2HJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | N29 | sing | 1.32Å | 1.33Å | Aromatic |
| C27 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| N29 | C30 | doub | 1.32Å | 1.32Å | Aromatic |
| C26 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C30 | C25 | sing | 1.39Å | 1.40Å | Aromatic |
| C25 | N24 | sing | 1.40Å | 1.40Å | |
| N24 | C22 | sing | 1.35Å | 1.36Å | |
| O23 | C22 | doub | 1.22Å | 1.22Å | |
| C22 | C19 | sing | 1.48Å | 1.47Å | |
| C19 | C20 | doub | 1.40Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.40Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.37Å | Aromatic |
| C21 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.51Å | 1.50Å | |
| N14 | C15 | sing | 1.46Å | 1.47Å | |
| N14 | S11 | sing | 1.66Å | 1.66Å | |
| O12 | S11 | doub | 1.42Å | 1.43Å | |
| S11 | O13 | doub | 1.42Å | 1.43Å | |
| S11 | C8 | sing | 1.76Å | 1.77Å | |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C2 | sing | 1.51Å | 1.52Å | |
| C4 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.08Å | 1.08Å | |
| C7 | H11 | sing | 1.08Å | 1.08Å | |
| C9 | H12 | sing | 1.08Å | 1.08Å | |
| C10 | H13 | sing | 1.08Å | 1.08Å | |
| N14 | H14 | sing | 0.97Å | 1.00Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | H20 | sing | 1.08Å | 1.08Å | |
| N24 | H21 | sing | 0.97Å | 1.00Å | |
| C26 | H22 | sing | 1.08Å | 1.08Å | |
| C27 | H23 | sing | 1.08Å | 1.08Å | |
| C28 | H24 | sing | 1.08Å | 1.08Å | |
| C30 | H25 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C28 | N29 | 120.8° | 120.9° |
| C28 | C27 | C26 | 119.0° | 119.3° |
| C28 | C27 | H23 | 120.5° | 120.4° |
| C27 | C28 | H24 | 119.6° | 119.6° |
| C28 | N29 | C30 | 121.6° | 121.8° |
| N29 | C28 | H24 | 119.6° | 119.5° |
| C27 | C26 | C25 | 119.1° | 118.4° |
| C27 | C26 | H22 | 120.4° | 120.9° |
| C26 | C27 | H23 | 120.5° | 120.4° |
| N29 | C30 | C25 | 120.9° | 120.6° |
| N29 | C30 | H25 | 119.6° | 119.7° |
| C26 | C25 | C30 | 118.4° | 119.0° |
| C26 | C25 | N24 | 120.1° | 120.5° |
| C25 | C26 | H22 | 120.5° | 120.8° |
| C30 | C25 | N24 | 120.6° | 120.5° |
| C25 | C30 | H25 | 119.6° | 119.7° |
| C25 | N24 | C22 | 130.1° | 120.0° |
| C25 | N24 | H21 | 115.0° | 120.0° |
| N24 | C22 | O23 | 123.3° | 120.0° |
| N24 | C22 | C19 | 113.3° | 120.0° |
| C22 | N24 | H21 | 115.0° | 120.0° |
| O23 | C22 | C19 | 122.8° | 120.0° |
| C22 | C19 | C20 | 123.2° | 120.2° |
| C22 | C19 | C18 | 116.7° | 120.1° |
| C20 | C19 | C18 | 119.5° | 119.7° |
| C19 | C20 | C21 | 119.1° | 119.9° |
