8F0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | N10 | sing | 1.47Å | 1.47Å | |
| C06 | C01 | doub | 1.38Å | 1.54Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.54Å | Aromatic |
| N10 | C05 | sing | 1.41Å | 1.46Å | |
| N10 | C09 | sing | 1.35Å | 1.44Å | |
| C01 | C02 | sing | 1.39Å | 1.55Å | Aromatic |
| O12 | C09 | doub | 1.21Å | 1.19Å | |
| C05 | C04 | doub | 1.40Å | 1.52Å | Aromatic |
| C09 | C08 | sing | 1.51Å | 1.52Å | |
| C08 | C13 | sing | 1.53Å | 1.55Å | |
| C08 | N07 | sing | 1.47Å | 1.44Å | |
| C02 | N15 | sing | 1.40Å | 1.46Å | |
| C02 | C03 | doub | 1.39Å | 1.54Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.53Å | Aromatic |
| C04 | N07 | sing | 1.40Å | 1.46Å | |
| N15 | C16 | sing | 1.46Å | 1.46Å | |
| N07 | C14 | sing | 1.47Å | 1.46Å | |
| C16 | C20 | sing | 1.53Å | 1.52Å | |
| C16 | C19 | sing | 1.51Å | 1.53Å | |
| C14 | C17 | sing | 1.53Å | 1.52Å | |
| C14 | C18 | sing | 1.53Å | 1.52Å | |
| C21 | C19 | doub | 1.38Å | 1.53Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.52Å | Aromatic |
| C19 | C25 | sing | 1.38Å | 1.53Å | Aromatic |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C22 | C23 | doub | 1.38Å | 1.53Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.53Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.53Å | Aromatic |
| C23 | C26 | sing | 1.51Å | 1.53Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.08Å | 1.08Å | |
| C22 | H10 | sing | 1.08Å | 1.08Å | |
| C24 | H11 | sing | 1.08Å | 1.08Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C01 | H15 | sing | 1.08Å | 1.08Å | |
| C03 | H16 | sing | 1.08Å | 1.08Å | |
| C06 | H17 | sing | 1.08Å | 1.08Å | |
| C08 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.08Å | 1.08Å | |
| N15 | H27 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | N10 | C05 | 119.5° | 120.7° |
| C11 | N10 | C09 | 120.4° | 120.7° |
| N10 | C11 | H19 | 109.5° | 109.4° |
| N10 | C11 | H20 | 109.5° | 109.5° |
| N10 | C11 | H21 | 109.5° | 109.4° |
| C01 | C06 | C05 | 118.6° | 120.0° |
| C06 | C01 | C02 | 119.5° | 120.1° |
| C06 | C01 | H15 | 120.2° | 120.0° |
| C01 | C06 | H17 | 120.7° | 120.0° |
| C06 | C05 | N10 | 122.8° | 120.4° |
| C06 | C05 | C04 | 121.5° | 120.2° |
| C05 | C06 | H17 | 120.7° | 120.0° |
| C05 | N10 | C09 | 119.8° | 118.6° |
| N10 | C05 | C04 | 115.2° | 119.4° |
| N10 | C09 | O12 | 121.8° | 120.3° |
| N10 | C09 | C08 | 112.6° | 119.4° |
| C01 | C02 | N15 | 120.4° | 119.9° |
| C01 | C02 | C03 | 120.9° | 120.1° |
| C02 | C01 | H15 | 120.3° | 119.9° |
| O12 | C09 | C08 | 125.6° | 120.3° |
| C05 | C04 | C03 | 120.5° | 119.7° |
| C05 | C04 | N07 | 117.4° | 120.2° |
| C09 | C08 | C13 | 110.0° | 109.4° |
| C09 | C08 | N07 | 109.3° | 110.1° |
| C09 | C08 | H18 | 107.4° | 109.3° |
