5C0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C18 | doub | 1.38Å | 1.37Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.40Å | 1.41Å | Aromatic |
| C19 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| C1 | C | sing | 1.53Å | 1.48Å | |
| C1 | C2 | sing | 1.53Å | 1.48Å | |
| C15 | C20 | sing | 1.40Å | 1.41Å | Aromatic |
| C15 | C14 | sing | 1.48Å | 1.50Å | |
| C20 | O | sing | 1.36Å | 1.38Å | |
| C | C2 | sing | 1.53Å | 1.48Å | |
| C2 | N | sing | 1.47Å | 1.46Å | |
| N | C3 | sing | 1.39Å | 1.35Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.50Å | 1.51Å | |
| C13 | C14 | sing | 1.41Å | 1.46Å | |
| C13 | C12 | doub | 1.35Å | 1.36Å | |
| C14 | O1 | doub | 1.22Å | 1.26Å | |
| C6 | N3 | sing | 1.48Å | 1.47Å | |
| C6 | C7 | sing | 1.54Å | 1.53Å | |
| C3 | C4 | doub | 1.40Å | 1.45Å | Aromatic |
| C3 | N2 | sing | 1.33Å | 1.35Å | Aromatic |
| C4 | C10 | sing | 1.38Å | 1.45Å | Aromatic |
| C12 | N3 | sing | 1.37Å | 1.33Å | |
| N3 | C9 | sing | 1.49Å | 1.47Å | |
| C7 | C8 | sing | 1.54Å | 1.56Å | |
| N2 | C11 | doub | 1.32Å | 1.34Å | Aromatic |
| C10 | C9 | sing | 1.51Å | 1.59Å | |
| C10 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
| C9 | C8 | sing | 1.55Å | 1.54Å | |
| C11 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| O | H12 | sing | 0.97Å | 0.95Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| N | H17 | sing | 0.97Å | 1.00Å | |
| C2 | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H19 | sing | 1.09Å | 1.10Å | |
| C1 | H20 | sing | 1.09Å | 1.10Å | |
| C | H21 | sing | 1.09Å | 1.10Å | |
| C | H22 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C17 | C16 | 120.4° | 120.3° |
| C17 | C18 | C19 | 120.1° | 120.4° |
| C17 | C18 | H14 | 120.0° | 119.8° |
| C18 | C17 | H15 | 119.8° | 119.8° |
| C17 | C16 | C15 | 121.0° | 119.9° |
| C16 | C17 | H15 | 119.8° | 119.9° |
| C17 | C16 | H16 | 119.5° | 120.0° |
| C18 | C19 | C20 | 120.2° | 120.1° |
| C18 | C19 | H13 | 119.9° | 120.0° |
| C19 | C18 | H14 | 119.9° | 119.8° |
| C16 | C15 | C20 | 118.1° | 119.6° |
| C16 | C15 | C14 | 123.1° | 120.2° |
| C15 | C16 | H16 | 119.5° | 120.0° |
| C19 | C20 | C15 | 120.1° | 119.7° |
| C19 | C20 | O | 119.0° | 120.2° |
| C20 | C19 | H13 | 119.9° | 119.9° |
| C | C1 | C2 | 59.8° | 60.0° |
| C1 | C | C2 | 59.9° | 59.9° |
| C | C1 | H19 | 120.0° | 117.5° |
| C | C1 | H20 | 120.0° | 117.5° |
| C1 | C | H21 | 120.0° | 117.5° |
| C1 | C | H22 | 120.0° | 117.5° |
| C1 | C2 | C | 60.3° | 60.1° |
| C1 | C2 | N | 118.3° | 117.5° |
| C1 | C2 | H18 | 115.9° | 117.5° |
