5H5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | N23 | sing | 1.33Å | 1.32Å | Aromatic |
| C24 | N25 | doub | 1.31Å | 1.30Å | Aromatic |
| N23 | C22 | doub | 1.32Å | 1.32Å | Aromatic |
| N25 | N26 | sing | 1.40Å | 1.40Å | Aromatic |
| C22 | N26 | sing | 1.35Å | 1.36Å | Aromatic |
| C22 | C16 | sing | 1.48Å | 1.48Å | |
| N26 | C27 | sing | 1.47Å | 1.47Å | |
| C29 | C27 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | doub | 1.36Å | 1.36Å | Aromatic |
| C15 | N14 | sing | 1.36Å | 1.36Å | Aromatic |
| C16 | N17 | sing | 1.35Å | 1.34Å | Aromatic |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| N14 | C13 | sing | 1.46Å | 1.46Å | |
| N14 | C18 | sing | 1.37Å | 1.39Å | Aromatic |
| N17 | C18 | doub | 1.30Å | 1.30Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C12 | O11 | sing | 1.43Å | 1.42Å | |
| C18 | C19 | sing | 1.48Å | 1.50Å | |
| C19 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| C19 | C10 | sing | 1.41Å | 1.43Å | Aromatic |
| O11 | C10 | sing | 1.35Å | 1.35Å | |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| N1 | C2 | sing | 1.35Å | 1.35Å | |
| C21 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | O7 | sing | 1.36Å | 1.38Å | |
| C2 | O3 | doub | 1.21Å | 1.21Å | |
| C2 | C4 | sing | 1.51Å | 1.51Å | |
| O7 | C4 | sing | 1.43Å | 1.44Å | |
| C4 | C6 | sing | 1.53Å | 1.53Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C21 | H8 | sing | 1.08Å | 1.08Å | |
| C24 | H9 | sing | 1.08Å | 1.08Å | |
| C27 | H10 | sing | 1.09Å | 1.10Å | |
| N1 | H11 | sing | 0.97Å | 1.00Å | |
| N1 | H12 | sing | 0.97Å | 1.00Å | |
| C9 | H13 | sing | 1.08Å | 1.08Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.08Å | 1.08Å | |
| C28 | H17 | sing | 1.09Å | 1.10Å | |
| C28 | H18 | sing | 1.09Å | 1.10Å | |
| C28 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| C29 | H22 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N23 | C24 | N25 | 108.9° | 109.2° |
| C24 | N23 | C22 | 110.4° | 109.7° |
| N23 | C24 | H9 | 125.6° | 125.4° |
| C24 | N25 | N26 | 107.5° | 107.0° |
| N25 | C24 | H9 | 125.5° | 125.4° |
| N23 | C22 | N26 | 107.4° | 107.8° |
| N23 | C22 | C16 | 123.3° | 126.1° |
| N25 | N26 | C22 | 105.8° | 106.3° |
| N25 | N26 | C27 | 124.0° | 126.9° |
| N26 | C22 | C16 | 129.3° | 126.1° |
| C22 | N26 | C27 | 130.2° | 126.9° |
| C22 | C16 | C15 | 125.9° | 126.0° |
| C22 | C16 | N17 | 127.5° | 125.9° |
| N26 | C27 | C29 | 108.5° | 109.4° |
| N26 | C27 | C28 | 109.9° | 109.5° |
| N26 | C27 | H10 | 110.4° | 109.5° |
