11N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C5 | doub | 1.38Å | 1.42Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.46Å | Aromatic |
| C5 | C15 | sing | 1.51Å | 1.53Å | |
| C6 | C1 | doub | 1.38Å | 1.43Å | Aromatic |
| C7 | C8 | sing | 1.54Å | 1.51Å | |
| C7 | C10 | sing | 1.52Å | 1.56Å | |
| C7 | C3 | sing | 1.51Å | 1.52Å | |
| C7 | C14 | sing | 1.52Å | 1.55Å | |
| C8 | O15 | sing | 1.44Å | 1.44Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C13 | N22 | sing | 1.47Å | 1.46Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C15 | N33 | sing | 1.47Å | 1.45Å | |
| C17 | N22 | sing | 1.35Å | 1.46Å | |
| C17 | O37 | doub | 1.22Å | 1.19Å | |
| C17 | C19 | sing | 1.46Å | 1.53Å | |
| C20 | C19 | doub | 1.35Å | 1.32Å | |
| C20 | C41 | sing | 1.47Å | 1.54Å | |
| C22 | C41 | doub | 1.40Å | 1.43Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.42Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.42Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.42Å | Aromatic |
| C26 | C41 | sing | 1.40Å | 1.41Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.43Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.48Å | Aromatic |
| C2 | O15 | sing | 1.36Å | 1.47Å | |
| C11 | N22 | sing | 1.47Å | 1.46Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| N33 | HN33 | sing | 1.01Å | 1.00Å | |
| N33 | HN3A | sing | 1.01Å | 1.00Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C4 | C3 | 119.4° | 120.1° |
| C4 | C5 | C6 | 120.5° | 119.8° |
| C4 | C5 | C15 | 118.3° | 120.1° |
| C5 | C4 | H4 | 120.3° | 120.0° |
| C4 | C3 | C7 | 133.4° | 132.5° |
| C4 | C3 | C2 | 120.6° | 120.6° |
| C3 | C4 | H4 | 120.3° | 120.0° |
| C6 | C5 | C15 | 121.1° | 120.1° |
| C5 | C6 | C1 | 120.0° | 120.3° |
| C5 | C6 | H6 | 120.0° | 119.9° |
| C5 | C15 | N33 | 107.4° | 109.5° |
| C5 | C15 | H15 | 110.1° | 109.5° |
| C5 | C15 | H15A | 110.6° | 109.5° |
| C6 | C1 | C2 | 119.2° | 120.3° |
| C1 | C6 | H6 | 120.0° | 119.8° |
| C6 | C1 | H1 | 120.4° | 119.9° |
| C8 | C7 | C10 | 115.0° | 110.4° |
| C8 | C7 | C3 | 104.6° | 102.6° |
| C8 | C7 | C14 | 116.2° | 110.4° |
| C7 | C8 | O15 | 105.1° | 102.7° |
| C7 | C8 | H8 | 110.9° | 110.8° |
| C7 | C8 | H8A | 111.9° | 110.8° |
| C10 | C7 | C3 | 103.1° | 110.9° |
| C10 | C7 | C14 | 110.1° | 111.3° |
| C7 | C10 | C11 | 110.8° | 109.5° |
| C7 | C10 | H10 | 109.0° | 109.5° |
| C7 | C10 | H10A | 108.7° | 109.5° |
| C3 | C7 | C14 | 106.4° | 110.9° |
| C7 | C3 | C2 | 106.0° | 106.8° |
| C7 | C14 | C13 | 112.4° | 109.5° |
| C7 | C14 | H14 | 108.5° | 109.5° |
| C7 | C14 | H14A | 107.8° | 109.4° |
