1H5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F7 | C4 | sing | 1.35Å | 1.36Å | |
| F15 | C10 | sing | 1.40Å | 1.38Å | |
| C10 | C11 | sing | 1.54Å | 1.53Å | |
| C10 | C8 | sing | 1.53Å | 1.57Å | |
| F28 | C9 | sing | 1.40Å | 1.39Å | |
| C9 | C8 | sing | 1.53Å | 1.51Å | |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | O12 | sing | 1.43Å | 1.44Å | |
| C3 | C2 | sing | 1.38Å | 1.36Å | Aromatic |
| C8 | C5 | sing | 1.51Å | 1.48Å | |
| C8 | N14 | sing | 1.46Å | 1.45Å | |
| C5 | C6 | doub | 1.38Å | 1.36Å | Aromatic |
| O12 | C13 | sing | 1.35Å | 1.34Å | |
| C2 | C1 | doub | 1.39Å | 1.40Å | Aromatic |
| N14 | C13 | doub | 1.29Å | 1.30Å | |
| C13 | N16 | sing | 1.37Å | 1.36Å | |
| C6 | C1 | sing | 1.39Å | 1.36Å | Aromatic |
| C1 | N17 | sing | 1.40Å | 1.37Å | |
| O20 | C18 | doub | 1.21Å | 1.20Å | |
| N17 | C18 | sing | 1.35Å | 1.34Å | |
| C18 | C19 | sing | 1.48Å | 1.47Å | |
| C19 | C25 | doub | 1.39Å | 1.41Å | Aromatic |
| C19 | N21 | sing | 1.33Å | 1.34Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| N21 | C22 | doub | 1.31Å | 1.33Å | Aromatic |
| C24 | C23 | doub | 1.40Å | 1.45Å | Aromatic |
| C22 | C23 | sing | 1.40Å | 1.41Å | Aromatic |
| C23 | C26 | sing | 1.43Å | 1.44Å | |
| C26 | N27 | trip | 1.14Å | 1.15Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| N16 | H9 | sing | 0.97Å | 1.00Å | |
| N16 | H10 | sing | 0.97Å | 1.00Å | |
| N17 | H11 | sing | 0.97Å | 1.00Å | |
| C22 | H12 | sing | 1.08Å | 1.08Å | |
| C24 | H13 | sing | 1.08Å | 1.08Å | |
| C25 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F7 | C4 | C3 | 119.4° | 119.9° |
| F7 | C4 | C5 | 119.2° | 120.0° |
| F15 | C10 | C11 | 102.2° | 109.7° |
| F15 | C10 | C8 | 109.3° | 109.7° |
| F15 | C10 | H6 | 112.4° | 109.8° |
| C11 | C10 | C8 | 113.1° | 108.1° |
| C10 | C11 | O12 | 108.6° | 108.0° |
| C11 | C10 | H6 | 110.1° | 109.8° |
| C10 | C11 | H7 | 109.7° | 109.8° |
| C10 | C11 | H8 | 109.7° | 109.8° |
| C10 | C8 | C9 | 115.8° | 109.4° |
| C10 | C8 | C5 | 109.4° | 109.4° |
| C10 | C8 | N14 | 106.3° | 109.8° |
| C8 | C10 | H6 | 109.6° | 109.8° |
| F28 | C9 | C8 | 105.6° | 109.5° |
| F28 | C9 | H4 | 110.4° | 109.4° |
| F28 | C9 | H5 | 110.4° | 109.5° |
| C9 | C8 | C5 | 102.6° | 109.4° |
| C9 | C8 | N14 | 107.1° | 109.5° |
| C8 | C9 | H4 | 110.4° | 109.5° |
| C8 | C9 | H5 | 110.4° | 109.5° |
| C3 | C4 | C5 | 121.1° | 120.1° |
| C4 | C3 | C2 | 120.1° | 120.0° |
| C4 | C3 | H2 | 120.0° | 120.0° |
| C4 | C5 | C8 | 119.6° | 120.0° |
| C4 | C5 | C6 | 119.6° | 120.1° |
| C11 | O12 | C13 | 119.6° | 117.4° |
| O12 | C11 | H7 | 109.7° | 109.8° |
| O12 | C11 | H8 | 109.7° | 109.8° |
| C3 | C2 | C1 | 117.7° | 120.0° |
| C3 | C2 | H1 | 121.1° | 120.0° |