| C29 | C27 | C28 | 108.8° | 109.5° |
| C29 | C27 | H10 | 109.6° | 109.5° |
| C27 | C29 | H20 | 109.5° | 109.5° |
| C27 | C29 | H21 | 109.4° | 109.5° |
| C27 | C29 | H22 | 109.5° | 109.5° |
| C16 | C15 | N14 | 108.0° | 106.8° |
| C15 | C16 | N17 | 106.6° | 108.1° |
| C16 | C15 | H7 | 126.0° | 126.6° |
| C15 | N14 | C13 | 124.6° | 129.5° |
| C15 | N14 | C18 | 107.0° | 107.3° |
| N14 | C15 | H7 | 126.0° | 126.6° |
| C16 | N17 | C18 | 111.8° | 108.8° |
| C28 | C27 | H10 | 109.6° | 109.5° |
| C27 | C28 | H17 | 109.5° | 109.5° |
| C27 | C28 | H18 | 109.5° | 109.5° |
| C27 | C28 | H19 | 109.4° | 109.4° |
| C13 | N14 | C18 | 128.4° | 123.1° |
| N14 | C13 | C12 | 112.8° | 110.2° |
| N14 | C13 | H14 | 108.6° | 109.4° |
| N14 | C13 | H15 | 108.6° | 109.3° |
| N14 | C18 | N17 | 106.6° | 108.9° |
| N14 | C18 | C19 | 129.3° | 121.2° |
| N17 | C18 | C19 | 124.0° | 129.9° |
| C13 | C12 | O11 | 107.7° | 110.8° |
| C13 | C12 | H5 | 109.9° | 109.2° |
| C13 | C12 | H6 | 109.9° | 109.2° |
| C12 | C13 | H14 | 108.6° | 109.3° |
| C12 | C13 | H15 | 108.6° | 109.3° |
| C12 | O11 | C10 | 121.2° | 120.7° |
| O11 | C12 | H5 | 109.9° | 109.2° |
| O11 | C12 | H6 | 109.9° | 109.2° |
| C18 | C19 | C20 | 117.0° | 122.6° |
| C18 | C19 | C10 | 125.1° | 117.1° |
| C20 | C19 | C10 | 118.0° | 120.3° |
| C19 | C20 | C21 | 121.6° | 119.6° |
| C19 | C20 | H16 | 119.2° | 120.2° |
| C19 | C10 | O11 | 122.0° | 118.3° |
| C19 | C10 | C9 | 119.6° | 119.5° |
| O11 | C10 | C9 | 118.4° | 122.1° |
| C20 | C21 | C8 | 120.9° | 120.2° |
| C20 | C21 | H8 | 119.6° | 119.9° |
| C21 | C20 | H16 | 119.2° | 120.2° |
| C10 | C9 | C8 | 121.6° | 119.8° |
| C10 | C9 | H13 | 119.2° | 120.1° |
| N1 | C2 | O3 | 119.7° | 120.0° |
| N1 | C2 | C4 | 120.4° | 120.0° |
| C2 | N1 | H11 | 120.0° | 120.0° |
| C2 | N1 | H12 | 120.0° | 120.0° |
| C21 | C8 | C9 | 118.4° | 120.5° |
| C21 | C8 | O7 | 124.1° | 119.7° |
| C8 | C21 | H8 | 119.6° | 119.9° |
| C9 | C8 | O7 | 117.6° | 119.7° |
| C8 | C9 | H13 | 119.2° | 120.1° |
| C8 | O7 | C4 | 123.5° | 117.0° |
| O3 | C2 | C4 | 119.9° | 120.0° |
| C2 | C4 | O7 | 110.8° | 109.5° |
| C2 | C4 | C6 | 109.8° | 109.5° |
| C2 | C4 | H1 | 108.5° | 109.5° |
| O7 | C4 | C6 | 109.9° | 109.5° |
| O7 | C4 | H1 | 109.5° | 109.5° |
| C6 | C4 | H1 | 108.3° | 109.4° |
| C4 | C6 | H2 | 109.5° | 109.5° |
| C4 | C6 | H3 | 109.5° | 109.4° |
| C4 | C6 | H4 | 109.4° | 109.5° |
| H2 | C6 | H3 | 109.5° | 109.5° |
| H2 | C6 | H4 | 109.5° | 109.5° |
| H3 | C6 | H4 | 109.5° | 109.4° |
| H5 | C12 | H6 | 109.5° | 109.2° |