| C8 | O15 | C2 | 107.7° | 109.2° |
| O15 | C8 | H8 | 111.0° | 110.8° |
| O15 | C8 | H8A | 111.9° | 110.8° |
| C10 | C11 | N22 | 112.1° | 108.7° |
| C11 | C10 | H10 | 109.0° | 109.5° |
| C11 | C10 | H10A | 108.7° | 109.5° |
| C10 | C11 | H11 | 108.6° | 109.6° |
| C10 | C11 | H11A | 108.0° | 109.6° |
| N22 | C13 | C14 | 109.6° | 108.7° |
| C13 | N22 | C17 | 120.5° | 120.6° |
| C13 | N22 | C11 | 118.6° | 118.8° |
| N22 | C13 | H13 | 109.4° | 109.6° |
| N22 | C13 | H13A | 109.4° | 109.6° |
| C14 | C13 | H13 | 109.5° | 109.5° |
| C14 | C13 | H13A | 109.4° | 109.6° |
| C13 | C14 | H14 | 108.5° | 109.5° |
| C13 | C14 | H14A | 107.8° | 109.5° |
| N33 | C15 | H15 | 110.2° | 109.5° |
| N33 | C15 | H15A | 110.6° | 109.5° |
| C15 | N33 | HN33 | 109.5° | 111.0° |
| C15 | N33 | HN3A | 109.4° | 111.0° |
| N22 | C17 | O37 | 118.6° | 120.0° |
| N22 | C17 | C19 | 123.3° | 120.0° |
| C17 | N22 | C11 | 118.5° | 120.6° |
| O37 | C17 | C19 | 117.7° | 120.0° |
| C17 | C19 | C20 | 115.0° | 120.0° |
| C17 | C19 | H19 | 122.5° | 120.0° |
| C19 | C20 | C41 | 123.2° | 120.0° |
| C19 | C20 | H20 | 118.4° | 120.0° |
| C20 | C19 | H19 | 122.5° | 120.0° |
| C20 | C41 | C22 | 120.6° | 120.2° |
| C20 | C41 | C26 | 119.3° | 120.1° |
| C41 | C20 | H20 | 118.4° | 119.9° |
| C41 | C22 | C23 | 119.6° | 119.9° |
| C22 | C41 | C26 | 120.0° | 119.7° |
| C41 | C22 | H22 | 120.2° | 120.1° |
| C22 | C23 | C24 | 120.4° | 120.1° |
| C23 | C22 | H22 | 120.2° | 120.0° |
| C22 | C23 | H23 | 119.8° | 120.0° |
| C23 | C24 | C25 | 120.2° | 120.4° |
| C23 | C24 | H24 | 119.9° | 119.8° |
| C24 | C23 | H23 | 119.8° | 119.9° |
| C24 | C25 | C26 | 119.4° | 120.2° |
| C25 | C24 | H24 | 119.9° | 119.8° |
| C24 | C25 | H25 | 120.3° | 119.9° |
| C41 | C26 | C25 | 120.4° | 119.8° |
| C41 | C26 | H26 | 119.8° | 120.1° |
| C25 | C26 | H26 | 119.8° | 120.1° |
| C26 | C25 | H25 | 120.3° | 119.9° |
| C1 | C2 | C3 | 120.1° | 118.9° |
| C1 | C2 | O15 | 132.5° | 129.9° |
| C2 | C1 | H1 | 120.4° | 119.8° |
| C3 | C2 | O15 | 107.3° | 111.2° |
| N22 | C11 | H11 | 108.6° | 109.5° |
| N22 | C11 | H11A | 108.0° | 109.6° |
| H8 | C8 | H8A | 106.2° | 110.8° |
| H10 | C10 | H10A | 110.6° | 109.4° |
| H13 | C13 | H13A | 109.6° | 109.7° |
| H15 | C15 | H15A | 107.9° | 109.4° |
| H11 | C11 | H11A | 111.6° | 109.7° |
| H14 | C14 | H14A | 111.8° | 109.5° |
| HN33 | N33 | HN3A | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C4 | C3 | H4 | 180.0° | 179.8° |
| C4 | C5 | C6 | C15 | 178.5° | 180.0° |
| C4 | C5 | C6 | C1 | 1.4° | 0.3° |
| C5 | C4 | C3 | C7 | 179.4° | 179.2° |
| C4 | C5 | C15 | N33 | 93.7° | 90.0° |
