6K2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N29 | C28 | doub | 1.32Å | 1.33Å | Aromatic |
| N29 | C30 | sing | 1.32Å | 1.35Å | Aromatic |
| C28 | C27 | sing | 1.39Å | 1.40Å | Aromatic |
| O8 | C7 | doub | 1.22Å | 1.19Å | |
| C19 | C20 | doub | 1.38Å | 1.41Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | N31 | doub | 1.32Å | 1.35Å | Aromatic |
| C20 | C21 | sing | 1.40Å | 1.43Å | Aromatic |
| C7 | C9 | sing | 1.48Å | 1.46Å | |
| C7 | C6 | sing | 1.47Å | 1.47Å | |
| C27 | C6 | sing | 1.47Å | 1.47Å | Aromatic |
| C27 | C32 | doub | 1.41Å | 1.43Å | Aromatic |
| C26 | C9 | doub | 1.40Å | 1.40Å | Aromatic |
| C26 | C13 | sing | 1.39Å | 1.41Å | Aromatic |
| C9 | C10 | sing | 1.40Å | 1.43Å | Aromatic |
| C17 | C18 | sing | 1.51Å | 1.54Å | |
| C17 | C15 | sing | 1.51Å | 1.53Å | |
| N14 | C13 | sing | 1.40Å | 1.39Å | |
| N14 | C15 | sing | 1.35Å | 1.35Å | |
| C6 | C5 | doub | 1.37Å | 1.39Å | Aromatic |
| C18 | C25 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | C12 | doub | 1.39Å | 1.42Å | Aromatic |
| C15 | O16 | doub | 1.21Å | 1.28Å | |
| C21 | C22 | sing | 1.43Å | 1.43Å | |
| C21 | C24 | doub | 1.40Å | 1.42Å | Aromatic |
| N31 | C32 | sing | 1.33Å | 1.37Å | Aromatic |
| C10 | N11 | doub | 1.32Å | 1.33Å | Aromatic |
| C22 | N23 | trip | 1.14Å | 1.11Å | |
| C32 | N4 | sing | 1.37Å | 1.37Å | Aromatic |
| C12 | N11 | sing | 1.32Å | 1.34Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | N4 | sing | 1.36Å | 1.35Å | Aromatic |
| N4 | C2 | sing | 1.47Å | 1.49Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.49Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.08Å | 1.08Å | |
| C24 | H6 | sing | 1.08Å | 1.08Å | |
| C26 | H7 | sing | 1.08Å | 1.08Å | |
| C28 | H8 | sing | 1.08Å | 1.08Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| N14 | H17 | sing | 0.97Å | 1.00Å | |
| C19 | H18 | sing | 1.08Å | 1.08Å | |
| C25 | H19 | sing | 1.08Å | 1.08Å | |
| C30 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | N29 | C30 | 120.6° | 121.0° |
| N29 | C28 | C27 | 121.1° | 118.5° |
| N29 | C28 | H8 | 119.4° | 120.7° |
| N29 | C30 | N31 | 122.5° | 122.6° |
| N29 | C30 | H20 | 118.7° | 118.6° |
| C28 | C27 | C6 | 135.2° | 135.2° |
| C28 | C27 | C32 | 116.6° | 118.9° |
| C27 | C28 | H8 | 119.4° | 120.8° |
| O8 | C7 | C9 | 117.4° | 120.0° |
| O8 | C7 | C6 | 119.0° | 120.0° |
| C20 | C19 | C18 | 119.9° | 120.2° |
| C19 | C20 | C21 | 118.3° | 119.8° |
| C19 | C20 | H5 | 120.9° | 120.1° |