| C13 | C08 | N07 | 114.2° | 109.4° |
| C08 | C13 | H1 | 109.5° | 109.5° |
| C08 | C13 | H2 | 109.4° | 109.5° |
| C08 | C13 | H3 | 109.5° | 109.5° |
| C13 | C08 | H18 | 107.1° | 109.3° |
| C08 | N07 | C04 | 108.2° | 112.0° |
| C08 | N07 | C14 | 121.7° | 111.0° |
| N07 | C08 | H18 | 108.5° | 109.4° |
| N15 | C02 | C03 | 118.7° | 120.0° |
| C02 | N15 | C16 | 116.4° | 120.0° |
| C02 | N15 | H27 | 107.7° | 119.9° |
| C02 | C03 | C04 | 118.8° | 119.9° |
| C02 | C03 | H16 | 120.6° | 120.0° |
| C03 | C04 | N07 | 122.0° | 120.1° |
| C04 | C03 | H16 | 120.6° | 120.0° |
| C04 | N07 | C14 | 115.5° | 111.0° |
| N15 | C16 | C20 | 108.9° | 109.5° |
| N15 | C16 | C19 | 114.1° | 109.4° |
| N15 | C16 | H23 | 109.2° | 109.5° |
| C16 | N15 | H27 | 107.7° | 120.1° |
| N07 | C14 | C17 | 124.7° | 117.5° |
| N07 | C14 | C18 | 128.7° | 117.5° |
| N07 | C14 | H22 | 112.0° | 115.6° |
| C20 | C16 | C19 | 108.0° | 109.4° |
| C16 | C20 | H6 | 109.5° | 109.5° |
| C16 | C20 | H7 | 109.5° | 109.5° |
| C16 | C20 | H8 | 109.5° | 109.5° |
| C20 | C16 | H23 | 108.3° | 109.5° |
| C16 | C19 | C21 | 120.4° | 120.0° |
| C16 | C19 | C25 | 118.9° | 120.0° |
| C19 | C16 | H23 | 108.3° | 109.4° |
| C17 | C14 | C18 | 59.9° | 60.0° |
| C14 | C17 | C18 | 60.0° | 60.0° |
| C14 | C17 | H4 | 120.0° | 117.5° |
| C14 | C17 | H5 | 120.0° | 117.5° |
| C17 | C14 | H22 | 110.9° | 117.5° |
| C14 | C18 | C17 | 60.1° | 60.0° |
| C18 | C14 | H22 | 110.9° | 117.5° |
| C14 | C18 | H24 | 120.0° | 117.5° |
| C14 | C18 | H25 | 120.0° | 117.5° |
| C19 | C21 | C22 | 119.0° | 120.0° |
| C21 | C19 | C25 | 120.7° | 120.0° |
| C19 | C21 | H9 | 120.5° | 120.0° |
| C21 | C22 | C23 | 120.3° | 120.0° |
| C22 | C21 | H9 | 120.5° | 120.0° |
| C21 | C22 | H10 | 119.8° | 120.0° |
| C19 | C25 | C24 | 120.5° | 120.0° |
| C19 | C25 | H26 | 119.8° | 120.0° |
| C18 | C17 | H4 | 120.0° | 117.4° |
| C18 | C17 | H5 | 120.0° | 117.5° |
| C17 | C18 | H24 | 120.0° | 117.5° |
| C17 | C18 | H25 | 120.0° | 117.5° |
| C22 | C23 | C24 | 121.1° | 120.0° |
| C22 | C23 | C26 | 118.9° | 120.0° |
| C23 | C22 | H10 | 119.8° | 120.0° |
| C25 | C24 | C23 | 118.4° | 120.0° |
| C25 | C24 | H11 | 120.8° | 120.0° |
| C24 | C25 | H26 | 119.7° | 120.0° |
| C24 | C23 | C26 | 120.0° | 120.0° |
| C23 | C24 | H11 | 120.8° | 120.0° |
| C23 | C26 | H12 | 109.5° | 109.4° |
| C23 | C26 | H13 | 109.4° | 109.4° |
| C23 | C26 | H14 | 109.5° | 109.4° |
| H1 | C13 | H2 | 109.4° | 109.5° |
| H1 | C13 | H3 | 109.5° | 109.5° |
| H2 | C13 | H3 | 109.5° | 109.5° |
| H4 | C17 | H5 | 109.5° | 115.6° |
| H6 | C20 | H7 | 109.5° | 109.4° |
| H6 | C20 | H8 | 109.5° | 109.5° |
| H7 | C20 | H8 | 109.5° | 109.5° |
| H12 | C26 | H13 | 109.5° | 109.5° |
| H12 | C26 | H14 | 109.4° | 109.5° |
| H13 | C26 | H14 | 109.5° | 109.5° |
