41N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | C9 | sing | 1.44Å | 1.44Å | |
| O10 | C7 | sing | 1.36Å | 1.36Å | |
| C9 | O8 | sing | 1.44Å | 1.44Å | |
| C7 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.40Å | 1.36Å | Aromatic |
| O8 | C6 | sing | 1.37Å | 1.37Å | |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | C11 | sing | 1.48Å | 1.49Å | |
| C11 | O12 | doub | 1.22Å | 1.22Å | |
| C11 | N13 | sing | 1.35Å | 1.31Å | |
| C18 | N13 | sing | 1.47Å | 1.46Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| N13 | C14 | sing | 1.47Å | 1.46Å | |
| C17 | N16 | sing | 1.47Å | 1.46Å | |
| C14 | C15 | sing | 1.53Å | 1.51Å | |
| N16 | C15 | sing | 1.47Å | 1.45Å | |
| N16 | C20 | sing | 1.39Å | 1.40Å | |
| C25 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.37Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | C23 | doub | 1.40Å | 1.40Å | Aromatic |
| C21 | C22 | doub | 1.37Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.40Å | 1.39Å | Aromatic |
| C23 | C26 | sing | 1.47Å | 1.49Å | |
| C27 | C26 | sing | 1.51Å | 1.50Å | |
| C26 | O28 | doub | 1.21Å | 1.22Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.08Å | 1.08Å | |
| C22 | H15 | sing | 1.08Å | 1.08Å | |
| C24 | H16 | sing | 1.08Å | 1.08Å | |
| C25 | H17 | sing | 1.08Å | 1.08Å | |
| C27 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H20 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | O10 | C7 | 107.6° | 105.5° |
| O10 | C9 | O8 | 103.7° | 103.6° |
| O10 | C9 | H8 | 110.9° | 110.2° |
| O10 | C9 | H9 | 110.9° | 111.2° |
| O10 | C7 | C2 | 127.8° | 131.3° |
| O10 | C7 | C6 | 110.2° | 108.6° |
| C9 | O8 | C6 | 108.2° | 105.3° |
| O8 | C9 | H8 | 110.9° | 110.5° |
| O8 | C9 | H9 | 110.9° | 110.6° |
| C2 | C7 | C6 | 122.1° | 120.0° |
| C7 | C2 | C3 | 116.8° | 120.2° |
| C7 | C2 | H6 | 121.6° | 119.9° |
| C7 | C6 | O8 | 108.7° | 108.6° |
| C7 | C6 | C5 | 122.1° | 120.0° |
| O8 | C6 | C5 | 129.1° | 131.4° |
| C2 | C3 | C4 | 121.4° | 120.0° |
| C2 | C3 | H1 | 119.3° | 120.0° |
| C3 | C2 | H6 | 121.6° | 119.9° |
| C6 | C5 | C4 | 116.6° | 119.9° |
| C6 | C5 | H7 | 121.7° | 120.1° |
| C3 | C4 | C5 | 121.0° | 119.8° |
| C3 | C4 | C11 | 117.4° | 120.1° |
| C4 | C3 | H1 | 119.3° | 120.0° |
| C5 | C4 | C11 | 121.5° | 120.0° |
| C4 | C5 | H7 | 121.7° | 120.1° |