| C5 | C4 | C3 | C2 | 0.2° | 0.5° |
| C4 | C5 | C6 | H6 | 178.6° | 179.7° |
| C4 | C5 | C15 | H15 | 26.3° | 150.0° |
| C4 | C5 | C15 | H15A | 145.5° | 30.0° |
| C3 | C4 | C5 | C6 | 0.5° | 0.1° |
| C3 | C4 | C5 | C15 | 179.1° | 179.9° |
| C4 | C3 | C7 | C8 | 163.4° | 164.9° |
| C4 | C3 | C7 | C10 | 42.8° | 77.2° |
| C4 | C3 | C7 | C2 | 179.3° | 179.7° |
| C4 | C3 | C7 | C14 | 73.0° | 47.0° |
| C4 | C3 | C2 | C1 | 0.1° | 0.8° |
| C4 | C3 | C2 | O15 | 178.9° | 178.7° |
| C5 | C6 | C1 | H6 | 180.0° | 180.0° |
| C6 | C5 | C15 | N33 | 84.9° | 90.0° |
| C5 | C6 | C1 | C2 | 1.5° | 0.0° |
| C6 | C5 | C4 | H4 | 179.5° | 179.7° |
| C6 | C5 | C15 | H15 | 155.1° | 30.0° |
| C6 | C5 | C15 | H15A | 35.9° | 150.0° |
| C5 | C6 | C1 | H1 | 178.5° | 180.0° |
| C15 | C5 | C6 | C1 | 179.9° | 179.7° |
| C5 | C15 | N33 | H15 | 120.0° | 120.0° |
| C5 | C15 | N33 | H15A | 120.8° | 120.0° |
| C15 | C5 | C4 | H4 | 0.9° | 0.3° |
| C15 | C5 | C6 | H6 | 0.0° | 0.3° |
| C5 | C15 | H15 | H15A | 120.9° | 120.0° |
| C5 | C15 | N33 | HN33 | 11.7° | 56.0° |
| C5 | C15 | N33 | HN3A | 108.3° | 180.0° |
| C6 | C1 | C2 | H1 | 180.0° | 180.0° |
| C6 | C1 | C2 | C3 | 0.7° | 0.5° |
| C6 | C1 | C2 | O15 | 179.4° | 178.9° |
| C8 | C7 | C10 | C3 | 113.2° | 113.0° |
| C8 | C7 | C10 | C14 | 133.6° | 123.0° |
| C8 | C7 | C3 | C14 | 123.5° | 117.9° |
| C7 | C8 | O15 | H8 | 120.0° | 118.4° |
| C7 | C8 | O15 | H8A | 121.6° | 118.3° |
| C8 | C7 | C10 | C11 | 80.8° | 63.5° |
| C8 | C7 | C14 | C13 | 77.6° | 63.6° |
| C8 | C7 | C3 | C2 | 17.3° | 14.8° |
| C7 | C8 | O15 | C2 | 30.2° | 27.3° |
| C7 | C8 | H8 | H8A | 121.8° | 123.4° |
| C8 | C7 | C10 | H10 | 159.1° | 176.5° |
| C8 | C7 | C10 | H10A | 38.6° | 56.5° |
| C8 | C7 | C14 | H14 | 42.4° | 56.4° |
| C8 | C7 | C14 | H14A | 163.7° | 176.5° |
| C10 | C7 | C3 | C14 | 115.8° | 124.2° |
| C10 | C7 | C8 | O15 | 141.5° | 93.5° |
| C7 | C10 | C11 | H10 | 120.0° | 120.0° |
| C7 | C10 | C11 | H10A | 119.4° | 120.0° |
| C10 | C7 | C14 | C13 | 55.4° | 59.5° |
| C10 | C7 | C3 | C2 | 137.9° | 103.1° |
| C7 | C10 | C11 | N22 | 49.8° | 53.6° |
| C10 | C7 | C8 | H8 | 98.5° | 148.2° |
| C10 | C7 | C8 | H8A | 19.8° | 24.7° |
| C7 | C10 | H10 | H10A | 119.4° | 120.0° |
| C7 | C10 | C11 | H11 | 169.8° | 173.3° |
| C7 | C10 | C11 | H11A | 69.1° | 66.2° |
| C10 | C7 | C14 | H14 | 175.4° | 179.5° |
| C10 | C7 | C14 | H14A | 63.3° | 60.5° |
| C3 | C7 | C8 | O15 | 29.1° | 24.7° |
| C3 | C7 | C10 | C11 | 165.9° | 176.5° |
| C3 | C7 | C14 | C13 | 166.4° | 176.5° |
| C7 | C3 | C2 | C1 | 179.5° | 179.0° |
| C7 | C3 | C2 | O15 | 0.5° | 1.5° |