| H19 | C11 | H20 | 109.5° | 109.5° |
| H19 | C11 | H21 | 109.5° | 109.5° |
| H20 | C11 | H21 | 109.5° | 109.5° |
| H24 | C18 | H25 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | N10 | C05 | C06 | 22.4° | 18.4° |
| C11 | N10 | C05 | C09 | 173.1° | 179.9° |
| C11 | N10 | C09 | O12 | 1.9° | 0.9° |
| C11 | N10 | C05 | C04 | 149.4° | 162.1° |
| C11 | N10 | C09 | C08 | 178.5° | 179.2° |
| N10 | C11 | H19 | H20 | 120.0° | 120.0° |
| N10 | C11 | H19 | H21 | 120.0° | 119.9° |
| N10 | C11 | H20 | H21 | 120.0° | 120.0° |
| C01 | C06 | C05 | H17 | 180.0° | 179.6° |
| C01 | C06 | C05 | N10 | 175.5° | 179.9° |
| C06 | C01 | C02 | H15 | 180.0° | 179.7° |
| C01 | C06 | C05 | C04 | 4.2° | 0.3° |
| C06 | C01 | C02 | N15 | 178.9° | 179.7° |
| C06 | C01 | C02 | C03 | 0.2° | 0.4° |
| C06 | C05 | N10 | C04 | 171.8° | 179.6° |
| C06 | C05 | N10 | C09 | 164.6° | 161.6° |
| C05 | C06 | C01 | C02 | 2.1° | 0.5° |
| C06 | C05 | C04 | C03 | 4.3° | 0.1° |
| C06 | C05 | C04 | N07 | 178.8° | 179.9° |
| C05 | C06 | C01 | H15 | 177.9° | 179.8° |
| C05 | N10 | C09 | O12 | 174.8° | 179.2° |
| C05 | N10 | C09 | C08 | 5.5° | 0.7° |
| N10 | C05 | C04 | C03 | 176.2° | 179.6° |
| N10 | C05 | C04 | N07 | 6.9° | 0.5° |
| N10 | C05 | C06 | H17 | 4.5° | 0.5° |
| C05 | N10 | C11 | H19 | 180.0° | 90.0° |
| C05 | N10 | C11 | H20 | 60.0° | 150.0° |
| C05 | N10 | C11 | H21 | 60.0° | 29.9° |
| N10 | C09 | O12 | C08 | 179.6° | 179.9° |
| C09 | N10 | C05 | C04 | 23.6° | 18.0° |
| N10 | C09 | C08 | C13 | 179.2° | 85.3° |
| N10 | C09 | C08 | N07 | 53.0° | 34.9° |
| N10 | C09 | C08 | H18 | 64.5° | 155.0° |
| C09 | N10 | C11 | H19 | 7.0° | 90.1° |
| C09 | N10 | C11 | H20 | 113.0° | 30.0° |
| C09 | N10 | C11 | H21 | 127.0° | 150.0° |
| C01 | C02 | N15 | C03 | 179.1° | 179.9° |
| C01 | C02 | C03 | C04 | 0.2° | 0.1° |
| C01 | C02 | N15 | C16 | 162.0° | 0.1° |
| C01 | C02 | C03 | H16 | 179.8° | 179.9° |
| C02 | C01 | C06 | H17 | 177.9° | 179.9° |
| C01 | C02 | N15 | H27 | 77.0° | 180.0° |
| O12 | C09 | C08 | C13 | 1.2° | 94.7° |
| O12 | C09 | C08 | N07 | 127.4° | 145.1° |
| O12 | C09 | C08 | H18 | 115.1° | 24.9° |
| C05 | C04 | N07 | C08 | 38.5° | 35.9° |
| C05 | C04 | C03 | C02 | 2.3° | 0.1° |
| C05 | C04 | C03 | N07 | 176.8° | 179.9° |
| C05 | C04 | N07 | C14 | 178.9° | 88.8° |
| C05 | C04 | C03 | H16 | 177.8° | 179.9° |
| C04 | C05 | C06 | H17 | 175.8° | 179.9° |
| C09 | C08 | C13 | N07 | 123.4° | 120.6° |
| C09 | C08 | C13 | H18 | 116.5° | 119.6° |
| C09 | C08 | N07 | H18 | 116.9° | 120.1° |
| C09 | C08 | N07 | C04 | 68.7° | 50.7° |
| C09 | C08 | N07 | C14 | 153.9° | 74.0° |
| C09 | C08 | C13 | H1 | 180.0° | 60.6° |
| C09 | C08 | C13 | H2 | 60.0° | 59.4° |
| C09 | C08 | C13 | H3 | 60.0° | 179.4° |
