8DK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C32 | C28 | sing | 1.51Å | 1.51Å | |
| C31 | C30 | sing | 1.51Å | 1.48Å | |
| C28 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C25 | doub | 1.39Å | 1.40Å | Aromatic |
| C26 | C25 | sing | 1.39Å | 1.40Å | Aromatic |
| C25 | N09 | sing | 1.40Å | 1.54Å | |
| N09 | N08 | sing | 1.40Å | 1.43Å | Aromatic |
| N09 | C02 | sing | 1.36Å | 1.45Å | Aromatic |
| N08 | N07 | doub | 1.29Å | 1.29Å | Aromatic |
| C02 | N04 | sing | 1.34Å | 1.39Å | |
| C02 | C01 | doub | 1.40Å | 1.48Å | Aromatic |
| N04 | C06 | doub | 1.30Å | 1.34Å | |
| N07 | C01 | sing | 1.34Å | 1.44Å | Aromatic |
| C06 | N05 | sing | 1.36Å | 1.42Å | |
| C01 | C03 | sing | 1.46Å | 1.42Å | |
| C03 | N05 | sing | 1.35Å | 1.40Å | |
| C03 | O24 | doub | 1.22Å | 1.35Å | |
| N05 | C22 | sing | 1.47Å | 1.65Å | |
| C22 | C21 | sing | 1.51Å | 1.51Å | |
| C21 | O23 | doub | 1.21Å | 1.22Å | |
| C21 | N20 | sing | 1.35Å | 1.42Å | |
| N20 | C19 | sing | 1.46Å | 1.49Å | |
| C19 | C11 | sing | 1.51Å | 1.50Å | |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C12 | sing | 1.38Å | 1.41Å | Aromatic |
| C11 | C13 | sing | 1.38Å | 1.42Å | Aromatic |
| C12 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C13 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.42Å | Aromatic |
| C14 | O16 | sing | 1.36Å | 1.38Å | |
| C15 | O18 | sing | 1.37Å | 1.39Å | |
| O16 | C17 | sing | 1.44Å | 1.43Å | |
| O18 | C17 | sing | 1.44Å | 1.46Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.08Å | 1.08Å | |
| C06 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C27 | H12 | sing | 1.08Å | 1.08Å | |
| C29 | H13 | sing | 1.08Å | 1.08Å | |
| C31 | H14 | sing | 1.09Å | 1.10Å | |
| C31 | H15 | sing | 1.09Å | 1.10Å | |
| C31 | H16 | sing | 1.09Å | 1.10Å | |
| C32 | H17 | sing | 1.09Å | 1.10Å | |
| C32 | H18 | sing | 1.09Å | 1.10Å | |
| C32 | H19 | sing | 1.09Å | 1.10Å | |
| N20 | H20 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C32 | C28 | C30 | 122.0° | 119.9° |
| C32 | C28 | C27 | 120.5° | 119.9° |
| C28 | C32 | H17 | 109.5° | 109.5° |
| C28 | C32 | H18 | 109.5° | 109.4° |
| C28 | C32 | H19 | 109.4° | 109.5° |
| C31 | C30 | C28 | 119.2° | 120.0° |
| C31 | C30 | C29 | 120.3° | 120.0° |
| C30 | C31 | H14 | 109.5° | 109.5° |
| C30 | C31 | H15 | 109.4° | 109.5° |
| C30 | C31 | H16 | 109.5° | 109.5° |
| C30 | C28 | C27 | 117.5° | 120.2° |
| C28 | C30 | C29 | 120.5° | 120.0° |
| C28 | C27 | C26 | 121.6° | 120.1° |
| C28 | C27 | H12 | 119.2° | 120.0° |
| C30 | C29 | C25 | 122.0° | 119.9° |
| C30 | C29 | H13 | 119.0° | 120.0° |