| C2 | C1 | H19 | 120.0° | 117.5° |
| C2 | C1 | H20 | 120.0° | 117.5° |
| C20 | C15 | C14 | 118.7° | 120.2° |
| C15 | C20 | O | 120.8° | 120.1° |
| C15 | C14 | C13 | 121.4° | 120.0° |
| C15 | C14 | O1 | 117.9° | 120.0° |
| C20 | O | H12 | 109.5° | 114.0° |
| C | C2 | N | 118.6° | 117.5° |
| C | C2 | H18 | 115.9° | 117.5° |
| C2 | C | H21 | 120.0° | 117.5° |
| C2 | C | H22 | 120.0° | 117.4° |
| C2 | N | C3 | 123.6° | 120.0° |
| C2 | N | H17 | 105.9° | 120.0° |
| N | C2 | H18 | 116.2° | 115.6° |
| N | C3 | C4 | 122.3° | 120.6° |
| N | C3 | N2 | 116.9° | 120.6° |
| C3 | N | H17 | 105.8° | 120.0° |
| C6 | C5 | C4 | 112.5° | 110.7° |
| C5 | C6 | N3 | 109.2° | 108.0° |
| C5 | C6 | C7 | 111.5° | 110.3° |
| C6 | C5 | H1 | 108.7° | 109.2° |
| C6 | C5 | H2 | 108.7° | 109.2° |
| C5 | C6 | H3 | 111.1° | 110.9° |
| C5 | C4 | C3 | 123.1° | 119.9° |
| C5 | C4 | C10 | 120.7° | 121.9° |
| C4 | C5 | H1 | 108.7° | 109.2° |
| C4 | C5 | H2 | 108.7° | 109.3° |
| C14 | C13 | C12 | 119.8° | 120.0° |
| C13 | C14 | O1 | 120.7° | 120.0° |
| C14 | C13 | H11 | 120.1° | 120.0° |
| C13 | C12 | N3 | 127.5° | 120.0° |
| C13 | C12 | H10 | 116.3° | 120.0° |
| C12 | C13 | H11 | 120.1° | 120.0° |
| N3 | C6 | C7 | 101.8° | 105.0° |
| C6 | N3 | C12 | 128.5° | 128.4° |
| C6 | N3 | C9 | 107.8° | 103.3° |
| N3 | C6 | H3 | 112.0° | 111.0° |
| C6 | C7 | C8 | 105.4° | 105.0° |
| C7 | C6 | H3 | 111.0° | 111.4° |
| C6 | C7 | H4 | 110.5° | 110.3° |
| C6 | C7 | H5 | 110.5° | 110.3° |
| C4 | C3 | N2 | 120.8° | 118.8° |
| C3 | C4 | C10 | 116.1° | 118.2° |
| C3 | N2 | C11 | 116.6° | 120.8° |
| C4 | C10 | C9 | 118.7° | 119.9° |
| C4 | C10 | N1 | 121.0° | 119.8° |
| C12 | N3 | C9 | 123.7° | 128.3° |
| N3 | C12 | H10 | 116.3° | 120.0° |
| N3 | C9 | C10 | 105.6° | 106.7° |
| N3 | C9 | C8 | 101.5° | 103.7° |
| N3 | C9 | H8 | 115.6° | 113.0° |
| C7 | C8 | C9 | 105.3° | 104.2° |
| C8 | C7 | H4 | 110.5° | 110.3° |
| C8 | C7 | H5 | 110.5° | 110.3° |
| C7 | C8 | H6 | 110.5° | 110.5° |
| C7 | C8 | H7 | 110.5° | 110.5° |
| N2 | C11 | N1 | 128.5° | 121.8° |
| N2 | C11 | H9 | 115.7° | 119.1° |
| C9 | C10 | N1 | 120.1° | 120.3° |
| C10 | C9 | C8 | 104.9° | 105.9° |
| C10 | C9 | H8 | 113.6° | 113.7° |
| C10 | N1 | C11 | 116.9° | 120.6° |
| C9 | C8 | H6 | 110.5° | 110.5° |
| C9 | C8 | H7 | 110.5° | 110.6° |
| C8 | C9 | H8 | 114.4° | 113.1° |
| N1 | C11 | H9 | 115.8° | 119.1° |
| H1 | C5 | H2 | 109.5° | 109.2° |
| H4 | C7 | H5 | 109.4° | 110.4° |
| H6 | C8 | H7 | 109.5° | 110.4° |
| H19 | C1 | H20 | 109.5° | 115.6° |
