° |
| N28 | C29 | C6 | C7 | 0.6° | 0.6° |
| N28 | C29 | C6 | H22 | 180.0° | 179.4° |
| N28 | C29 | C6 | C4 | 179.8° | 179.7° |
| C14 | C13 | C12 | N17 | 176.5° | 179.8° |
| C14 | C13 | N17 | C18 | 164.1° | 0.2° |
| C14 | C13 | N17 | C26 | 19.7° | 179.7° |
| C13 | C14 | C15 | H3 | 179.2° | 180.0° |
| C14 | C13 | C12 | H13 | 178.0° | 179.8° |
| C7 | C6 | C29 | C4 | 179.6° | 179.7° |
| C7 | C6 | C4 | N2 | 99.7° | 148.9° |
| C6 | C7 | C8 | H2 | 179.9° | 180.0° |
| C7 | C6 | C29 | H22 | 179.4° | 180.0° |
| C29 | C6 | C4 | N2 | 80.7° | 31.5° |
| C29 | C6 | C7 | H1 | 179.7° | 179.7° |
| C6 | C4 | N2 | C1 | 179.8° | 173.9° |
| C6 | C4 | N2 | C3 | 0.4° | 6.0° |
| C4 | C6 | C7 | H1 | 0.1° | 0.1° |
| C4 | C6 | C29 | H22 | 0.2° | 0.3° |
| C4 | N2 | C1 | C3 | 179.7° | 180.0° |
| C4 | N2 | C1 | H6 | 180.0° | 90.0° |
| C4 | N2 | C1 | H7 | 60.0° | 150.0° |
| C4 | N2 | C1 | H8 | 60.0° | 29.9° |
| C4 | N2 | C3 | H9 | 180.0° | 5.9° |
| C4 | N2 | C3 | H10 | 60.0° | 114.1° |
| C4 | N2 | C3 | H11 | 60.0° | 125.9° |
| C12 | C13 | N17 | C18 | 19.6° | 180.0° |
| C12 | C13 | N17 | C26 | 156.7° | 0.1° |
| C12 | C13 | C14 | H14 | 178.5° | 179.8° |
| C13 | N17 | C18 | C26 | 176.7° | 179.9° |
| C13 | N17 | C18 | C19 | 160.2° | 163.0° |
| C13 | N17 | C26 | O27 | 2.1° | 0.2° |
| C13 | N17 | C26 | C20 | 177.1° | 179.6° |
| N17 | C13 | C12 | H13 | 1.5° | 0.0° |
| N17 | C13 | C14 | H14 | 2.0° | 0.0° |
| C13 | N17 | C18 | H15 | 41.0° | 44.0° |
| C13 | N17 | C18 | H16 | 80.6° | 77.9° |
| N17 | C18 | C19 | H15 | 119.2° | 119.0° |
| N17 | C18 | C19 | H16 | 119.2° | 119.1° |
| N17 | C18 | C19 | C20 | 34.7° | 25.4° |
| C18 | N17 | C26 | O27 | 179.0° | 179.7° |
| C18 | N17 | C26 | C20 | 0.3° | 0.4° |
| N17 | C18 | H15 | H16 | 122.4° | 122.0° |
| N17 | C18 | C19 | H17 | 83.5° | 143.5° |
| N17 | C18 | C19 | H18 | 152.9° | 92.6° |
| C26 | N17 | C18 | C19 | 23.1° | 17.1° |
| N17 | C26 | C20 | C19 | 22.9° | 16.3° |
| N17 | C26 | O27 | C20 | 179.1° | 179.9° |
| N17 | C26 | C20 | C21 | 152.9° | 135.0° |
| N17 | C26 | C20 | C23 | 87.2° | 102.5° |
| C26 | N17 | C18 | H15 | 142.3° | 136.0° |
| C26 | N17 | C18 | H16 | 96.1° | 102.0° |
| C18 | C19 | C20 | H17 | 118.2° | 118.1° |
| C18 | C19 | C20 | H18 | 118.2° | 118.0° |
| C18 | C19 | C20 | C26 | 34.1° | 24.8° |
| C18 | C19 | C20 | C21 | 154.2° | 143.6° |
| C18 | C19 | C20 | C23 | 82.2° | 94.0° |
| C19 | C18 | H15 | H16 | 122.4° | 121.9° |
| C18 | C19 | H17 | H18 | 125.0° | 123.9° |
| C19 | C20 | C26 | O27 | 157.8° | 163.6° |
| C19 | C20 | C26 | C21 | 130.0° | 118.8° |
| C19 | C20 | C26 | C23 | 110.1° | 118.7° |
| C19 | C20 | C21 | N22 | 162.3° | 107.9° |
| C19 | C20 | C21 | C23 | 120.4° | 122.5° |
| C19 | C20 | C23 | C25 | 112.8° | 178.2° |
| C19 | C20 | C23 | C24 | 176.1° | 109.6° |