| C13 | C08 | N07 | H18 | 119.4° | 119.8° |
| C13 | C08 | N07 | C04 | 167.6° | 69.4° |
| C13 | C08 | N07 | C14 | 30.2° | 165.9° |
| C08 | C13 | H1 | H2 | 120.0° | 120.0° |
| C08 | C13 | H1 | H3 | 120.0° | 120.0° |
| C08 | C13 | H2 | H3 | 120.0° | 120.0° |
| C08 | N07 | C04 | C03 | 138.4° | 144.2° |
| C08 | N07 | C04 | C14 | 140.4° | 124.7° |
| C08 | N07 | C14 | C17 | 83.4° | 168.8° |
| C08 | N07 | C14 | C18 | 160.2° | 122.6° |
| N07 | C08 | C13 | H1 | 56.6° | 60.0° |
| N07 | C08 | C13 | H2 | 63.3° | 180.0° |
| N07 | C08 | C13 | H3 | 176.6° | 60.0° |
| C08 | N07 | C14 | H22 | 55.1° | 23.0° |
| N15 | C02 | C03 | C04 | 178.8° | 180.0° |
| C02 | N15 | C16 | H27 | 121.0° | 179.9° |
| C02 | N15 | C16 | C20 | 179.9° | 85.0° |
| C02 | N15 | C16 | C19 | 59.4° | 155.1° |
| N15 | C02 | C01 | H15 | 1.1° | 0.0° |
| N15 | C02 | C03 | H16 | 1.1° | 0.0° |
| C02 | N15 | C16 | H23 | 61.8° | 35.1° |
| C02 | C03 | C04 | H16 | 180.0° | 180.0° |
| C02 | C03 | C04 | N07 | 179.0° | 179.8° |
| C03 | C02 | N15 | C16 | 17.1° | 180.0° |
| C03 | C02 | C01 | H15 | 179.8° | 179.9° |
| C03 | C02 | N15 | H27 | 103.9° | 0.1° |
| C03 | C04 | N07 | C14 | 2.0° | 91.1° |
| C04 | N07 | C14 | C17 | 142.0° | 66.0° |
| C04 | N07 | C14 | C18 | 65.2° | 2.6° |
| N07 | C04 | C03 | H16 | 1.0° | 0.2° |
| C04 | N07 | C08 | H18 | 48.2° | 170.8° |
| C04 | N07 | C14 | H22 | 79.5° | 148.3° |
| N15 | C16 | C20 | C19 | 124.4° | 120.0° |
| N15 | C16 | C20 | H23 | 118.6° | 120.1° |
| N15 | C16 | C19 | H23 | 121.8° | 120.0° |
| N15 | C16 | C19 | C21 | 23.8° | 140.0° |
| N15 | C16 | C19 | C25 | 155.6° | 40.0° |
| N15 | C16 | C20 | H6 | 180.0° | 60.0° |
| N15 | C16 | C20 | H7 | 60.0° | 59.9° |
| N15 | C16 | C20 | H8 | 60.0° | 180.0° |
| N07 | C14 | C17 | C18 | 118.4° | 107.5° |
| N07 | C14 | C17 | H22 | 138.8° | 145.1° |
| N07 | C14 | C18 | H22 | 145.0° | 145.0° |
| N07 | C14 | C17 | H4 | 9.0° | 0.0° |
| N07 | C14 | C17 | H5 | 132.1° | 145.0° |
| C14 | N07 | C08 | H18 | 89.2° | 46.1° |
| N07 | C14 | C18 | H24 | 138.2° | 0.0° |
| N07 | C14 | C18 | H25 | 2.8° | 145.0° |
| C20 | C16 | C19 | H23 | 117.0° | 120.0° |
| C20 | C16 | C19 | C21 | 97.4° | 100.0° |
| C20 | C16 | C19 | C25 | 83.2° | 80.1° |
| C16 | C20 | H6 | H7 | 120.0° | 120.0° |
| C16 | C20 | H6 | H8 | 120.0° | 120.0° |
| C16 | C20 | H7 | H8 | 120.0° | 120.1° |
| C20 | C16 | N15 | H27 | 58.9° | 94.9° |
| C16 | C19 | C21 | C25 | 179.4° | 179.9° |
| C16 | C19 | C21 | C22 | 179.9° | 180.0° |
| C16 | C19 | C25 | C24 | 179.6° | 180.0° |
| C19 | C16 | C20 | H6 | 55.6° | 180.0° |
| C19 | C16 | C20 | H7 | 175.6° | 60.0° |
| C19 | C16 | C20 | H8 | 64.4° | 60.0° |
| C16 | C19 | C21 | H9 | 0.1° | 0.3° |
| C16 | C19 | C25 | H26 | 0.4° | 0.0° |
| C19 | C16 | N15 | H27 | 179.6° | 25.1° |
| C17 | C14 | C18 | H22 | 102.7° | 107.5° |