| C27 | C26 | C25 | 121.0° | 120.0° |
| C27 | C26 | H7 | 119.5° | 120.1° |
| C26 | C27 | H12 | 119.2° | 120.0° |
| C29 | C25 | C26 | 117.4° | 119.8° |
| C29 | C25 | N09 | 122.0° | 120.1° |
| C25 | C29 | H13 | 119.0° | 120.1° |
| C26 | C25 | N09 | 120.6° | 120.1° |
| C25 | C26 | H7 | 119.5° | 120.0° |
| C25 | N09 | N08 | 123.4° | 126.7° |
| C25 | N09 | C02 | 132.3° | 126.7° |
| N08 | N09 | C02 | 104.3° | 106.6° |
| N09 | N08 | N07 | 114.3° | 109.2° |
| N09 | C02 | N04 | 134.5° | 134.4° |
| N09 | C02 | C01 | 106.5° | 106.1° |
| N08 | N07 | C01 | 108.7° | 110.0° |
| N04 | C02 | C01 | 119.0° | 119.5° |
| C02 | N04 | C06 | 116.6° | 121.9° |
| C02 | C01 | N07 | 106.1° | 108.1° |
| C02 | C01 | C03 | 120.3° | 117.9° |
| N04 | C06 | N05 | 129.1° | 122.9° |
| N04 | C06 | H8 | 115.5° | 118.6° |
| N07 | C01 | C03 | 133.5° | 134.1° |
| C06 | N05 | C03 | 114.9° | 120.4° |
| C06 | N05 | C22 | 119.7° | 119.8° |
| N05 | C06 | H8 | 115.4° | 118.6° |
| C01 | C03 | N05 | 120.1° | 117.5° |
| C01 | C03 | O24 | 124.9° | 121.2° |
| N05 | C03 | O24 | 115.1° | 121.2° |
| C03 | N05 | C22 | 125.4° | 119.8° |
| N05 | C22 | C21 | 114.2° | 109.4° |
| N05 | C22 | H5 | 108.3° | 109.5° |
| N05 | C22 | H6 | 108.3° | 109.5° |
| C22 | C21 | O23 | 124.1° | 120.0° |
| C22 | C21 | N20 | 118.1° | 120.0° |
| C21 | C22 | H5 | 108.3° | 109.5° |
| C21 | C22 | H6 | 108.3° | 109.4° |
| O23 | C21 | N20 | 117.7° | 120.0° |
| C21 | N20 | C19 | 119.0° | 120.0° |
| C21 | N20 | H20 | 120.5° | 120.0° |
| N20 | C19 | C11 | 112.8° | 109.5° |
| N20 | C19 | H10 | 108.6° | 109.5° |
| N20 | C19 | H11 | 108.7° | 109.5° |
| C19 | N20 | H20 | 120.5° | 120.0° |
| C19 | C11 | C10 | 120.7° | 119.9° |
| C19 | C11 | C13 | 117.6° | 119.9° |
| C11 | C19 | H10 | 108.6° | 109.5° |
| C11 | C19 | H11 | 108.6° | 109.5° |
| C11 | C10 | C12 | 122.0° | 120.2° |
| C10 | C11 | C13 | 121.7° | 120.1° |
| C11 | C10 | H1 | 119.0° | 119.9° |
| C10 | C12 | C14 | 116.3° | 120.0° |
| C12 | C10 | H1 | 119.0° | 119.9° |
| C10 | C12 | H9 | 121.9° | 120.0° |
| C11 | C13 | C15 | 116.3° | 120.0° |
| C11 | C13 | H2 | 121.8° | 120.0° |
| C12 | C14 | C15 | 121.7° | 119.8° |
| C12 | C14 | O16 | 128.6° | 131.5° |
| C14 | C12 | H9 | 121.8° | 120.1° |
| C13 | C15 | C14 | 121.9° | 119.9° |
| C13 | C15 | O18 | 129.4° | 131.5° |
| C15 | C13 | H2 | 121.9° | 120.0° |
| C15 | C14 | O16 | 109.6° | 108.6° |
| C14 | C15 | O18 | 108.7° | 108.6° |
| C14 | O16 | C17 | 106.9° | 105.5° |
| C15 | O18 | C17 | 106.1° | 105.5° |
| O16 | C17 | O18 | 107.5° | 103.7° |
| O16 | C17 | H3 | 109.9° | 110.6° |
| O16 | C17 | H4 | 110.0° | 110.6° |