| C20 | C19 | H18 | 120.0° | 119.9° |
| C19 | C18 | C17 | 119.3° | 119.8° |
| C19 | C18 | C25 | 121.9° | 120.3° |
| C18 | C19 | H18 | 120.0° | 119.9° |
| C30 | N31 | C32 | 118.9° | 120.5° |
| N31 | C30 | H20 | 118.7° | 118.8° |
| C20 | C21 | C22 | 121.7° | 120.1° |
| C20 | C21 | C24 | 121.5° | 119.7° |
| C21 | C20 | H5 | 120.9° | 120.1° |
| C9 | C7 | C6 | 123.6° | 120.0° |
| C7 | C9 | C26 | 123.6° | 120.5° |
| C7 | C9 | C10 | 118.6° | 120.6° |
| C7 | C6 | C27 | 127.0° | 126.9° |
| C7 | C6 | C5 | 129.1° | 126.9° |
| C6 | C27 | C32 | 108.1° | 106.0° |
| C27 | C6 | C5 | 103.9° | 106.3° |
| C27 | C32 | N31 | 120.1° | 118.5° |
| C27 | C32 | N4 | 105.3° | 107.5° |
| C9 | C26 | C13 | 117.9° | 118.2° |
| C26 | C9 | C10 | 117.6° | 118.9° |
| C9 | C26 | H7 | 121.1° | 120.9° |
| C26 | C13 | N14 | 122.4° | 120.4° |
| C26 | C13 | C12 | 121.0° | 119.1° |
| C13 | C26 | H7 | 121.0° | 120.8° |
| C9 | C10 | N11 | 122.5° | 120.7° |
| C9 | C10 | H2 | 118.8° | 119.6° |
| C18 | C17 | C15 | 112.3° | 109.5° |
| C17 | C18 | C25 | 118.8° | 119.9° |
| C18 | C17 | H3 | 108.8° | 109.4° |
| C18 | C17 | H4 | 108.8° | 109.4° |
| C17 | C15 | N14 | 110.3° | 120.0° |
| C17 | C15 | O16 | 124.9° | 120.0° |
| C15 | C17 | H3 | 108.7° | 109.5° |
| C15 | C17 | H4 | 108.8° | 109.5° |
| C13 | N14 | C15 | 122.3° | 120.0° |
| N14 | C13 | C12 | 116.7° | 120.4° |
| C13 | N14 | H17 | 118.8° | 120.0° |
| N14 | C15 | O16 | 124.9° | 120.1° |
| C15 | N14 | H17 | 118.9° | 120.0° |
| C6 | C5 | N4 | 110.6° | 109.8° |
| C6 | C5 | H1 | 124.7° | 125.1° |
| C18 | C25 | C24 | 119.6° | 120.2° |
| C18 | C25 | H19 | 120.2° | 119.9° |
| C13 | C12 | N11 | 119.3° | 121.0° |
| C13 | C12 | H16 | 120.3° | 119.5° |
| C22 | C21 | C24 | 116.9° | 120.1° |
| C21 | C22 | N23 | 179.9° | 179.9° |
| C21 | C24 | C25 | 118.8° | 119.8° |
| C21 | C24 | H6 | 120.6° | 120.1° |
| N31 | C32 | N4 | 134.6° | 134.1° |
| C10 | N11 | C12 | 121.5° | 121.9° |
| N11 | C10 | H2 | 118.8° | 119.6° |
| C32 | N4 | C5 | 111.7° | 110.6° |
| C32 | N4 | C2 | 118.4° | 124.7° |
| N11 | C12 | H16 | 120.4° | 119.5° |
| C25 | C24 | H6 | 120.6° | 120.1° |
| C24 | C25 | H19 | 120.2° | 120.0° |
| C5 | N4 | C2 | 129.8° | 124.7° |
| N4 | C5 | H1 | 124.7° | 125.1° |
| N4 | C2 | C3 | 115.6° | 109.4° |
| N4 | C2 | C1 | 110.5° | 109.5° |
| N4 | C2 | H12 | 104.4° | 109.5° |
| C3 | C2 | C1 | 116.3° | 109.5° |
| C3 | C2 | H12 | 104.0° | 109.5° |
| C2 | C3 | H13 | 109.5° | 109.5° |
| C2 | C3 | H14 | 109.5° | 109.4° |