| C4 | C11 | O12 | 117.9° | 120.0° |
| C4 | C11 | N13 | 122.5° | 120.0° |
| O12 | C11 | N13 | 119.5° | 120.0° |
| C11 | N13 | C18 | 123.6° | 120.9° |
| C11 | N13 | C14 | 118.3° | 120.8° |
| N13 | C18 | C17 | 105.2° | 108.5° |
| C18 | N13 | C14 | 118.2° | 118.3° |
| N13 | C18 | H12 | 110.5° | 109.6° |
| N13 | C18 | H13 | 110.5° | 109.6° |
| C18 | C17 | N16 | 105.3° | 109.3° |
| C18 | C17 | H10 | 110.5° | 109.5° |
| C18 | C17 | H11 | 110.5° | 109.5° |
| C17 | C18 | H12 | 110.5° | 109.6° |
| C17 | C18 | H13 | 110.5° | 109.7° |
| N13 | C14 | C15 | 108.5° | 108.5° |
| N13 | C14 | H2 | 109.7° | 109.6° |
| N13 | C14 | H3 | 109.7° | 109.7° |
| C17 | N16 | C15 | 120.6° | 111.2° |
| C17 | N16 | C20 | 119.5° | 111.0° |
| N16 | C17 | H10 | 110.5° | 109.5° |
| N16 | C17 | H11 | 110.5° | 109.5° |
| C14 | C15 | N16 | 106.8° | 109.4° |
| C15 | C14 | H2 | 109.7° | 109.7° |
| C15 | C14 | H3 | 109.7° | 109.7° |
| C14 | C15 | H4 | 110.1° | 109.5° |
| C14 | C15 | H5 | 110.2° | 109.5° |
| C15 | N16 | C20 | 119.7° | 111.0° |
| N16 | C15 | H4 | 110.1° | 109.5° |
| N16 | C15 | H5 | 110.1° | 109.5° |
| N16 | C20 | C25 | 120.8° | 119.9° |
| N16 | C20 | C21 | 119.0° | 119.9° |
| C20 | C25 | C24 | 119.9° | 120.1° |
| C25 | C20 | C21 | 120.2° | 120.2° |
| C20 | C25 | H17 | 120.0° | 120.0° |
| C25 | C24 | C23 | 119.8° | 119.9° |
| C25 | C24 | H16 | 120.1° | 120.1° |
| C24 | C25 | H17 | 120.1° | 119.9° |
| C20 | C21 | C22 | 119.8° | 120.2° |
| C20 | C21 | H14 | 120.1° | 119.9° |
| C24 | C23 | C22 | 119.9° | 119.8° |
| C24 | C23 | C26 | 120.9° | 120.1° |
| C23 | C24 | H16 | 120.1° | 120.0° |
| C21 | C22 | C23 | 120.4° | 119.8° |
| C22 | C21 | H14 | 120.1° | 119.9° |
| C21 | C22 | H15 | 119.8° | 120.1° |
| C22 | C23 | C26 | 119.1° | 120.1° |
| C23 | C22 | H15 | 119.8° | 120.1° |
| C23 | C26 | C27 | 119.8° | 120.0° |
| C23 | C26 | O28 | 119.6° | 120.0° |
| C27 | C26 | O28 | 120.6° | 120.0° |
| C26 | C27 | H18 | 109.5° | 109.5° |
| C26 | C27 | H19 | 109.5° | 109.5° |
| C26 | C27 | H20 | 109.4° | 109.4° |
| H2 | C14 | H3 | 109.5° | 109.6° |
| H4 | C15 | H5 | 109.5° | 109.5° |
| H8 | C9 | H9 | 109.5° | 110.5° |
| H10 | C17 | H11 | 109.5° | 109.5° |
| H12 | C18 | H13 | 109.4° | 109.8° |
| H18 | C27 | H19 | 109.5° | 109.5° |
| H18 | C27 | H20 | 109.5° | 109.4° |