| O18 | C17 | H3 | 110.0° | 110.6° |
| O18 | C17 | H4 | 109.9° | 110.7° |
| H3 | C17 | H4 | 109.5° | 110.5° |
| H5 | C22 | H6 | 109.4° | 109.5° |
| H10 | C19 | H11 | 109.5° | 109.5° |
| H14 | C31 | H15 | 109.5° | 109.5° |
| H14 | C31 | H16 | 109.4° | 109.4° |
| H15 | C31 | H16 | 109.5° | 109.4° |
| H17 | C32 | H18 | 109.5° | 109.5° |
| H17 | C32 | H19 | 109.5° | 109.5° |
| H18 | C32 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C32 | C28 | C30 | C31 | 0.5° | 0.8° |
| C32 | C28 | C30 | C27 | 178.9° | 179.1° |
| C32 | C28 | C30 | C29 | 179.2° | 180.0° |
| C32 | C28 | C27 | C26 | 179.5° | 179.8° |
| C32 | C28 | C27 | H12 | 0.5° | 0.4° |
| C28 | C32 | H17 | H18 | 120.0° | 119.9° |
| C28 | C32 | H17 | H19 | 120.0° | 120.0° |
| C28 | C32 | H18 | H19 | 120.0° | 120.0° |
| C31 | C30 | C28 | C29 | 179.6° | 179.2° |
| C31 | C30 | C28 | C27 | 179.4° | 180.0° |
| C31 | C30 | C29 | C25 | 179.6° | 179.7° |
| C31 | C30 | C29 | H13 | 0.4° | 0.3° |
| C30 | C31 | H14 | H15 | 120.0° | 120.1° |
| C30 | C31 | H14 | H16 | 120.0° | 120.0° |
| C30 | C31 | H15 | H16 | 120.0° | 120.0° |
| C30 | C28 | C27 | C26 | 0.6° | 0.6° |
| C28 | C30 | C29 | C25 | 0.0° | 0.6° |
| C30 | C28 | C27 | H12 | 179.4° | 179.5° |
| C28 | C30 | C29 | H13 | 180.0° | 179.5° |
| C28 | C30 | C31 | H14 | 90.2° | 90.0° |
| C28 | C30 | C31 | H15 | 149.8° | 149.9° |
| C28 | C30 | C31 | H16 | 29.8° | 30.0° |
| C30 | C28 | C32 | H17 | 89.4° | 90.1° |
| C30 | C28 | C32 | H18 | 150.6° | 150.0° |
| C30 | C28 | C32 | H19 | 30.6° | 30.0° |
| C27 | C28 | C30 | C29 | 0.2° | 0.9° |
| C28 | C27 | C26 | H12 | 180.0° | 179.9° |
| C28 | C27 | C26 | C25 | 0.7° | 0.1° |
| C28 | C27 | C26 | H7 | 179.2° | 179.7° |
| C27 | C28 | C32 | H17 | 89.5° | 90.8° |
| C27 | C28 | C32 | H18 | 30.5° | 29.2° |
| C27 | C28 | C32 | H19 | 150.5° | 149.2° |
| C30 | C29 | C25 | H13 | 180.0° | 180.0° |
| C30 | C29 | C25 | C26 | 0.1° | 0.0° |
| C30 | C29 | C25 | N09 | 180.0° | 180.0° |
| C29 | C30 | C31 | H14 | 90.2° | 90.8° |
| C29 | C30 | C31 | H15 | 29.8° | 29.2° |
| C29 | C30 | C31 | H16 | 149.8° | 149.2° |
| C27 | C26 | C25 | C29 | 0.5° | 0.2° |
| C27 | C26 | C25 | H7 | 180.0° | 179.8° |
| C27 | C26 | C25 | N09 | 179.6° | 179.8° |
| C29 | C25 | C26 | N09 | 179.9° | 180.0° |
| C29 | C25 | N09 | N08 | 16.6° | 35.0° |
| C29 | C25 | N09 | C02 | 161.5° | 144.9° |
| C29 | C25 | C26 | H7 | 179.5° | 180.0° |
| C26 | C25 | N09 | N08 | 163.3° | 145.0° |
| C26 | C25 | N09 | C02 | 18.5° | 35.1° |
| C25 | C26 | C27 | H12 | 179.3° | 180.0° |
| C26 | C25 | C29 | H13 | 179.9° | 180.0° |
| C25 | N09 | N08 | C02 | 178.6° | 179.9° |