| C19 | C20 | H19 | 120.5° | 120.0° |
| C19 | C18 | C17 | 121.0° | 119.8° |
| C19 | C18 | H18 | 119.5° | 120.1° |
| C20 | C21 | C16 | 120.3° | 120.1° |
| C21 | C20 | H19 | 120.5° | 120.1° |
| C20 | C21 | H20 | 119.9° | 119.9° |
| C18 | C17 | C16 | 119.1° | 120.2° |
| C18 | C17 | H17 | 120.4° | 119.9° |
| C17 | C18 | H18 | 119.5° | 120.1° |
| C21 | C16 | C17 | 121.0° | 120.3° |
| C21 | C16 | C15 | 121.4° | 119.9° |
| C16 | C21 | H20 | 119.9° | 119.9° |
| C17 | C16 | C15 | 117.6° | 119.9° |
| C16 | C17 | H17 | 120.5° | 119.9° |
| C16 | C15 | N14 | 104.2° | 109.5° |
| C16 | C15 | H15 | 110.8° | 109.5° |
| C16 | C15 | H16 | 110.8° | 109.5° |
| C15 | N14 | S11 | 119.3° | 120.0° |
| C15 | N14 | H14 | 107.0° | 120.0° |
| N14 | C15 | H15 | 110.8° | 109.5° |
| N14 | C15 | H16 | 110.8° | 109.5° |
| N14 | S11 | O12 | 109.6° | 106.4° |
| N14 | S11 | O13 | 105.5° | 106.4° |
| N14 | S11 | C8 | 104.0° | 107.2° |
| S11 | N14 | H14 | 107.0° | 120.0° |
| O12 | S11 | O13 | 123.4° | 123.2° |
| O12 | S11 | C8 | 107.1° | 106.4° |
| O13 | S11 | C8 | 105.7° | 106.4° |
| S11 | C8 | C7 | 119.4° | 120.0° |
| S11 | C8 | C9 | 121.5° | 120.0° |
| C8 | C7 | C6 | 120.5° | 120.0° |
| C7 | C8 | C9 | 119.1° | 120.0° |
| C8 | C7 | H11 | 119.7° | 120.0° |
| C7 | C6 | C5 | 120.7° | 120.0° |
| C7 | C6 | H10 | 119.6° | 120.0° |
| C6 | C7 | H11 | 119.8° | 120.0° |
| C8 | C9 | C10 | 120.4° | 120.0° |
| C8 | C9 | H12 | 119.8° | 120.0° |
| C6 | C5 | C10 | 119.2° | 120.0° |
| C6 | C5 | C2 | 118.5° | 120.0° |
| C5 | C6 | H10 | 119.7° | 120.0° |
| C9 | C10 | C5 | 120.1° | 120.0° |
| C10 | C9 | H12 | 119.8° | 120.0° |
| C9 | C10 | H13 | 119.9° | 120.0° |
| C10 | C5 | C2 | 122.2° | 120.0° |
| C5 | C10 | H13 | 120.0° | 120.0° |
| C5 | C2 | C4 | 109.1° | 109.5° |
| C5 | C2 | C1 | 108.4° | 109.5° |
| C5 | C2 | C3 | 111.4° | 109.5° |
| C4 | C2 | C1 | 109.8° | 109.5° |
| C4 | C2 | C3 | 108.6° | 109.5° |
| C2 | C4 | H7 | 109.5° | 109.4° |
| C2 | C4 | H8 | 109.5° | 109.5° |
| C2 | C4 | H9 | 109.5° | 109.5° |
| C1 | C2 | C3 | 109.5° | 109.4° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C2 | C3 | H4 | 109.5° | 109.5° |
| C2 | C3 | H5 | 109.4° | 109.4° |
| C2 | C3 | H6 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.4° | 109.5° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| H4 | C3 | H6 | 109.5° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.4° |
| H7 | C4 | H8 | 109.4° | 109.5° |
| H7 | C4 | H9 | 109.5° | 109.5° |
| H8 | C4 | H9 | 109.5° | 109.5° |