| H19 | C27 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | C9 | O8 | H8 | 119.1° | 118.0° |
| O10 | C9 | O8 | H9 | 119.1° | 119.3° |
| C9 | O10 | C7 | C2 | 171.2° | 162.7° |
| C9 | O10 | C7 | C6 | 8.1° | 17.8° |
| O10 | C9 | O8 | C6 | 12.4° | 27.7° |
| O10 | C9 | H8 | H9 | 122.7° | 123.4° |
| C7 | O10 | C9 | O8 | 12.4° | 27.8° |
| O10 | C7 | C2 | C6 | 179.2° | 179.5° |
| O10 | C7 | C6 | O8 | 0.1° | 0.1° |
| O10 | C7 | C2 | C3 | 179.5° | 180.0° |
| O10 | C7 | C6 | C5 | 178.8° | 179.7° |
| O10 | C7 | C2 | H6 | 0.5° | 0.1° |
| C7 | O10 | C9 | H8 | 106.7° | 146.1° |
| C7 | O10 | C9 | H9 | 131.5° | 91.0° |
| C9 | O8 | C6 | C7 | 8.1° | 17.6° |
| C9 | O8 | C6 | C5 | 170.6° | 161.9° |
| O8 | C9 | H8 | H9 | 122.6° | 122.8° |
| C2 | C7 | C6 | O8 | 179.3° | 179.6° |
| C7 | C2 | C3 | H6 | 180.0° | 179.9° |
| C2 | C7 | C6 | C5 | 0.5° | 0.7° |
| C7 | C2 | C3 | C4 | 0.5° | 0.0° |
| C7 | C2 | C3 | H1 | 179.5° | 179.7° |
| C7 | C6 | O8 | C5 | 178.6° | 179.6° |
| C6 | C7 | C2 | C3 | 0.3° | 0.5° |
| C7 | C6 | C5 | C4 | 2.0° | 0.5° |
| C6 | C7 | C2 | H6 | 179.8° | 179.6° |
| C7 | C6 | C5 | H7 | 178.0° | 179.5° |
| O8 | C6 | C5 | C4 | 179.5° | 180.0° |
| O8 | C6 | C5 | H7 | 0.5° | 0.0° |
| C6 | O8 | C9 | H8 | 106.7° | 145.7° |
| C6 | O8 | C9 | H9 | 131.5° | 91.5° |
| C2 | C3 | C4 | H1 | 180.0° | 179.7° |
| C2 | C3 | C4 | C5 | 2.1° | 0.3° |
| C2 | C3 | C4 | C11 | 178.4° | 179.7° |
| C6 | C5 | C4 | C3 | 2.7° | 0.1° |
| C6 | C5 | C4 | H7 | 180.0° | 180.0° |
| C6 | C5 | C4 | C11 | 179.0° | 180.0° |
| C3 | C4 | C5 | C11 | 176.2° | 180.0° |
| C3 | C4 | C11 | O12 | 73.6° | 45.0° |
| C3 | C4 | C11 | N13 | 104.4° | 135.0° |
| C4 | C3 | C2 | H6 | 179.5° | 179.9° |
| C3 | C4 | C5 | H7 | 177.3° | 180.0° |
| C5 | C4 | C11 | O12 | 102.7° | 135.0° |
| C5 | C4 | C11 | N13 | 79.2° | 45.0° |
| C5 | C4 | C3 | H1 | 178.0° | 180.0° |
| C4 | C11 | O12 | N13 | 178.1° | 180.0° |
| C4 | C11 | N13 | C18 | 5.4° | 4.2° |
| C4 | C11 | N13 | C14 | 175.0° | 175.8° |
| C11 | C4 | C3 | H1 | 1.6° | 0.1° |
| C11 | C4 | C5 | H7 | 1.0° | 0.0° |
| O12 | C11 | N13 | C18 | 176.5° | 175.8° |
| O12 | C11 | N13 | C14 | 3.0° | 4.2° |
| C11 | N13 | C18 | C14 | 179.6° | 180.0° |
| C11 | N13 | C18 | C17 | 133.0° | 128.8° |
| C11 | N13 | C14 | C15 | 165.1° | 128.8° |