| C2 | C3 | H2 | 119.9° | 120.0° |
| C5 | C8 | N14 | 115.9° | 109.4° |
| C8 | C5 | C6 | 120.8° | 119.9° |
| C8 | N14 | C13 | 121.1° | 123.3° |
| C5 | C6 | C1 | 119.2° | 119.9° |
| C5 | C6 | H3 | 120.4° | 120.1° |
| O12 | C13 | N14 | 127.9° | 123.8° |
| O12 | C13 | N16 | 113.5° | 118.1° |
| C2 | C1 | C6 | 122.2° | 119.9° |
| C2 | C1 | N17 | 123.2° | 120.0° |
| C1 | C2 | H1 | 121.2° | 120.1° |
| N14 | C13 | N16 | 118.6° | 118.1° |
| C13 | N16 | H9 | 120.0° | 120.0° |
| C13 | N16 | H10 | 120.0° | 120.0° |
| C6 | C1 | N17 | 114.3° | 120.0° |
| C1 | C6 | H3 | 120.4° | 120.0° |
| C1 | N17 | C18 | 127.3° | 120.0° |
| C1 | N17 | H11 | 116.4° | 120.0° |
| O20 | C18 | N17 | 121.9° | 120.0° |
| O20 | C18 | C19 | 122.7° | 120.0° |
| N17 | C18 | C19 | 115.3° | 120.0° |
| C18 | N17 | H11 | 116.3° | 120.0° |
| C18 | C19 | C25 | 119.9° | 119.5° |
| C18 | C19 | N21 | 116.4° | 119.6° |
| C25 | C19 | N21 | 123.4° | 120.9° |
| C19 | C25 | C24 | 116.8° | 119.2° |
| C19 | C25 | H14 | 121.6° | 120.4° |
| C19 | N21 | C22 | 122.5° | 121.8° |
| C25 | C24 | C23 | 118.5° | 118.4° |
| C25 | C24 | H13 | 120.7° | 120.8° |
| C24 | C25 | H14 | 121.6° | 120.4° |
| N21 | C22 | C23 | 117.9° | 120.7° |
| N21 | C22 | H12 | 121.1° | 119.6° |
| C24 | C23 | C22 | 120.9° | 119.0° |
| C24 | C23 | C26 | 119.5° | 120.5° |
| C23 | C24 | H13 | 120.8° | 120.8° |
| C22 | C23 | C26 | 119.6° | 120.5° |
| C23 | C22 | H12 | 121.0° | 119.6° |
| C23 | C26 | N27 | 178.4° | 179.9° |
| H4 | C9 | H5 | 109.5° | 109.5° |
| H7 | C11 | H8 | 109.5° | 109.7° |
| H9 | N16 | H10 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F7 | C4 | C3 | C5 | 174.4° | 180.0° |
| F7 | C4 | C3 | C2 | 176.6° | 180.0° |
| F7 | C4 | C5 | C8 | 2.6° | 0.0° |
| F7 | C4 | C5 | C6 | 177.4° | 180.0° |
| F7 | C4 | C3 | H2 | 3.5° | 0.0° |
| F15 | C10 | C11 | C8 | 117.4° | 119.6° |
| F15 | C10 | C11 | H6 | 119.6° | 120.7° |
| F15 | C10 | C8 | H6 | 123.6° | 120.7° |
| F15 | C10 | C8 | C9 | 58.1° | 47.4° |
| F15 | C10 | C11 | O12 | 66.2° | 58.6° |
| F15 | C10 | C8 | C5 | 173.4° | 167.2° |
| F15 | C10 | C8 | N14 | 60.8° | 72.8° |
| F15 | C10 | C11 | H7 | 174.0° | 178.3° |
| F15 | C10 | C11 | H8 | 53.7° | 61.0° |
| C11 | C10 | C8 | H6 | 123.3° | 119.7° |
| C11 | C10 | C8 | C9 | 171.2° | 166.9° |
| C10 | C11 | O12 | H7 | 119.9° | 119.6° |
| C10 | C11 | O12 | H8 | 119.9° | 119.7° |
| C11 | C10 | C8 | C5 | 73.4° | 73.3° |
| C11 | C10 | C8 | N14 | 52.4° | 46.8° |
| C10 | C11 | O12 | C13 | 23.1° | 45.9° |
| C10 | C11 | H7 | H8 | 120.4° | 120.7° |
| C10 | C8 | C9 | F28 | 66.4° | 59.8° |
| C10 | C8 | C9 | C5 | 119.1° | 119.8° |
| C10 | C8 | C9 | N14 | 118.4° | 120.3° |
| C10 | C8 | C5 | C4 | 72.2° | 59.7° |
| C8 | C10 | C11 | O12 | 51.2° | 61.0° |