| C2 | C3 | H15 | 109.5° | 109.5° |
| C2 | C1 | H9 | 109.5° | 109.4° |
| C2 | C1 | H10 | 109.5° | 109.5° |
| C2 | C1 | H11 | 109.4° | 109.5° |
| C1 | C2 | H12 | 104.3° | 109.5° |
| H3 | C17 | H4 | 109.5° | 109.5° |
| H9 | C1 | H10 | 109.5° | 109.5° |
| H9 | C1 | H11 | 109.5° | 109.5° |
| H10 | C1 | H11 | 109.5° | 109.5° |
| H13 | C3 | H14 | 109.5° | 109.5° |
| H13 | C3 | H15 | 109.4° | 109.5° |
| H14 | C3 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N29 | C28 | C27 | H8 | 180.0° | 179.9° |
| C28 | N29 | C30 | N31 | 0.7° | 0.6° |
| N29 | C28 | C27 | C6 | 177.9° | 180.0° |
| N29 | C28 | C27 | C32 | 1.8° | 0.3° |
| C28 | N29 | C30 | H20 | 179.3° | 180.0° |
| C30 | N29 | C28 | C27 | 1.1° | 0.0° |
| N29 | C30 | N31 | H20 | 180.0° | 179.4° |
| N29 | C30 | N31 | C32 | 1.7° | 0.8° |
| C30 | N29 | C28 | H8 | 178.9° | 180.0° |
| C28 | C27 | C6 | C7 | 7.0° | 0.0° |
| C28 | C27 | C6 | C32 | 176.3° | 179.8° |
| C28 | C27 | C6 | C5 | 173.9° | 180.0° |
| C28 | C27 | C32 | N31 | 0.8° | 0.0° |
| C28 | C27 | C32 | N4 | 178.3° | 179.8° |
| O8 | C7 | C9 | C6 | 177.2° | 179.9° |
| O8 | C7 | C6 | C27 | 10.6° | 5.4° |
| O8 | C7 | C9 | C26 | 29.6° | 150.5° |
| O8 | C7 | C9 | C10 | 145.4° | 29.4° |
| O8 | C7 | C6 | C5 | 168.3° | 174.6° |
| C20 | C19 | C18 | H18 | 180.0° | 179.9° |
| C19 | C20 | C21 | H5 | 180.0° | 179.8° |
| C20 | C19 | C18 | C17 | 179.3° | 179.8° |
| C20 | C19 | C18 | C25 | 1.9° | 0.5° |
| C19 | C20 | C21 | C22 | 176.9° | 179.7° |
| C19 | C20 | C21 | C24 | 2.2° | 0.2° |
| C18 | C19 | C20 | C21 | 0.1° | 0.0° |
| C19 | C18 | C17 | C25 | 178.8° | 179.3° |
| C19 | C18 | C17 | C15 | 61.8° | 90.8° |
| C19 | C18 | C25 | C24 | 1.3° | 0.7° |
| C19 | C18 | C17 | H3 | 177.8° | 149.2° |
| C19 | C18 | C17 | H4 | 58.6° | 29.3° |
| C18 | C19 | C20 | H5 | 179.9° | 179.8° |
| C19 | C18 | C25 | H19 | 178.7° | 180.0° |
| C30 | N31 | C32 | C27 | 0.9° | 0.5° |
| C30 | N31 | C32 | N4 | 179.7° | 179.2° |
| C20 | C21 | C22 | C24 | 179.2° | 180.0° |
| C20 | C21 | C22 | N23 | 157.9° | 137.3° |
| C20 | C21 | C24 | C25 | 2.7° | 0.0° |
| C20 | C21 | C24 | H6 | 177.3° | 180.0° |
| C21 | C20 | C19 | H18 | 179.9° | 180.0° |
| C9 | C7 | C6 | C27 | 172.3° | 174.7° |
| C7 | C9 | C26 | C10 | 175.1° | 179.9° |
| C7 | C9 | C26 | C13 | 179.7° | 179.4° |
| C9 | C7 | C6 | C5 | 8.8° | 5.3° |
| C7 | C9 | C10 | N11 | 179.6° | 180.0° |
| C7 | C9 | C10 | H2 | 0.4° | 0.4° |
| C7 | C9 | C26 | H7 | 0.3° | 0.1° |
| C7 | C6 | C27 | C5 | 179.1° | 180.0° |