| C11 | N13 | C14 | H2 | 75.1° | 9.1° |
| C11 | N13 | C14 | H3 | 45.2° | 111.4° |
| C11 | N13 | C18 | H12 | 107.7° | 9.1° |
| C11 | N13 | C18 | H13 | 13.6° | 111.5° |
| N13 | C18 | C17 | H12 | 119.3° | 119.7° |
| N13 | C18 | C17 | H13 | 119.4° | 119.7° |
| N13 | C18 | C17 | N16 | 64.4° | 53.9° |
| C18 | N13 | C14 | C15 | 14.5° | 51.2° |
| C18 | N13 | C14 | H2 | 105.3° | 170.9° |
| C18 | N13 | C14 | H3 | 134.4° | 68.6° |
| N13 | C18 | C17 | H10 | 176.2° | 173.8° |
| N13 | C18 | C17 | H11 | 54.9° | 66.1° |
| N13 | C18 | H12 | H13 | 122.0° | 120.5° |
| C17 | C18 | N13 | C14 | 47.4° | 51.2° |
| C18 | C17 | N16 | H10 | 119.4° | 120.0° |
| C18 | C17 | N16 | H11 | 119.3° | 120.0° |
| C18 | C17 | N16 | C15 | 21.8° | 63.1° |
| C18 | C17 | N16 | C20 | 154.7° | 172.8° |
| C18 | C17 | H10 | H11 | 121.9° | 120.1° |
| C17 | C18 | H12 | H13 | 122.0° | 120.5° |
| N13 | C14 | C15 | H2 | 119.8° | 119.7° |
| N13 | C14 | C15 | H3 | 119.9° | 119.9° |
| N13 | C14 | C15 | N16 | 57.5° | 53.8° |
| N13 | C14 | H2 | H3 | 120.5° | 120.5° |
| N13 | C14 | C15 | H4 | 177.1° | 173.8° |
| N13 | C14 | C15 | H5 | 62.0° | 66.2° |
| C14 | N13 | C18 | H12 | 71.9° | 170.9° |
| C14 | N13 | C18 | H13 | 166.8° | 68.5° |
| C17 | N16 | C15 | C14 | 39.6° | 63.1° |
| C17 | N16 | C15 | C20 | 176.5° | 124.1° |
| C17 | N16 | C20 | C25 | 14.2° | 124.6° |
| C17 | N16 | C20 | C21 | 163.8° | 55.7° |
| C17 | N16 | C15 | H4 | 159.1° | 176.9° |
| C17 | N16 | C15 | H5 | 80.0° | 56.8° |
| N16 | C17 | H10 | H11 | 121.9° | 120.0° |
| N16 | C17 | C18 | H12 | 54.9° | 173.6° |
| N16 | C17 | C18 | H13 | 176.2° | 65.9° |
| C14 | C15 | N16 | H4 | 119.6° | 120.0° |
| C14 | C15 | N16 | H5 | 119.6° | 120.0° |
| C14 | C15 | N16 | C20 | 144.0° | 172.8° |
| C15 | C14 | H2 | H3 | 120.4° | 120.4° |
| C14 | C15 | H4 | H5 | 121.3° | 120.0° |
| C15 | N16 | C20 | C25 | 169.3° | 0.4° |
| C15 | N16 | C20 | C21 | 12.8° | 180.0° |
| N16 | C15 | C14 | H2 | 62.3° | 173.5° |
| N16 | C15 | C14 | H3 | 177.4° | 66.0° |
| N16 | C15 | H4 | H5 | 121.2° | 120.1° |
| C15 | N16 | C17 | H10 | 141.2° | 176.9° |
| C15 | N16 | C17 | H11 | 97.5° | 56.9° |
| N16 | C20 | C25 | C21 | 178.0° | 179.7° |
| N16 | C20 | C25 | C24 | 178.1° | 179.8° |
| N16 | C20 | C21 | C22 | 178.1° | 179.9° |
| C20 | N16 | C15 | H4 | 24.4° | 52.8° |