| C14 | C17 | C18 | H4 | 109.5° | 107.5° |
| C14 | C17 | C18 | H5 | 109.5° | 107.5° |
| C14 | C17 | H4 | H5 | 144.7° | 145.7° |
| C17 | C14 | C18 | H24 | 109.5° | 107.5° |
| C17 | C14 | C18 | H25 | 109.5° | 107.5° |
| C14 | C18 | H24 | H25 | 144.7° | 145.7° |
| C19 | C21 | C22 | H9 | 180.0° | 179.7° |
| C19 | C21 | C22 | C23 | 0.2° | 0.0° |
| C21 | C19 | C25 | C24 | 1.0° | 0.1° |
| C19 | C21 | C22 | H10 | 179.8° | 180.0° |
| C21 | C19 | C16 | H23 | 145.6° | 20.0° |
| C21 | C19 | C25 | H26 | 179.0° | 180.0° |
| C22 | C21 | C19 | C25 | 0.7° | 0.1° |
| C21 | C22 | C23 | H10 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.1° | 0.0° |
| C21 | C22 | C23 | C26 | 179.5° | 179.9° |
| C19 | C25 | C24 | H26 | 180.0° | 180.0° |
| C19 | C25 | C24 | C23 | 0.7° | 0.0° |
| C25 | C19 | C21 | H9 | 179.3° | 179.8° |
| C19 | C25 | C24 | H11 | 179.3° | 180.0° |
| C25 | C19 | C16 | H23 | 33.8° | 159.9° |
| C18 | C17 | H4 | H5 | 144.7° | 145.7° |
| C17 | C18 | H24 | H25 | 144.7° | 145.7° |
| C22 | C23 | C24 | C25 | 0.1° | 0.0° |
| C22 | C23 | C24 | C26 | 179.4° | 179.9° |
| C23 | C22 | C21 | H9 | 179.8° | 179.7° |
| C22 | C23 | C24 | H11 | 179.9° | 179.9° |
| C22 | C23 | C26 | H12 | 89.7° | 90.0° |
| C22 | C23 | C26 | H13 | 150.3° | 150.0° |
| C22 | C23 | C26 | H14 | 30.3° | 30.0° |
| C25 | C24 | C23 | H11 | 180.0° | 179.9° |
| C25 | C24 | C23 | C26 | 179.3° | 179.9° |
| C24 | C23 | C22 | H10 | 179.9° | 179.9° |
| C24 | C23 | C26 | H12 | 89.7° | 90.1° |
| C24 | C23 | C26 | H13 | 30.3° | 29.9° |
| C24 | C23 | C26 | H14 | 150.3° | 149.9° |
| C23 | C24 | C25 | H26 | 179.3° | 180.0° |
| C26 | C23 | C22 | H10 | 0.5° | 0.1° |
| C26 | C23 | C24 | H11 | 0.7° | 0.0° |
| C23 | C26 | H12 | H13 | 120.0° | 120.0° |
| C23 | C26 | H12 | H14 | 120.0° | 119.9° |
| C23 | C26 | H13 | H14 | 120.0° | 120.0° |
| H1 | C13 | H2 | H3 | 120.0° | 120.0° |
| H1 | C13 | C08 | H18 | 63.5° | 179.8° |
| H2 | C13 | C08 | H18 | 176.5° | 60.2° |
| H3 | C13 | C08 | H18 | 56.5° | 59.8° |
| H4 | C17 | C14 | H22 | 147.8° | 145.1° |
| H4 | C17 | C18 | H24 | 141.0° | 0.0° |
| H4 | C17 | C18 | H25 | 0.0° | 145.1° |
| H5 | C17 | C14 | H22 | 6.7° | 0.1° |
| H5 | C17 | C18 | H24 | 0.0° | 145.0° |
| H5 | C17 | C18 | H25 | 141.0° | 0.1° |
| H6 | C20 | H7 | H8 | 120.0° | 119.9° |
| H6 | C20 | C16 | H23 | 61.4° | 60.1° |
| H7 | C20 | C16 | H23 | 58.6° | 180.0° |
| H8 | C20 | C16 | H23 | 178.6° | 59.9° |
| H9 | C21 | C22 | H10 | 0.2° | 0.3° |
| H11 | C24 | C25 | H26 | 0.7° | 0.1° |
| H12 | C26 | H13 | H14 | 120.0° | 120.1° |
| H15 | C01 | C06 | H17 | 2.1° | 0.2° |
| H19 | C11 | H20 | H21 | 120.0° | 120.0° |
| H22 | C14 | C18 | H24 | 6.8° | 145.0° |
| H22 | C14 | C18 | H25 | 147.8° | 0.0° |
| H23 | C16 | N15 | H27 | 59.2° | 145.0° |