| H15 | C15 | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C28 | N29 | H24 | 180.0° | 179.9° |
| C28 | C27 | C26 | H23 | 180.0° | 179.9° |
| C27 | C28 | N29 | C30 | 1.0° | 0.3° |
| C28 | C27 | C26 | C25 | 2.9° | 0.1° |
| C28 | C27 | C26 | H22 | 177.1° | 180.0° |
| N29 | C28 | C27 | C26 | 0.7° | 0.0° |
| C28 | N29 | C30 | C25 | 3.5° | 0.6° |
| N29 | C28 | C27 | H23 | 179.3° | 179.9° |
| C28 | N29 | C30 | H25 | 176.6° | 180.0° |
| C27 | C26 | C25 | H22 | 180.0° | 179.9° |
| C27 | C26 | C25 | C30 | 5.2° | 0.2° |
| C27 | C26 | C25 | N24 | 174.0° | 180.0° |
| C26 | C27 | C28 | H24 | 179.3° | 180.0° |
| N29 | C30 | C25 | C26 | 5.5° | 0.5° |
| N29 | C30 | C25 | H25 | 180.0° | 179.4° |
| N29 | C30 | C25 | N24 | 174.3° | 179.7° |
| C30 | N29 | C28 | H24 | 179.0° | 179.7° |
| C26 | C25 | C30 | N24 | 168.8° | 179.8° |
| C26 | C25 | N24 | C22 | 172.4° | 34.9° |
| C26 | C25 | N24 | H21 | 7.6° | 145.0° |
| C25 | C26 | C27 | H23 | 177.1° | 180.0° |
| C26 | C25 | C30 | H25 | 174.5° | 179.9° |
| C30 | C25 | N24 | C22 | 19.0° | 145.3° |
| C30 | C25 | N24 | H21 | 161.0° | 34.8° |
| C30 | C25 | C26 | H22 | 174.8° | 179.7° |
| C25 | N24 | C22 | H21 | 180.0° | 179.9° |
| C25 | N24 | C22 | O23 | 3.6° | 4.6° |
| C25 | N24 | C22 | C19 | 168.2° | 175.3° |
| N24 | C25 | C26 | H22 | 6.0° | 0.1° |
| N24 | C25 | C30 | H25 | 5.7° | 0.3° |
| N24 | C22 | O23 | C19 | 171.1° | 179.9° |
| N24 | C22 | C19 | C20 | 26.8° | 180.0° |
| N24 | C22 | C19 | C18 | 144.3° | 0.3° |
| O23 | C22 | C19 | C20 | 161.3° | 0.0° |
| O23 | C22 | C19 | C18 | 27.6° | 179.8° |
| O23 | C22 | N24 | H21 | 176.4° | 175.3° |
| C22 | C19 | C20 | C18 | 170.8° | 179.7° |
| C22 | C19 | C20 | C21 | 174.7° | 180.0° |
| C22 | C19 | C18 | C17 | 175.1° | 179.7° |
| C22 | C19 | C18 | H18 | 4.9° | 0.2° |
| C22 | C19 | C20 | H19 | 5.3° | 0.3° |
| C19 | C22 | N24 | H21 | 11.8° | 4.8° |
| C19 | C20 | C21 | H19 | 180.0° | 179.8° |
| C20 | C19 | C18 | C17 | 3.7° | 0.0° |
| C19 | C20 | C21 | C16 | 1.8° | 0.5° |
| C20 | C19 | C18 | H18 | 176.3° | 180.0° |
| C19 | C20 | C21 | H20 | 178.2° | 180.0° |
| C18 | C19 | C20 | C21 | 3.9° | 0.2° |
| C19 | C18 | C17 | H18 | 180.0° | 179.9° |
| C19 | C18 | C17 | C16 | 1.4° | 0.0° |
| C19 | C18 | C17 | H17 | 178.6° | 180.0° |
| C18 | C19 | C20 | H19 | 176.1° | 180.0° |
| C20 | C21 | C16 | H20 | 180.0° | 179.5° |
| C20 | C21 | C16 | C17 | 0.5° | 0.5° |
| C20 | C21 | C16 | C15 | 178.0° | 179.7° |
| C18 | C17 | C16 | C21 | 0.8° | 0.3° |
| C18 | C17 | C16 | H17 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 178.3° | 180.0° |