| C20 | C19 | C18 | H15 | 153.9° | 144.4° |
| C20 | C19 | C18 | H16 | 84.5° | 93.6° |
| C20 | C19 | H17 | H18 | 125.0° | 124.0° |
| C19 | C20 | C23 | H19 | 31.5° | 36.2° |
| N2 | C1 | H6 | H7 | 120.0° | 120.0° |
| N2 | C1 | H6 | H8 | 120.0° | 120.0° |
| N2 | C1 | H7 | H8 | 120.0° | 120.1° |
| C1 | N2 | C3 | H9 | 0.3° | 174.2° |
| C1 | N2 | C3 | H10 | 119.7° | 65.9° |
| C1 | N2 | C3 | H11 | 120.3° | 54.2° |
| C3 | N2 | C1 | H6 | 0.3° | 90.0° |
| C3 | N2 | C1 | H7 | 120.3° | 30.0° |
| C3 | N2 | C1 | H8 | 119.8° | 150.0° |
| N2 | C3 | H9 | H10 | 120.0° | 119.9° |
| N2 | C3 | H9 | H11 | 120.0° | 120.0° |
| N2 | C3 | H10 | H11 | 120.0° | 120.0° |
| O27 | C26 | C20 | C21 | 27.9° | 44.8° |
| O27 | C26 | C20 | C23 | 92.1° | 77.7° |
| C26 | C20 | C21 | N22 | 79.3° | 137.2° |
| C26 | C20 | C21 | C23 | 121.2° | 122.5° |
| C26 | C20 | C23 | C25 | 136.8° | 63.3° |
| C26 | C20 | C23 | C24 | 65.7° | 5.4° |
| C26 | C20 | C19 | H17 | 84.1° | 142.8° |
| C26 | C20 | C19 | H18 | 152.4° | 93.2° |
| C26 | C20 | C23 | H19 | 79.0° | 151.1° |
| N22 | C21 | C20 | C23 | 41.9° | 14.6° |
| C21 | C20 | C23 | C25 | 18.6° | 59.3° |
| C21 | C20 | C23 | C24 | 52.6° | 127.9° |
| C21 | C20 | C19 | H17 | 36.0° | 98.4° |
| C21 | C20 | C19 | H18 | 87.5° | 25.6° |
| C21 | C20 | C23 | H19 | 162.8° | 86.4° |
| C20 | C23 | C25 | C24 | 109.6° | 107.5° |
| C20 | C23 | C25 | H19 | 144.2° | 145.0° |
| C20 | C23 | C24 | H19 | 144.5° | 145.1° |
| C20 | C23 | C24 | H4 | 141.1° | 145.0° |
| C20 | C23 | C24 | H5 | 0.1° | 0.0° |
| C23 | C20 | C19 | H17 | 159.5° | 24.1° |
| C23 | C20 | C19 | H18 | 36.0° | 148.0° |
| C20 | C23 | C25 | H20 | 0.3° | 145.0° |
| C20 | C23 | C25 | H21 | 141.2° | 0.1° |
| C25 | C23 | C24 | H19 | 106.0° | 107.5° |
| C23 | C25 | C24 | H20 | 109.3° | 107.5° |
| C23 | C25 | C24 | H21 | 109.3° | 107.5° |
| C25 | C23 | C24 | H4 | 109.4° | 107.5° |
| C25 | C23 | C24 | H5 | 109.4° | 107.5° |
| C23 | C25 | H20 | H21 | 145.1° | 145.7° |
| C23 | C24 | H4 | H5 | 144.8° | 145.6° |
| C25 | C24 | H4 | H5 | 144.7° | 145.7° |
| C24 | C25 | H20 | H21 | 145.1° | 145.7° |
| H1 | C7 | C8 | H2 | 0.1° | 0.0° |
| H3 | C15 | C14 | H14 | 0.8° | 0.0° |
| H4 | C24 | C23 | H19 | 3.5° | 0.1° |
| H4 | C24 | C25 | H20 | 141.2° | 0.0° |
| H4 | C24 | C25 | H21 | 0.2° | 145.0° |
| H5 | C24 | C23 | H19 | 144.6° | 145.1° |
| H5 | C24 | C25 | H20 | 0.1° | 145.1° |
| H5 | C24 | C25 | H21 | 141.2° | 0.1° |
| H6 | C1 | H7 | H8 | 120.0° | 119.9° |
| H9 | C3 | H10 | H11 | 120.0° | 120.1° |
| H15 | C18 | C19 | H17 | 35.7° | 97.5° |
| H15 | C18 | C19 | H18 | 87.9° | 26.4° |
| H16 | C18 | C19 | H17 | 157.3° | 24.4° |
| H16 | C18 | C19 | H18 | 33.8° | 148.3° |
| H19 | C23 | C25 | H20 | 144.5° | 0.1° |
| H19 | C23 | C25 | H21 | 3.1° | 145.0° |