| C25 | N09 | N08 | N07 | 179.5° | 180.0° |
| C25 | N09 | C02 | N04 | 1.5° | 0.2° |
| C25 | N09 | C02 | C01 | 178.9° | 179.8° |
| N09 | C25 | C26 | H7 | 0.4° | 0.0° |
| N09 | C25 | C29 | H13 | 0.0° | 0.0° |
| N08 | N09 | C02 | N04 | 179.9° | 179.9° |
| N08 | N09 | C02 | C01 | 0.4° | 0.0° |
| N09 | N08 | N07 | C01 | 1.0° | 0.3° |
| C02 | N09 | N08 | N07 | 0.9° | 0.2° |
| N09 | C02 | N04 | C01 | 179.6° | 180.0° |
| N09 | C02 | N04 | C06 | 179.3° | 180.0° |
| N09 | C02 | C01 | N07 | 0.1° | 0.2° |
| N09 | C02 | C01 | C03 | 179.2° | 180.0° |
| N08 | N07 | C01 | C02 | 0.7° | 0.4° |
| N08 | N07 | C01 | C03 | 179.5° | 179.9° |
| N04 | C02 | C01 | N07 | 179.6° | 179.7° |
| C02 | N04 | C06 | N05 | 0.4° | 0.1° |
| N04 | C02 | C01 | C03 | 0.6° | 0.0° |
| C02 | N04 | C06 | H8 | 179.6° | 180.0° |
| C01 | C02 | N04 | C06 | 0.3° | 0.0° |
| C02 | C01 | N07 | C03 | 178.9° | 179.7° |
| C02 | C01 | C03 | N05 | 0.1° | 0.0° |
| C02 | C01 | C03 | O24 | 179.2° | 179.9° |
| N04 | C06 | N05 | H8 | 180.0° | 179.9° |
| N04 | C06 | N05 | C03 | 0.8° | 0.1° |
| N04 | C06 | N05 | C22 | 179.9° | 179.9° |
| N07 | C01 | C03 | N05 | 178.9° | 179.7° |
| N07 | C01 | C03 | O24 | 0.4° | 0.2° |
| C06 | N05 | C03 | C01 | 0.5° | 0.1° |
| C06 | N05 | C03 | C22 | 179.2° | 180.0° |
| C06 | N05 | C03 | O24 | 179.8° | 179.9° |
| C06 | N05 | C22 | C21 | 114.3° | 90.0° |
| C06 | N05 | C22 | H5 | 6.4° | 150.0° |
| C06 | N05 | C22 | H6 | 125.0° | 30.0° |
| C01 | C03 | N05 | O24 | 179.3° | 179.9° |
| C01 | C03 | N05 | C22 | 179.7° | 179.9° |
| C03 | N05 | C22 | C21 | 66.5° | 90.0° |
| C03 | N05 | C22 | H5 | 172.8° | 30.0° |
| C03 | N05 | C22 | H6 | 54.2° | 150.0° |
| C03 | N05 | C06 | H8 | 179.2° | 180.0° |
| O24 | C03 | N05 | C22 | 1.0° | 0.0° |
| N05 | C22 | C21 | H5 | 120.7° | 120.0° |
| N05 | C22 | C21 | H6 | 120.7° | 120.0° |
| N05 | C22 | C21 | O23 | 106.5° | 0.1° |
| N05 | C22 | C21 | N20 | 74.4° | 179.9° |
| N05 | C22 | H5 | H6 | 117.8° | 120.0° |
| C22 | N05 | C06 | H8 | 0.0° | 0.0° |
| C22 | C21 | O23 | N20 | 179.1° | 179.9° |
| C22 | C21 | N20 | C19 | 178.8° | 180.0° |
| C21 | C22 | H5 | H6 | 117.8° | 120.0° |
| C22 | C21 | N20 | H20 | 1.2° | 0.1° |
| O23 | C21 | N20 | C19 | 0.4° | 0.1° |
| O23 | C21 | C22 | H5 | 14.3° | 119.9° |
| O23 | C21 | C22 | H6 | 132.8° | 120.0° |
| O23 | C21 | N20 | H20 | 179.6° | 180.0° |
| C21 | N20 | C19 | H20 | 180.0° | 179.9° |
| C21 | N20 | C19 | C11 | 165.0° | 179.9° |
| N20 | C21 | C22 | H5 | 164.9° | 60.0° |
| N20 | C21 | C22 | H6 | 46.3° | 60.1° |
| C21 | N20 | C19 | H10 | 74.5° | 59.9° |