| C7 | C3 | C4 | H4 | 0.6° | 0.6° |
| C3 | C7 | C8 | H8 | 149.1° | 93.6° |
| C3 | C7 | C8 | H8A | 92.5° | 143.0° |
| C3 | C7 | C10 | H10 | 45.9° | 63.5° |
| C3 | C7 | C10 | H10A | 74.7° | 56.5° |
| C3 | C7 | C14 | H14 | 73.6° | 56.5° |
| C3 | C7 | C14 | H14A | 47.7° | 63.5° |
| C14 | C7 | C8 | O15 | 87.8° | 142.9° |
| C14 | C7 | C10 | C11 | 52.7° | 59.5° |
| C7 | C14 | C13 | N22 | 52.8° | 53.4° |
| C7 | C14 | C13 | H14 | 120.0° | 120.0° |
| C7 | C14 | C13 | H14A | 118.7° | 119.9° |
| C14 | C7 | C3 | C2 | 106.2° | 132.7° |
| C14 | C7 | C8 | H8 | 32.1° | 24.6° |
| C14 | C7 | C8 | H8A | 150.5° | 98.8° |
| C14 | C7 | C10 | H10 | 67.3° | 60.5° |
| C14 | C7 | C10 | H10A | 172.1° | 179.5° |
| C7 | C14 | C13 | H13 | 172.8° | 173.2° |
| C7 | C14 | C13 | H13A | 67.2° | 66.4° |
| C7 | C14 | H14 | H14A | 118.8° | 120.0° |
| C8 | O15 | C2 | C1 | 161.8° | 161.6° |
| C8 | O15 | C2 | C3 | 19.3° | 19.0° |
| O15 | C8 | H8 | H8A | 121.8° | 123.3° |
| C10 | C11 | N22 | C13 | 51.5° | 54.3° |
| C10 | C11 | N22 | C17 | 110.9° | 125.7° |
| C10 | C11 | N22 | H11 | 120.0° | 119.8° |
| C10 | C11 | N22 | H11A | 118.9° | 119.8° |
| C11 | C10 | H10 | H10A | 119.4° | 120.0° |
| C10 | C11 | H11 | H11A | 118.9° | 120.4° |
| N22 | C13 | C14 | H13 | 120.0° | 119.8° |
| N22 | C13 | C14 | H13A | 120.0° | 119.8° |
| C13 | N22 | C17 | C11 | 162.0° | 180.0° |
| C13 | N22 | C17 | O37 | 174.6° | 5.1° |
| C13 | N22 | C17 | C19 | 12.8° | 174.9° |
| N22 | C13 | H13 | H13A | 120.0° | 120.4° |
| C13 | N22 | C11 | H11 | 171.5° | 174.1° |
| C13 | N22 | C11 | H11A | 67.4° | 65.5° |
| N22 | C13 | C14 | H14 | 172.8° | 173.4° |
| N22 | C13 | C14 | H14A | 66.0° | 66.5° |
| C14 | C13 | N22 | C17 | 110.0° | 125.8° |
| C14 | C13 | N22 | C11 | 52.0° | 54.3° |
| C14 | C13 | H13 | H13A | 120.0° | 120.4° |
| C13 | C14 | H14 | H14A | 118.8° | 120.0° |
| N33 | C15 | H15 | H15A | 120.8° | 120.0° |
| C15 | N33 | HN33 | HN3A | 120.0° | 123.9° |
| N22 | C17 | O37 | C19 | 173.0° | 180.0° |
| N22 | C17 | C19 | C20 | 165.3° | 174.8° |
| C17 | N22 | C13 | H13 | 10.0° | 6.0° |
| C17 | N22 | C13 | H13A | 130.1° | 114.5° |
| C17 | N22 | C11 | H11 | 9.2° | 5.9° |
| C17 | N22 | C11 | H11A | 130.3° | 114.5° |
| N22 | C17 | C19 | H19 | 14.6° | 5.2° |
| O37 | C17 | C19 | C20 | 7.3° | 5.1° |
| O37 | C17 | N22 | C11 | 12.6° | 174.9° |
| O37 | C17 | C19 | H19 | 172.7° | 174.9° |
| C17 | C19 | C20 | H19 | 180.0° | 180.0° |
| C17 | C19 | C20 | C41 | 160.7° | 180.0° |
| C19 | C17 | N22 | C11 | 174.8° | 5.1° |
| C17 | C19 | C20 | H20 | 19.3° | 0.0° |
| C19 | C20 | C41 | H20 | 180.0° | 180.0° |