| C7 | C6 | C27 | C32 | 176.7° | 179.7° |
| C6 | C7 | C9 | C26 | 147.6° | 29.6° |
| C6 | C7 | C9 | C10 | 37.4° | 150.6° |
| C7 | C6 | C5 | N4 | 173.8° | 180.0° |
| C7 | C6 | C5 | H1 | 6.2° | 0.3° |
| C6 | C27 | C32 | N31 | 177.9° | 179.8° |
| C6 | C27 | C32 | N4 | 1.2° | 0.4° |
| C27 | C6 | C5 | N4 | 5.3° | 0.0° |
| C27 | C6 | C5 | H1 | 174.7° | 179.7° |
| C6 | C27 | C28 | H8 | 2.1° | 0.0° |
| C32 | C27 | C6 | C5 | 2.4° | 0.2° |
| C27 | C32 | N31 | N4 | 178.8° | 179.8° |
| C27 | C32 | N4 | C5 | 4.6° | 0.4° |
| C27 | C32 | N4 | C2 | 179.0° | 179.6° |
| C32 | C27 | C28 | H8 | 178.2° | 179.7° |
| C9 | C26 | C13 | H7 | 180.0° | 179.5° |
| C9 | C26 | C13 | N14 | 177.5° | 179.8° |
| C9 | C26 | C13 | C12 | 4.3° | 0.8° |
| C26 | C9 | C10 | N11 | 4.3° | 0.1° |
| C26 | C9 | C10 | H2 | 175.8° | 179.8° |
| C13 | C26 | C9 | C10 | 5.2° | 0.5° |
| C26 | C13 | N14 | C12 | 178.3° | 179.4° |
| C26 | C13 | N14 | C15 | 39.9° | 31.8° |
| C26 | C13 | C12 | N11 | 2.0° | 0.6° |
| C26 | C13 | C12 | H16 | 178.0° | 180.0° |
| C26 | C13 | N14 | H17 | 140.1° | 148.2° |
| C9 | C10 | N11 | H2 | 180.0° | 179.7° |
| C9 | C10 | N11 | C12 | 2.0° | 0.4° |
| C10 | C9 | C26 | H7 | 174.8° | 180.0° |
| C18 | C17 | C15 | H3 | 120.4° | 119.9° |
| C18 | C17 | C15 | H4 | 120.4° | 120.0° |
| C18 | C17 | C15 | N14 | 176.2° | 180.0° |
| C18 | C17 | C15 | O16 | 2.2° | 0.0° |
| C17 | C18 | C25 | C24 | 179.9° | 180.0° |
| C18 | C17 | H3 | H4 | 118.7° | 119.9° |
| C17 | C18 | C19 | H18 | 0.6° | 0.3° |
| C17 | C18 | C25 | H19 | 0.1° | 0.7° |
| C17 | C15 | N14 | C13 | 179.0° | 174.9° |
| C17 | C15 | N14 | O16 | 178.4° | 180.0° |
| C15 | C17 | C18 | C25 | 119.4° | 90.0° |
| C15 | C17 | H3 | H4 | 118.7° | 120.1° |
| C17 | C15 | N14 | H17 | 1.0° | 5.1° |
| C13 | N14 | C15 | H17 | 180.0° | 180.0° |
| C13 | N14 | C15 | O16 | 0.6° | 5.1° |
| N14 | C13 | C12 | N11 | 179.6° | 180.0° |
| N14 | C13 | C26 | H7 | 2.5° | 0.3° |
| N14 | C13 | C12 | H16 | 0.4° | 0.6° |
| C15 | N14 | C13 | C12 | 141.8° | 148.8° |
| N14 | C15 | C17 | H3 | 63.4° | 60.1° |
| N14 | C15 | C17 | H4 | 55.7° | 60.0° |
| C6 | C5 | N4 | C32 | 6.5° | 0.3° |
| C6 | C5 | N4 | H1 | 180.0° | 179.7° |
| C6 | C5 | N4 | C2 | 177.6° | 179.7° |
| C18 | C25 | C24 | C21 | 1.0° | 0.4° |
| C18 | C25 | C24 | H19 | 180.0° | 179.3° |
| C25 | C18 | C17 | H3 | 1.0° | 30.0° |
| C25 | C18 | C17 | H4 | 120.2° | 150.0° |
| C18 | C25 | C24 | H6 | 179.0° | 179.5° |
| C25 | C18 | C19 | H18 | 178.1° | 179.5° |