| C21 | N20 | C19 | H11 | 44.5° | 60.1° |
| N20 | C19 | C11 | H10 | 120.5° | 120.0° |
| N20 | C19 | C11 | H11 | 120.5° | 120.0° |
| N20 | C19 | C11 | C10 | 42.6° | 90.0° |
| N20 | C19 | C11 | C13 | 136.8° | 90.0° |
| N20 | C19 | H10 | H11 | 118.5° | 120.0° |
| C19 | C11 | C10 | C13 | 179.4° | 180.0° |
| C19 | C11 | C10 | C12 | 179.7° | 180.0° |
| C19 | C11 | C13 | C15 | 179.8° | 180.0° |
| C19 | C11 | C10 | H1 | 0.3° | 0.3° |
| C19 | C11 | C13 | H2 | 0.2° | 0.0° |
| C11 | C19 | H10 | H11 | 118.5° | 120.0° |
| C11 | C19 | N20 | H20 | 15.0° | 0.1° |
| C11 | C10 | C12 | H1 | 180.0° | 179.7° |
| C11 | C10 | C12 | C14 | 0.1° | 0.0° |
| C10 | C11 | C13 | C15 | 0.4° | 0.1° |
| C10 | C11 | C13 | H2 | 179.6° | 180.0° |
| C11 | C10 | C12 | H9 | 179.8° | 179.9° |
| C10 | C11 | C19 | H10 | 77.9° | 150.0° |
| C10 | C11 | C19 | H11 | 163.1° | 30.0° |
| C12 | C10 | C11 | C13 | 0.4° | 0.0° |
| C10 | C12 | C14 | H9 | 180.0° | 179.9° |
| C10 | C12 | C14 | C15 | 0.0° | 0.0° |
| C10 | C12 | C14 | O16 | 179.8° | 179.9° |
| C11 | C13 | C15 | H2 | 180.0° | 179.9° |
| C11 | C13 | C15 | C14 | 0.3° | 0.1° |
| C11 | C13 | C15 | O18 | 180.0° | 180.0° |
| C13 | C11 | C10 | H1 | 179.6° | 179.7° |
| C13 | C11 | C19 | H10 | 102.7° | 30.0° |
| C13 | C11 | C19 | H11 | 16.3° | 150.0° |
| C12 | C14 | C15 | C13 | 0.0° | 0.1° |
| C12 | C14 | C15 | O16 | 179.9° | 179.9° |
| C12 | C14 | C15 | O18 | 179.9° | 180.0° |
| C12 | C14 | O16 | C17 | 173.4° | 162.7° |
| C14 | C12 | C10 | H1 | 179.9° | 179.7° |
| C13 | C15 | C14 | O18 | 179.8° | 179.9° |
| C13 | C15 | C14 | O16 | 179.9° | 180.0° |
| C13 | C15 | O18 | C17 | 173.4° | 162.8° |
| C15 | C14 | O16 | C17 | 6.5° | 17.2° |
| C14 | C15 | O18 | C17 | 6.8° | 17.3° |
| C14 | C15 | C13 | H2 | 179.7° | 180.0° |
| C15 | C14 | C12 | H9 | 180.0° | 180.0° |
| O16 | C14 | C15 | O18 | 0.3° | 0.0° |
| C14 | O16 | C17 | O18 | 10.6° | 27.1° |
| C14 | O16 | C17 | H3 | 130.3° | 145.6° |
| C14 | O16 | C17 | H4 | 109.1° | 91.6° |
| O16 | C14 | C12 | H9 | 0.2° | 0.1° |
| C15 | O18 | C17 | O16 | 10.7° | 27.1° |
| O18 | C15 | C13 | H2 | 0.0° | 0.0° |
| C15 | O18 | C17 | H3 | 130.4° | 145.7° |
| C15 | O18 | C17 | H4 | 109.0° | 91.5° |
| O16 | C17 | O18 | H3 | 119.7° | 118.6° |
| O16 | C17 | O18 | H4 | 119.7° | 118.6° |
| O16 | C17 | H3 | H4 | 120.9° | 122.8° |
| O18 | C17 | H3 | H4 | 120.9° | 122.9° |
| H1 | C10 | C12 | H9 | 0.2° | 0.2° |
| H7 | C26 | C27 | H12 | 0.8° | 0.2° |
| H10 | C19 | N20 | H20 | 105.5° | 120.0° |
| H11 | C19 | N20 | H20 | 135.5° | 120.1° |
| H14 | C31 | H15 | H16 | 120.0° | 120.0° |
| H17 | C32 | H18 | H19 | 120.0° | 120.0° |