| C19 | C20 | C41 | C22 | 16.2° | 180.0° |
| C19 | C20 | C41 | C26 | 165.3° | 0.0° |
| C20 | C41 | C22 | C26 | 178.5° | 179.9° |
| C20 | C41 | C22 | C23 | 179.0° | 180.0° |
| C20 | C41 | C26 | C25 | 179.1° | 180.0° |
| C20 | C41 | C22 | H22 | 1.1° | 0.3° |
| C20 | C41 | C26 | H26 | 0.9° | 0.0° |
| C41 | C20 | C19 | H19 | 19.3° | 0.0° |
| C41 | C22 | C23 | H22 | 180.0° | 179.7° |
| C41 | C22 | C23 | C24 | 0.1° | 0.0° |
| C22 | C41 | C26 | C25 | 0.6° | 0.0° |
| C22 | C41 | C20 | H20 | 163.8° | 0.0° |
| C22 | C41 | C26 | H26 | 179.4° | 179.9° |
| C41 | C22 | C23 | H23 | 179.9° | 180.0° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.6° | 0.0° |
| C23 | C22 | C41 | C26 | 0.5° | 0.1° |
| C22 | C23 | C24 | H24 | 179.4° | 179.9° |
| C23 | C24 | C25 | H24 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 0.5° | 0.1° |
| C24 | C23 | C22 | H22 | 179.9° | 179.7° |
| C23 | C24 | C25 | H25 | 179.5° | 180.0° |
| C24 | C25 | C26 | C41 | 0.1° | 0.0° |
| C24 | C25 | C26 | H25 | 180.0° | 179.9° |
| C24 | C25 | C26 | H26 | 179.9° | 180.0° |
| C25 | C24 | C23 | H23 | 179.4° | 179.9° |
| C41 | C26 | C25 | H26 | 180.0° | 179.9° |
| C26 | C41 | C20 | H20 | 14.6° | 180.0° |
| C26 | C41 | C22 | H22 | 179.5° | 179.7° |
| C41 | C26 | C25 | H25 | 179.9° | 180.0° |
| C26 | C25 | C24 | H24 | 179.5° | 180.0° |
| C1 | C2 | C3 | O15 | 179.0° | 179.5° |
| C2 | C1 | C6 | H6 | 178.5° | 180.0° |
| C2 | C3 | C4 | H4 | 179.7° | 179.8° |
| C3 | C2 | C1 | H1 | 179.3° | 179.5° |
| C2 | O15 | C8 | H8 | 150.2° | 91.1° |
| C2 | O15 | C8 | H8A | 91.4° | 145.5° |
| O15 | C2 | C1 | H1 | 0.5° | 1.1° |
| N22 | C11 | C10 | H10 | 70.2° | 66.5° |
| N22 | C11 | C10 | H10A | 169.2° | 173.6° |
| C11 | N22 | C13 | H13 | 172.0° | 174.0° |
| C11 | N22 | C13 | H13A | 68.0° | 65.5° |
| N22 | C11 | H11 | H11A | 118.9° | 120.4° |
| H6 | C6 | C1 | H1 | 1.5° | 0.0° |
| H10 | C10 | C11 | H11 | 49.8° | 53.3° |
| H10 | C10 | C11 | H11A | 170.9° | 173.8° |
| H10A | C10 | C11 | H11 | 70.8° | 66.7° |
| H10A | C10 | C11 | H11A | 50.3° | 53.8° |
| H13 | C13 | C14 | H14 | 67.3° | 66.8° |
| H13 | C13 | C14 | H14A | 54.0° | 53.2° |
| H13A | C13 | C14 | H14 | 52.8° | 53.6° |
| H13A | C13 | C14 | H14A | 174.1° | 173.7° |
| H15 | C15 | N33 | HN33 | 131.7° | 64.0° |
| H15 | C15 | N33 | HN3A | 11.6° | 59.9° |
| H15A | C15 | N33 | HN33 | 109.1° | 176.0° |
| H15A | C15 | N33 | HN3A | 130.8° | 60.0° |
| H20 | C20 | C19 | H19 | 160.7° | 180.0° |
| H22 | C22 | C23 | H23 | 0.1° | 0.3° |
| H24 | C24 | C23 | H23 | 0.6° | 0.0° |
| H24 | C24 | C25 | H25 | 0.5° | 0.1° |
| H26 | C26 | C25 | H25 | 0.1° | 0.1° |