| H21 | C | H22 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C17 | C16 | H15 | 180.0° | 179.6° |
| C17 | C18 | C19 | H14 | 180.0° | 179.9° |
| C18 | C17 | C16 | C15 | 1.9° | 0.7° |
| C17 | C18 | C19 | C20 | 0.2° | 0.1° |
| C17 | C18 | C19 | H13 | 179.8° | 180.0° |
| C18 | C17 | C16 | H16 | 178.0° | 180.0° |
| C16 | C17 | C18 | C19 | 2.0° | 0.4° |
| C17 | C16 | C15 | H16 | 180.0° | 179.3° |
| C17 | C16 | C15 | C20 | 0.4° | 0.6° |
| C17 | C16 | C15 | C14 | 178.4° | 179.7° |
| C16 | C17 | C18 | H14 | 178.0° | 179.7° |
| C18 | C19 | C20 | H13 | 180.0° | 180.0° |
| C18 | C19 | C20 | C15 | 2.6° | 0.0° |
| C18 | C19 | C20 | O | 175.7° | 180.0° |
| C19 | C18 | C17 | H15 | 178.0° | 180.0° |
| C16 | C15 | C20 | C19 | 2.6° | 0.3° |
| C16 | C15 | C20 | C14 | 178.8° | 179.7° |
| C16 | C15 | C20 | O | 175.6° | 179.7° |
| C16 | C15 | C14 | C13 | 5.7° | 0.3° |
| C16 | C15 | C14 | O1 | 174.8° | 179.7° |
| C15 | C16 | C17 | H15 | 178.1° | 179.7° |
| C19 | C20 | C15 | O | 178.2° | 180.0° |
| C19 | C20 | C15 | C14 | 176.2° | 180.0° |
| C19 | C20 | O | H12 | 174.6° | 89.9° |
| C20 | C19 | C18 | H14 | 179.8° | 180.0° |
| C | C1 | C2 | H19 | 109.5° | 107.5° |
| C | C1 | C2 | H20 | 109.4° | 107.5° |
| C1 | C | C2 | H21 | 109.4° | 107.4° |
| C1 | C | C2 | H22 | 109.4° | 107.5° |
| C | C1 | C2 | N | 108.5° | 107.5° |
| C | C1 | C2 | H18 | 106.4° | 107.5° |
| C | C1 | H19 | H20 | 144.8° | 145.6° |
| C1 | C | H21 | H22 | 144.8° | 145.8° |
| C1 | C2 | N | H18 | 145.0° | 145.7° |
| C1 | C2 | N | C3 | 147.5° | 155.1° |
| C1 | C2 | N | H17 | 90.5° | 25.0° |
| C2 | C1 | H19 | H20 | 144.8° | 145.8° |
| C20 | C15 | C14 | C13 | 175.5° | 180.0° |
| C20 | C15 | C14 | O1 | 3.9° | 0.0° |
| C15 | C20 | O | H12 | 7.2° | 90.0° |
| C15 | C20 | C19 | H13 | 177.4° | 180.0° |
| C20 | C15 | C16 | H16 | 179.6° | 180.0° |
| C14 | C15 | C20 | O | 5.6° | 0.0° |
| C15 | C14 | C13 | O1 | 179.4° | 180.0° |
| C15 | C14 | C13 | C12 | 173.0° | 180.0° |
| C15 | C14 | C13 | H11 | 7.0° | 0.0° |
| C14 | C15 | C16 | H16 | 1.6° | 0.3° |
| O | C20 | C19 | H13 | 4.3° | 0.0° |
| C | C2 | N | H18 | 145.4° | 145.7° |
| C | C2 | N | C3 | 77.9° | 136.2° |
| C | C2 | N | H17 | 160.2° | 43.7° |
| C2 | C | H21 | H22 | 144.8° | 145.7° |
| C2 | N | C3 | H17 | 121.9° | 180.0° |
| C2 | N | C3 | C4 | 178.6° | 180.0° |
| C2 | N | C3 | N2 | 0.8° | 0.0° |
| N | C2 | C1 | H19 | 142.0° | 0.1° |
| N | C2 | C1 | H20 | 0.9° | 145.0° |
| N | C2 | C | H21 | 1.3° | 145.1° |
| N | C2 | C | H22 | 142.4° | 0.0° |
| N | C3 | C4 | C5 | 3.0° | 0.6° |