| H11 | N1 | H12 | 120.0° | 120.0° |
| H14 | C13 | H15 | 109.5° | 109.4° |
| H17 | C28 | H18 | 109.4° | 109.5° |
| H17 | C28 | H19 | 109.5° | 109.4° |
| H18 | C28 | H19 | 109.5° | 109.5° |
| H20 | C29 | H21 | 109.5° | 109.4° |
| H20 | C29 | H22 | 109.4° | 109.5° |
| H21 | C29 | H22 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N23 | C24 | N25 | H9 | 180.0° | 179.8° |
| N23 | C24 | N25 | N26 | 0.2° | 0.1° |
| C24 | N23 | C22 | N26 | 0.4° | 0.1° |
| C24 | N23 | C22 | C16 | 179.5° | 180.0° |
| N25 | C24 | N23 | C22 | 0.1° | 0.1° |
| C24 | N25 | N26 | C22 | 0.4° | 0.0° |
| C24 | N25 | N26 | C27 | 179.7° | 179.9° |
| N23 | C22 | N26 | N25 | 0.5° | 0.0° |
| N23 | C22 | N26 | C16 | 179.1° | 179.9° |
| N23 | C22 | N26 | C27 | 179.7° | 180.0° |
| N23 | C22 | C16 | C15 | 6.2° | 0.1° |
| N23 | C22 | C16 | N17 | 174.2° | 179.9° |
| C22 | N23 | C24 | H9 | 179.9° | 179.7° |
| N25 | N26 | C22 | C27 | 179.2° | 180.0° |
| N25 | N26 | C22 | C16 | 179.6° | 179.9° |
| N25 | N26 | C27 | C29 | 60.0° | 60.0° |
| N25 | N26 | C27 | C28 | 58.9° | 60.0° |
| N26 | N25 | C24 | H9 | 179.8° | 179.8° |
| N25 | N26 | C27 | H10 | 179.9° | 180.0° |
| C22 | N26 | C27 | C29 | 119.1° | 120.0° |
| N26 | C22 | C16 | C15 | 172.8° | 180.0° |
| N26 | C22 | C16 | N17 | 6.8° | 0.0° |
| C22 | N26 | C27 | C28 | 122.0° | 120.0° |
| C22 | N26 | C27 | H10 | 1.0° | 0.0° |
| C16 | C22 | N26 | C27 | 1.2° | 0.1° |
| C22 | C16 | C15 | N17 | 179.7° | 180.0° |
| C22 | C16 | C15 | N14 | 179.9° | 179.7° |
| C22 | C16 | N17 | C18 | 179.7° | 179.9° |
| C22 | C16 | C15 | H7 | 0.1° | 0.3° |
| N26 | C27 | C29 | C28 | 119.6° | 120.0° |
| N26 | C27 | C29 | H10 | 120.6° | 120.0° |
| N26 | C27 | C28 | H10 | 121.5° | 120.0° |
| N26 | C27 | C28 | H17 | 180.0° | 59.9° |
| N26 | C27 | C28 | H18 | 60.0° | 180.0° |
| N26 | C27 | C28 | H19 | 60.0° | 60.0° |
| N26 | C27 | C29 | H20 | 180.0° | 60.0° |
| N26 | C27 | C29 | H21 | 60.0° | 180.0° |
| N26 | C27 | C29 | H22 | 60.0° | 60.0° |
| C29 | C27 | C28 | H10 | 119.8° | 120.0° |
| C29 | C27 | C28 | H17 | 61.3° | 60.0° |
| C29 | C27 | C28 | H18 | 58.7° | 60.0° |
| C29 | C27 | C28 | H19 | 178.7° | 180.0° |
| C27 | C29 | H20 | H21 | 120.0° | 120.0° |
| C27 | C29 | H20 | H22 | 120.0° | 120.1° |
| C27 | C29 | H21 | H22 | 120.0° | 120.0° |
| C16 | C15 | N14 | H7 | 180.0° | 180.0° |
| C16 | C15 | N14 | C13 | 179.7° | 178.7° |
| C16 | C15 | N14 | C18 | 0.4° | 0.5° |
| C15 | C16 | N17 | C18 | 0.0° | 0.2° |
| N14 | C15 | C16 | N17 | 0.3° | 0.3° |