| C21 | C16 | C17 | C15 | 177.6° | 179.7° |
| C21 | C16 | C15 | N14 | 101.5° | 90.3° |
| C21 | C16 | C15 | H15 | 139.4° | 149.7° |
| C21 | C16 | C15 | H16 | 17.7° | 29.7° |
| C21 | C16 | C17 | H17 | 179.2° | 179.7° |
| C16 | C21 | C20 | H19 | 178.2° | 179.7° |
| C17 | C16 | C15 | N14 | 76.1° | 90.0° |
| C17 | C16 | C15 | H15 | 43.1° | 30.0° |
| C17 | C16 | C15 | H16 | 164.8° | 150.0° |
| C16 | C17 | C18 | H18 | 178.6° | 180.0° |
| C17 | C16 | C21 | H20 | 179.4° | 180.0° |
| C16 | C15 | N14 | H15 | 119.1° | 120.0° |
| C16 | C15 | N14 | H16 | 119.1° | 120.0° |
| C16 | C15 | N14 | S11 | 153.9° | 165.0° |
| C16 | C15 | N14 | H14 | 84.7° | 15.0° |
| C16 | C15 | H15 | H16 | 122.4° | 120.0° |
| C15 | C16 | C17 | H17 | 1.7° | 0.0° |
| C15 | C16 | C21 | H20 | 2.0° | 0.3° |
| C15 | N14 | S11 | H14 | 121.4° | 179.9° |
| C15 | N14 | S11 | O12 | 172.8° | 48.5° |
| C15 | N14 | S11 | O13 | 52.4° | 178.6° |
| C15 | N14 | S11 | C8 | 58.5° | 65.0° |
| N14 | C15 | H15 | H16 | 122.5° | 120.0° |
| N14 | S11 | O12 | O13 | 125.0° | 122.9° |
| N14 | S11 | O12 | C8 | 112.2° | 114.1° |
| N14 | S11 | O13 | C8 | 109.7° | 114.1° |
| N14 | S11 | C8 | C7 | 66.1° | 90.1° |
| N14 | S11 | C8 | C9 | 113.4° | 90.1° |
| S11 | N14 | C15 | H15 | 34.8° | 75.0° |
| S11 | N14 | C15 | H16 | 86.9° | 45.0° |
| O12 | S11 | O13 | C8 | 123.5° | 123.0° |
| O12 | S11 | C8 | C7 | 49.8° | 156.4° |
| O12 | S11 | C8 | C9 | 130.6° | 23.4° |
| O12 | S11 | N14 | H14 | 51.3° | 131.4° |
| O13 | S11 | C8 | C7 | 176.9° | 23.5° |
| O13 | S11 | C8 | C9 | 2.6° | 156.4° |
| O13 | S11 | N14 | H14 | 173.8° | 1.5° |
| S11 | C8 | C7 | C9 | 179.6° | 179.9° |
| S11 | C8 | C7 | C6 | 179.8° | 180.0° |
| S11 | C8 | C9 | C10 | 179.7° | 179.9° |
| S11 | C8 | C7 | H11 | 0.2° | 0.1° |
| S11 | C8 | C9 | H12 | 0.3° | 0.1° |
| C8 | S11 | N14 | H14 | 62.9° | 115.0° |
| C8 | C7 | C6 | H11 | 180.0° | 179.9° |
| C8 | C7 | C6 | C5 | 0.2° | 0.1° |
| C7 | C8 | C9 | C10 | 0.1° | 0.0° |
| C8 | C7 | C6 | H10 | 179.8° | 179.9° |
| C7 | C8 | C9 | H12 | 179.9° | 180.0° |
| C6 | C7 | C8 | C9 | 0.2° | 0.1° |
| C7 | C6 | C5 | H10 | 180.0° | 180.0° |
| C7 | C6 | C5 | C10 | 0.1° | 0.0° |
| C7 | C6 | C5 | C2 | 179.5° | 179.8° |
| C8 | C9 | C10 | H12 | 180.0° | 180.0° |
| C8 | C9 | C10 | C5 | 0.0° | 0.1° |
| C9 | C8 | C7 | H11 | 179.8° | 180.0° |
| C8 | C9 | C10 | H13 | 180.0° | 179.7° |
| C6 | C5 | C10 | C9 | 0.0° | 0.1° |
| C6 | C5 | C10 | C2 | 179.3° | 179.8° |
| C6 | C5 | C2 | C4 | 39.2° | 0.2° |