| N | C3 | C4 | N2 | 177.8° | 180.0° |
| N | C3 | C4 | C10 | 175.9° | 179.7° |
| N | C3 | N2 | C11 | 176.8° | 179.8° |
| C3 | N | C2 | H18 | 67.5° | 9.4° |
| C6 | C5 | C4 | H1 | 120.5° | 120.3° |
| C6 | C5 | C4 | H2 | 120.5° | 120.3° |
| C5 | C6 | N3 | C7 | 118.0° | 117.7° |
| C5 | C6 | N3 | H3 | 123.4° | 121.8° |
| C5 | C6 | C7 | H3 | 124.4° | 123.6° |
| C6 | C5 | C4 | C3 | 169.3° | 173.5° |
| C6 | C5 | C4 | C10 | 9.4° | 6.8° |
| C5 | C6 | N3 | C12 | 106.1° | 102.8° |
| C5 | C6 | N3 | C9 | 76.1° | 77.2° |
| C5 | C6 | C7 | C8 | 92.7° | 94.6° |
| C6 | C5 | H1 | H2 | 118.6° | 119.4° |
| C5 | C6 | C7 | H4 | 26.7° | 24.3° |
| C5 | C6 | C7 | H5 | 147.9° | 146.6° |
| C4 | C5 | C6 | N3 | 43.2° | 44.4° |
| C4 | C5 | C6 | C7 | 68.6° | 69.8° |
| C5 | C4 | C3 | C10 | 178.8° | 179.7° |
| C5 | C4 | C3 | N2 | 179.3° | 179.4° |
| C5 | C4 | C10 | C9 | 4.4° | 1.0° |
| C5 | C4 | C10 | N1 | 179.2° | 179.3° |
| C4 | C5 | H1 | H2 | 118.6° | 119.4° |
| C4 | C5 | C6 | H3 | 167.1° | 166.2° |
| C14 | C13 | C12 | H11 | 180.0° | 180.0° |
| C14 | C13 | C12 | N3 | 164.7° | 180.0° |
| C14 | C13 | C12 | H10 | 15.2° | 0.0° |
| C12 | C13 | C14 | O1 | 6.4° | 0.1° |
| C13 | C12 | N3 | C6 | 5.3° | 180.0° |
| C13 | C12 | N3 | H10 | 180.0° | 179.9° |
| C13 | C12 | N3 | C9 | 172.2° | 0.1° |
| O1 | C14 | C13 | H11 | 173.6° | 180.0° |
| N3 | C6 | C7 | H3 | 119.3° | 120.2° |
| C6 | N3 | C12 | C9 | 177.4° | 179.9° |
| N3 | C6 | C7 | C8 | 23.6° | 21.6° |
| C6 | N3 | C9 | C10 | 66.9° | 68.5° |
| C6 | N3 | C9 | C8 | 42.3° | 43.1° |
| N3 | C6 | C5 | H1 | 77.3° | 164.6° |
| N3 | C6 | C5 | H2 | 163.6° | 76.0° |
| N3 | C6 | C7 | H4 | 143.0° | 140.4° |
| N3 | C6 | C7 | H5 | 95.8° | 97.3° |
| C6 | N3 | C9 | H8 | 166.7° | 165.9° |
| C6 | N3 | C12 | H10 | 174.8° | 0.0° |
| C7 | C6 | N3 | C12 | 135.9° | 139.5° |
| C7 | C6 | N3 | C9 | 41.9° | 40.4° |
| C6 | C7 | C8 | H4 | 119.4° | 118.8° |
| C6 | C7 | C8 | H5 | 119.4° | 118.9° |
| C6 | C7 | C8 | C9 | 0.8° | 4.5° |
| C7 | C6 | C5 | H1 | 171.0° | 50.4° |
| C7 | C6 | C5 | H2 | 51.9° | 169.8° |
| C6 | C7 | H4 | H5 | 121.9° | 122.2° |
| C6 | C7 | C8 | H6 | 120.1° | 123.2° |
| C6 | C7 | C8 | H7 | 118.6° | 114.3° |
| C4 | C3 | N2 | C11 | 1.1° | 0.1° |
| C3 | C4 | C10 | C9 | 174.4° | 179.3° |
| C3 | C4 | C10 | N1 | 2.0° | 0.4° |
| C3 | C4 | C5 | H1 | 70.2° | 53.2° |
| C3 | C4 | C5 | H2 | 48.9° | 66.2° |
| C4 | C3 | N | H17 | 56.7° | 0.1° |
| N2 | C3 | C4 | C10 | 1.9° | 0.3° |
| C3 | N2 | C11 | N1 | 0.3° | 0.1° |
| C3 | N2 | C11 | H9 | 179.7° | 179.8° |
| N2 | C3 | N | H17 | 121.2° | 180.0° |