| C15 | N14 | C13 | C18 | 179.1° | 179.2° |
| C15 | N14 | C18 | N17 | 0.4° | 0.7° |
| C15 | N14 | C13 | C12 | 150.5° | 111.1° |
| C15 | N14 | C18 | C19 | 179.8° | 178.7° |
| C15 | N14 | C13 | H14 | 89.0° | 9.1° |
| C15 | N14 | C13 | H15 | 30.0° | 128.8° |
| C16 | N17 | C18 | N14 | 0.3° | 0.5° |
| C16 | N17 | C18 | C19 | 179.7° | 178.8° |
| N17 | C16 | C15 | H7 | 179.7° | 179.7° |
| C27 | C28 | H17 | H18 | 120.0° | 120.0° |
| C27 | C28 | H17 | H19 | 120.0° | 119.9° |
| C27 | C28 | H18 | H19 | 120.0° | 119.9° |
| C28 | C27 | C29 | H20 | 60.4° | 180.0° |
| C28 | C27 | C29 | H21 | 179.6° | 60.0° |
| C28 | C27 | C29 | H22 | 59.6° | 60.0° |
| C13 | N14 | C18 | N17 | 179.6° | 178.7° |
| N14 | C13 | C12 | H14 | 120.5° | 120.2° |
| N14 | C13 | C12 | H15 | 120.5° | 120.1° |
| N14 | C13 | C12 | O11 | 73.9° | 43.2° |
| C13 | N14 | C18 | C19 | 1.0° | 1.9° |
| N14 | C13 | C12 | H5 | 166.3° | 77.1° |
| N14 | C13 | C12 | H6 | 45.8° | 163.5° |
| C13 | N14 | C15 | H7 | 0.4° | 1.3° |
| N14 | C13 | H14 | H15 | 118.5° | 119.6° |
| N14 | C18 | N17 | C19 | 179.4° | 179.3° |
| C18 | N14 | C13 | C12 | 30.4° | 69.7° |
| N14 | C18 | C19 | C20 | 175.3° | 135.8° |
| N14 | C18 | C19 | C10 | 4.6° | 43.6° |
| C18 | N14 | C15 | H7 | 179.6° | 179.4° |
| C18 | N14 | C13 | H14 | 90.1° | 170.1° |
| C18 | N14 | C13 | H15 | 150.9° | 50.4° |
| N17 | C18 | C19 | C20 | 4.0° | 44.9° |
| N17 | C18 | C19 | C10 | 176.2° | 135.7° |
| C13 | C12 | O11 | H5 | 119.7° | 120.3° |
| C13 | C12 | O11 | H6 | 119.7° | 120.3° |
| C13 | C12 | O11 | C10 | 91.1° | 45.3° |
| C13 | C12 | H5 | H6 | 120.8° | 119.3° |
| C12 | C13 | H14 | H15 | 118.5° | 119.7° |
| C12 | O11 | C10 | C19 | 46.9° | 79.2° |
| C12 | O11 | C10 | C9 | 133.0° | 104.4° |
| O11 | C12 | H5 | H6 | 120.8° | 119.4° |
| O11 | C12 | C13 | H14 | 46.6° | 163.4° |
| O11 | C12 | C13 | H15 | 165.6° | 76.9° |
| C18 | C19 | C20 | C10 | 179.9° | 179.4° |
| C18 | C19 | C10 | O11 | 0.0° | 6.3° |
| C18 | C19 | C20 | C21 | 179.9° | 178.1° |
| C18 | C19 | C10 | C9 | 179.9° | 177.2° |
| C18 | C19 | C20 | H16 | 0.1° | 2.1° |
| C20 | C19 | C10 | O11 | 179.8° | 174.2° |
| C19 | C20 | C21 | H16 | 180.0° | 179.8° |
| C20 | C19 | C10 | C9 | 0.1° | 2.2° |
| C19 | C20 | C21 | C8 | 0.0° | 0.1° |
| C19 | C20 | C21 | H8 | 180.0° | 179.9° |
| C19 | C10 | O11 | C9 | 179.9° | 176.4° |
| C10 | C19 | C20 | C21 | 0.1° | 1.3° |
| C19 | C10 | C9 | C8 | 0.0° | 1.7° |
| C19 | C10 | C9 | H13 | 180.0° | 178.2° |
| C10 | C19 | C20 | H16 | 179.9° | 178.5° |
| O11 | C10 | C9 | C8 | 179.9° | 174.6° |