| C6 | C5 | C2 | C1 | 80.3° | 119.8° |
| C6 | C5 | C2 | C3 | 159.1° | 120.3° |
| C5 | C6 | C7 | H11 | 179.8° | 180.0° |
| C6 | C5 | C10 | H13 | 180.0° | 179.7° |
| C9 | C10 | C5 | H13 | 180.0° | 179.7° |
| C9 | C10 | C5 | C2 | 179.3° | 179.7° |
| C10 | C5 | C2 | C4 | 141.4° | 180.0° |
| C10 | C5 | C2 | C1 | 99.0° | 60.0° |
| C10 | C5 | C2 | C3 | 21.6° | 59.9° |
| C10 | C5 | C6 | H10 | 179.9° | 180.0° |
| C5 | C10 | C9 | H12 | 180.0° | 180.0° |
| C5 | C2 | C4 | C1 | 118.7° | 120.0° |
| C5 | C2 | C4 | C3 | 121.6° | 120.0° |
| C5 | C2 | C1 | C3 | 121.8° | 120.0° |
| C5 | C2 | C1 | H1 | 180.0° | 60.0° |
| C5 | C2 | C1 | H2 | 60.0° | 60.0° |
| C5 | C2 | C1 | H3 | 60.0° | 180.0° |
| C5 | C2 | C3 | H4 | 180.0° | 180.0° |
| C5 | C2 | C3 | H5 | 60.0° | 60.0° |
| C5 | C2 | C3 | H6 | 60.0° | 59.9° |
| C5 | C2 | C4 | H7 | 180.0° | 60.0° |
| C5 | C2 | C4 | H8 | 60.0° | 60.0° |
| C5 | C2 | C4 | H9 | 60.0° | 180.0° |
| C2 | C5 | C6 | H10 | 0.5° | 0.2° |
| C2 | C5 | C10 | H13 | 0.7° | 0.0° |
| C4 | C2 | C1 | C3 | 119.1° | 120.0° |
| C4 | C2 | C1 | H1 | 60.9° | 180.0° |
| C4 | C2 | C1 | H2 | 59.1° | 60.0° |
| C4 | C2 | C1 | H3 | 179.1° | 60.0° |
| C4 | C2 | C3 | H4 | 59.8° | 60.0° |
| C4 | C2 | C3 | H5 | 179.8° | 60.0° |
| C4 | C2 | C3 | H6 | 60.1° | 180.0° |
| C2 | C4 | H7 | H8 | 120.0° | 120.0° |
| C2 | C4 | H7 | H9 | 120.0° | 120.0° |
| C2 | C4 | H8 | H9 | 120.0° | 120.0° |
| C2 | C1 | H1 | H2 | 120.1° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H4 | 60.1° | 60.0° |
| C1 | C2 | C3 | H5 | 59.9° | 180.0° |
| C1 | C2 | C3 | H6 | 180.0° | 60.0° |
| C1 | C2 | C4 | H7 | 61.3° | 60.0° |
| C1 | C2 | C4 | H8 | 178.7° | 180.0° |
| C1 | C2 | C4 | H9 | 58.7° | 60.0° |
| C3 | C2 | C1 | H1 | 58.2° | 60.0° |
| C3 | C2 | C1 | H2 | 178.3° | 179.9° |
| C3 | C2 | C1 | H3 | 61.8° | 60.0° |
| C2 | C3 | H4 | H5 | 120.0° | 120.0° |
| C2 | C3 | H4 | H6 | 120.0° | 120.1° |
| C2 | C3 | H5 | H6 | 120.0° | 120.0° |
| C3 | C2 | C4 | H7 | 58.4° | 180.0° |
| C3 | C2 | C4 | H8 | 61.6° | 60.0° |
| C3 | C2 | C4 | H9 | 178.4° | 60.0° |
| H1 | C1 | H2 | H3 | 119.9° | 120.0° |
| H4 | C3 | H5 | H6 | 120.0° | 120.0° |
| H7 | C4 | H8 | H9 | 120.0° | 120.1° |
| H10 | C6 | C7 | H11 | 0.2° | 0.0° |
| H12 | C9 | C10 | H13 | 0.0° | 0.3° |
| H14 | N14 | C15 | H15 | 156.2° | 105.0° |
| H14 | N14 | C15 | H16 | 34.5° | 135.0° |
| H17 | C17 | C18 | H18 | 1.4° | 0.1° |
| H19 | C20 | C21 | H20 | 1.8° | 0.2° |
| H22 | C26 | C27 | H23 | 2.9° | 0.1° |
| H23 | C27 | C28 | H24 | 0.7° | 0.1° |