| C4 | C10 | C9 | N3 | 31.9° | 32.1° |
| C4 | C10 | C9 | N1 | 176.4° | 179.7° |
| C4 | C10 | C9 | C8 | 74.9° | 77.9° |
| C4 | C10 | N1 | C11 | 1.2° | 0.4° |
| C10 | C4 | C5 | H1 | 111.0° | 127.1° |
| C10 | C4 | C5 | H2 | 129.9° | 113.5° |
| C4 | C10 | C9 | H8 | 159.6° | 157.4° |
| C12 | N3 | C9 | C10 | 115.2° | 111.6° |
| C12 | N3 | C9 | C8 | 135.6° | 136.9° |
| C12 | N3 | C6 | H3 | 17.3° | 19.0° |
| C12 | N3 | C9 | H8 | 11.2° | 14.1° |
| N3 | C12 | C13 | H11 | 15.2° | 0.1° |
| N3 | C9 | C8 | C7 | 24.8° | 28.9° |
| N3 | C9 | C10 | C8 | 106.8° | 110.0° |
| N3 | C9 | C10 | H8 | 127.7° | 125.3° |
| N3 | C9 | C10 | N1 | 151.7° | 148.2° |
| N3 | C9 | C8 | H8 | 125.2° | 122.7° |
| C9 | N3 | C6 | H3 | 160.5° | 160.9° |
| N3 | C9 | C8 | H6 | 144.1° | 147.6° |
| N3 | C9 | C8 | H7 | 94.6° | 89.8° |
| C9 | N3 | C12 | H10 | 7.8° | 180.0° |
| C7 | C8 | C9 | C10 | 85.0° | 83.3° |
| C7 | C8 | C9 | H6 | 119.3° | 118.7° |
| C7 | C8 | C9 | H7 | 119.4° | 118.8° |
| C8 | C7 | C6 | H3 | 142.9° | 141.8° |
| C8 | C7 | H4 | H5 | 121.8° | 122.2° |
| C7 | C8 | H6 | H7 | 121.9° | 122.5° |
| C7 | C8 | C9 | H8 | 149.9° | 151.7° |
| N2 | C11 | N1 | C10 | 0.4° | 0.3° |
| N2 | C11 | N1 | H9 | 180.0° | 179.7° |
| C10 | C9 | C8 | H8 | 125.1° | 125.1° |
| C9 | C10 | N1 | C11 | 175.1° | 179.3° |
| C10 | C9 | C8 | H6 | 34.3° | 35.5° |
| C10 | C9 | C8 | H7 | 155.7° | 158.0° |
| N1 | C10 | C9 | C8 | 101.6° | 101.8° |
| N1 | C10 | C9 | H8 | 24.0° | 22.9° |
| C10 | N1 | C11 | H9 | 179.6° | 179.9° |
| C9 | C8 | C7 | H4 | 118.6° | 114.3° |
| C9 | C8 | C7 | H5 | 120.2° | 123.4° |
| C9 | C8 | H6 | H7 | 122.0° | 122.7° |
| H1 | C5 | C6 | H3 | 46.7° | 73.5° |
| H2 | C5 | C6 | H3 | 72.4° | 45.9° |
| H3 | C6 | C7 | H4 | 97.7° | 99.3° |
| H3 | C6 | C7 | H5 | 23.6° | 22.9° |
| H4 | C7 | C8 | H6 | 0.8° | 4.4° |
| H4 | C7 | C8 | H7 | 122.1° | 126.8° |
| H5 | C7 | C8 | H6 | 120.5° | 117.9° |
| H5 | C7 | C8 | H7 | 0.8° | 4.6° |
| H6 | C8 | C9 | H8 | 90.7° | 89.6° |
| H7 | C8 | C9 | H8 | 30.6° | 32.9° |
| H10 | C12 | C13 | H11 | 164.8° | 180.0° |
| H13 | C19 | C18 | H14 | 0.2° | 0.1° |
| H14 | C18 | C17 | H15 | 2.0° | 0.1° |
| H15 | C17 | C16 | H16 | 1.9° | 0.4° |
| H17 | N | C2 | H18 | 54.4° | 170.6° |
| H18 | C2 | C1 | H19 | 3.1° | 145.1° |
| H18 | C2 | C1 | H20 | 144.2° | 0.0° |
| H18 | C2 | C | H21 | 144.2° | 0.1° |
| H18 | C2 | C | H22 | 3.1° | 145.0° |
| H19 | C1 | C | H21 | 141.1° | 145.0° |
| H19 | C1 | C | H22 | 0.0° | 0.1° |
| H20 | C1 | C | H21 | 0.0° | 0.1° |
| H20 | C1 | C | H22 | 141.2° | 145.0° |