| C13 | C12 | N11 | C10 | 0.8° | 0.0° |
| C13 | C12 | N11 | H16 | 180.0° | 179.5° |
| C12 | C13 | C26 | H7 | 175.7° | 179.7° |
| C12 | C13 | N14 | H17 | 38.3° | 31.2° |
| O16 | C15 | C17 | H3 | 118.2° | 119.9° |
| O16 | C15 | C17 | H4 | 122.6° | 120.0° |
| O16 | C15 | N14 | H17 | 179.4° | 174.9° |
| C22 | C21 | C24 | C25 | 176.4° | 179.9° |
| C22 | C21 | C20 | H5 | 3.1° | 0.1° |
| C22 | C21 | C24 | H6 | 3.6° | 0.0° |
| C24 | C21 | C22 | N23 | 23.0° | 42.7° |
| C21 | C24 | C25 | H6 | 180.0° | 180.0° |
| C24 | C21 | C20 | H5 | 177.8° | 180.0° |
| C21 | C24 | C25 | H19 | 179.0° | 179.8° |
| N31 | C32 | N4 | C5 | 174.3° | 179.8° |
| N31 | C32 | N4 | C2 | 2.1° | 0.2° |
| C32 | N31 | C30 | H20 | 178.3° | 179.7° |
| C10 | N11 | C12 | H16 | 179.2° | 179.4° |
| C32 | N4 | C5 | C2 | 175.9° | 180.0° |
| C32 | N4 | C2 | C3 | 106.8° | 120.0° |
| C32 | N4 | C2 | C1 | 118.3° | 120.0° |
| C32 | N4 | C5 | H1 | 173.5° | 179.9° |
| C32 | N4 | C2 | H12 | 6.7° | 0.1° |
| C12 | N11 | C10 | H2 | 178.0° | 180.0° |
| C5 | N4 | C2 | C3 | 68.8° | 60.0° |
| C5 | N4 | C2 | C1 | 66.0° | 60.0° |
| C5 | N4 | C2 | H12 | 177.7° | 180.0° |
| N4 | C2 | C3 | C1 | 132.2° | 120.0° |
| N4 | C2 | C3 | H12 | 113.8° | 120.0° |
| N4 | C2 | C1 | H12 | 111.7° | 120.0° |
| C2 | N4 | C5 | H1 | 2.4° | 0.0° |
| N4 | C2 | C1 | H9 | 180.0° | 180.0° |
| N4 | C2 | C1 | H10 | 60.0° | 60.0° |
| N4 | C2 | C1 | H11 | 60.0° | 60.0° |
| N4 | C2 | C3 | H13 | 180.0° | 60.0° |
| N4 | C2 | C3 | H14 | 60.0° | 60.0° |
| N4 | C2 | C3 | H15 | 60.0° | 180.0° |
| C3 | C2 | C1 | H12 | 113.9° | 120.0° |
| C3 | C2 | C1 | H9 | 45.5° | 60.1° |
| C3 | C2 | C1 | H10 | 165.6° | 180.0° |
| C3 | C2 | C1 | H11 | 74.4° | 60.0° |
| C2 | C3 | H13 | H14 | 120.0° | 120.0° |
| C2 | C3 | H13 | H15 | 120.0° | 120.0° |
| C2 | C3 | H14 | H15 | 120.0° | 120.0° |
| C2 | C1 | H9 | H10 | 120.0° | 120.0° |
| C2 | C1 | H9 | H11 | 120.0° | 120.0° |
| C2 | C1 | H10 | H11 | 120.0° | 120.0° |
| C1 | C2 | C3 | H13 | 47.9° | 60.0° |
| C1 | C2 | C3 | H14 | 72.2° | 180.0° |
| C1 | C2 | C3 | H15 | 167.9° | 60.0° |
| H5 | C20 | C19 | H18 | 0.1° | 0.2° |
| H6 | C24 | C25 | H19 | 1.0° | 0.2° |
| H9 | C1 | H10 | H11 | 120.0° | 120.0° |
| H9 | C1 | C2 | H12 | 68.3° | 60.0° |
| H10 | C1 | C2 | H12 | 51.7° | 60.0° |
| H11 | C1 | C2 | H12 | 171.7° | 180.0° |
| H12 | C2 | C3 | H13 | 66.2° | 179.9° |
| H12 | C2 | C3 | H14 | 173.8° | 59.9° |
| H12 | C2 | C3 | H15 | 53.8° | 60.0° |
| H13 | C3 | H14 | H15 | 119.9° | 120.0° |