| C10 | O11 | C12 | H5 | 149.2° | 165.6° |
| C10 | O11 | C12 | H6 | 28.6° | 75.0° |
| O11 | C10 | C9 | H13 | 0.1° | 5.4° |
| C20 | C21 | C8 | H8 | 180.0° | 180.0° |
| C20 | C21 | C8 | C9 | 0.0° | 0.6° |
| C20 | C21 | C8 | O7 | 180.0° | 179.1° |
| C10 | C9 | C8 | C21 | 0.0° | 0.3° |
| C10 | C9 | C8 | H13 | 180.0° | 180.0° |
| C10 | C9 | C8 | O7 | 179.9° | 180.0° |
| N1 | C2 | O3 | C4 | 178.0° | 179.8° |
| N1 | C2 | C4 | O7 | 27.4° | 175.2° |
| N1 | C2 | C4 | C6 | 94.2° | 64.7° |
| N1 | C2 | C4 | H1 | 147.6° | 55.3° |
| C2 | N1 | H11 | H12 | 180.0° | 180.0° |
| C21 | C8 | C9 | O7 | 180.0° | 179.7° |
| C21 | C8 | O7 | C4 | 2.9° | 174.5° |
| C21 | C8 | C9 | H13 | 180.0° | 179.6° |
| C8 | C21 | C20 | H16 | 180.0° | 179.9° |
| C9 | C8 | O7 | C4 | 177.1° | 5.1° |
| C9 | C8 | C21 | H8 | 180.0° | 179.4° |
| C8 | O7 | C4 | C2 | 68.0° | 155.3° |
| C8 | O7 | C4 | C6 | 170.5° | 84.7° |
| C8 | O7 | C4 | H1 | 51.7° | 35.3° |
| O7 | C8 | C21 | H8 | 0.0° | 1.0° |
| O7 | C8 | C9 | H13 | 0.0° | 0.0° |
| O3 | C2 | C4 | O7 | 150.6° | 4.9° |
| O3 | C2 | C4 | C6 | 87.9° | 115.1° |
| O3 | C2 | C4 | H1 | 30.3° | 124.9° |
| O3 | C2 | N1 | H11 | 0.0° | 0.1° |
| O3 | C2 | N1 | H12 | 180.0° | 180.0° |
| C2 | C4 | O7 | C6 | 121.5° | 120.0° |
| C2 | C4 | O7 | H1 | 119.7° | 120.0° |
| C2 | C4 | C6 | H1 | 118.4° | 120.0° |
| C2 | C4 | C6 | H2 | 180.0° | 180.0° |
| C2 | C4 | C6 | H3 | 60.0° | 60.0° |
| C2 | C4 | C6 | H4 | 60.0° | 59.9° |
| C4 | C2 | N1 | H11 | 177.9° | 179.7° |
| C4 | C2 | N1 | H12 | 2.0° | 0.2° |
| O7 | C4 | C6 | H1 | 119.5° | 120.0° |
| O7 | C4 | C6 | H2 | 57.9° | 60.0° |
| O7 | C4 | C6 | H3 | 62.1° | 60.0° |
| O7 | C4 | C6 | H4 | 177.9° | 180.0° |
| C4 | C6 | H2 | H3 | 120.0° | 120.0° |
| C4 | C6 | H2 | H4 | 120.0° | 120.1° |
| C4 | C6 | H3 | H4 | 120.0° | 120.0° |
| H1 | C4 | C6 | H2 | 61.7° | 60.0° |
| H1 | C4 | C6 | H3 | 178.4° | 180.0° |
| H1 | C4 | C6 | H4 | 58.4° | 60.1° |
| H2 | C6 | H3 | H4 | 120.0° | 120.0° |
| H5 | C12 | C13 | H14 | 73.2° | 43.1° |
| H5 | C12 | C13 | H15 | 45.9° | 162.8° |
| H6 | C12 | C13 | H14 | 166.3° | 76.2° |
| H6 | C12 | C13 | H15 | 74.7° | 43.5° |
| H8 | C21 | C20 | H16 | 0.0° | 0.1° |
| H10 | C27 | C28 | H17 | 58.5° | 179.9° |
| H10 | C27 | C28 | H18 | 178.5° | 60.0° |
| H10 | C27 | C28 | H19 | 61.5° | 60.0° |
| H10 | C27 | C29 | H20 | 59.4° | 60.0° |
| H10 | C27 | C29 | H21 | 60.6° | 60.0° |
| H10 | C27 | C29 | H22 | 179.4° | NaN° |
| H17 | C28 | H18 | H19 | 120.0° | 120.0° |
| H20 | C29 | H21 | H22 | 120.0° | 119.9° |