| C20 | N16 | C15 | H5 | 96.5° | 67.3° |
| C20 | N16 | C17 | H10 | 35.3° | 52.8° |
| C20 | N16 | C17 | H11 | 86.0° | 67.2° |
| N16 | C20 | C21 | H14 | 1.9° | 0.1° |
| N16 | C20 | C25 | H17 | 1.9° | 0.1° |
| C20 | C25 | C24 | H17 | 180.0° | 179.7° |
| C20 | C25 | C24 | C23 | 0.3° | 0.5° |
| C25 | C20 | C21 | C22 | 0.1° | 0.3° |
| C25 | C20 | C21 | H14 | 179.9° | 179.7° |
| C20 | C25 | C24 | H16 | 179.7° | 179.6° |
| C24 | C25 | C20 | C21 | 0.2° | 0.6° |
| C25 | C24 | C23 | H16 | 180.0° | 179.9° |
| C25 | C24 | C23 | C22 | 0.9° | 0.2° |
| C25 | C24 | C23 | C26 | 180.0° | 179.7° |
| C20 | C21 | C22 | H14 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.5° | 0.0° |
| C20 | C21 | C22 | H15 | 179.5° | 180.0° |
| C21 | C20 | C25 | H17 | 179.8° | 179.7° |
| C24 | C23 | C22 | C21 | 1.0° | 0.0° |
| C24 | C23 | C22 | C26 | 179.1° | 180.0° |
| C24 | C23 | C26 | C27 | 2.9° | 5.6° |
| C24 | C23 | C26 | O28 | 178.1° | 174.4° |
| C24 | C23 | C22 | H15 | 179.0° | 180.0° |
| C23 | C24 | C25 | H17 | 179.7° | 179.8° |
| C21 | C22 | C23 | H15 | 180.0° | 180.0° |
| C21 | C22 | C23 | C26 | 179.9° | 180.0° |
| C22 | C23 | C26 | C27 | 176.2° | 174.4° |
| C22 | C23 | C26 | O28 | 2.8° | 5.6° |
| C23 | C22 | C21 | H14 | 179.5° | 180.0° |
| C22 | C23 | C24 | H16 | 179.1° | 179.9° |
| C23 | C26 | C27 | O28 | 179.0° | 180.0° |
| C26 | C23 | C22 | H15 | 0.1° | 0.0° |
| C26 | C23 | C24 | H16 | 0.0° | 0.1° |
| C23 | C26 | C27 | H18 | 179.0° | 5.1° |
| C23 | C26 | C27 | H19 | 59.0° | 114.9° |
| C23 | C26 | C27 | H20 | 61.0° | 125.1° |
| C26 | C27 | H18 | H19 | 120.0° | 120.0° |
| C26 | C27 | H18 | H20 | 120.0° | 119.9° |
| C26 | C27 | H19 | H20 | 120.0° | 120.0° |
| O28 | C26 | C27 | H18 | 0.0° | 174.9° |
| O28 | C26 | C27 | H19 | 120.0° | 65.1° |
| O28 | C26 | C27 | H20 | 120.0° | 55.0° |
| H1 | C3 | C2 | H6 | 0.5° | 0.2° |
| H2 | C14 | C15 | H4 | 57.3° | 66.5° |
| H2 | C14 | C15 | H5 | 178.1° | 53.5° |
| H3 | C14 | C15 | H4 | 63.1° | 53.9° |
| H3 | C14 | C15 | H5 | 57.8° | 174.0° |
| H10 | C17 | C18 | H12 | 64.4° | 66.5° |
| H10 | C17 | C18 | H13 | 56.9° | 54.1° |
| H11 | C17 | C18 | H12 | 174.3° | 53.6° |
| H11 | C17 | C18 | H13 | 64.4° | 174.2° |
| H14 | C21 | C22 | H15 | 0.5° | 0.0° |
| H16 | C24 | C25 | H17 | 0.3° | 0.1° |
| H18 | C27 | H19 | H20 | 120.0° | 120.0° |