| C10 | C8 | C5 | N14 | 120.1° | 120.3° |
| C10 | C8 | C5 | C6 | 107.8° | 120.3° |
| C10 | C8 | N14 | C13 | 26.2° | 18.0° |
| C10 | C8 | C9 | H4 | 174.2° | 179.8° |
| C10 | C8 | C9 | H5 | 53.0° | 60.2° |
| C8 | C10 | C11 | H7 | 68.7° | 58.7° |
| C8 | C10 | C11 | H8 | 171.1° | 179.4° |
| F28 | C9 | C8 | H4 | 119.4° | 120.0° |
| F28 | C9 | C8 | H5 | 119.4° | 120.0° |
| F28 | C9 | C8 | C5 | 174.5° | 60.0° |
| F28 | C9 | C8 | N14 | 52.0° | 179.9° |
| F28 | C9 | H4 | H5 | 121.8° | 120.0° |
| C9 | C8 | C5 | C4 | 51.3° | 60.1° |
| C9 | C8 | C5 | N14 | 116.4° | 119.9° |
| C9 | C8 | C5 | C6 | 128.6° | 119.9° |
| C9 | C8 | N14 | C13 | 150.6° | 138.1° |
| C8 | C9 | H4 | H5 | 121.8° | 120.0° |
| C9 | C8 | C10 | H6 | 65.5° | 73.4° |
| C4 | C3 | C2 | H2 | 180.0° | 180.0° |
| C3 | C4 | C5 | C8 | 177.0° | 180.0° |
| C3 | C4 | C5 | C6 | 3.1° | 0.0° |
| C4 | C3 | C2 | C1 | 0.6° | 0.0° |
| C4 | C3 | C2 | H1 | 179.4° | 179.8° |
| C5 | C4 | C3 | C2 | 2.2° | 0.0° |
| C4 | C5 | C8 | C6 | 180.0° | 180.0° |
| C4 | C5 | C8 | N14 | 167.7° | 180.0° |
| C4 | C5 | C6 | C1 | 1.1° | 0.0° |
| C5 | C4 | C3 | H2 | 177.8° | 180.0° |
| C4 | C5 | C6 | H3 | 178.9° | 179.9° |
| C11 | O12 | C13 | N14 | 3.7° | 15.8° |
| C11 | O12 | C13 | N16 | 177.2° | 164.3° |
| O12 | C11 | C10 | H6 | 174.2° | 179.3° |
| O12 | C11 | H7 | H8 | 120.4° | 120.7° |
| C3 | C2 | C1 | H1 | 180.0° | 179.8° |
| C3 | C2 | C1 | C6 | 2.5° | 0.0° |
| C3 | C2 | C1 | N17 | 176.4° | 179.7° |
| C5 | C8 | N14 | C13 | 95.6° | 102.0° |
| C8 | C5 | C6 | C1 | 178.9° | 180.0° |
| C8 | C5 | C6 | H3 | 1.1° | 0.0° |
| C5 | C8 | C9 | H4 | 55.1° | 60.0° |
| C5 | C8 | C9 | H5 | 66.2° | 180.0° |
| C5 | C8 | C10 | H6 | 49.8° | 46.5° |
| N14 | C8 | C5 | C6 | 12.3° | 0.0° |
| C8 | N14 | C13 | O12 | 1.3° | 0.5° |
| C8 | N14 | C13 | N16 | 179.6° | 179.5° |
| N14 | C8 | C9 | H4 | 67.4° | 59.9° |
| N14 | C8 | C9 | H5 | 171.3° | 60.1° |
| N14 | C8 | C10 | H6 | 175.6° | 166.5° |
| C5 | C6 | C1 | C2 | 1.7° | 0.0° |
| C5 | C6 | C1 | H3 | 180.0° | 180.0° |
| C5 | C6 | C1 | N17 | 176.1° | 179.7° |
| O12 | C13 | N14 | N16 | 179.1° | 180.0° |
| C13 | O12 | C11 | H7 | 96.8° | 73.7° |
| C13 | O12 | C11 | H8 | 142.9° | 165.6° |
| O12 | C13 | N16 | H9 | 0.0° | 180.0° |
| O12 | C13 | N16 | H10 | 180.0° | 0.0° |
| C2 | C1 | C6 | N17 | 174.4° | 179.7° |
| C2 | C1 | N17 | C18 | 9.7° | 33.4° |
| C1 | C2 | C3 | H2 | 179.4° | 180.0° |
| C2 | C1 | C6 | H3 | 178.3° | 180.0° |
| C2 | C1 | N17 | H11 | 170.3° | 146.6° |
| N14 | C13 | N16 | H9 | 179.2° | 0.0° |
| N14 | C13 | N16 | H10 | 0.8° | 180.0° |
| C13 | N16 | H9 | H10 | 180.0° | 180.0° |
| C6 | C1 | N17 | C18 | 164.7° | 146.9° |
| C6 | C1 | C2 | H1 | 177.5° | 179.8° |
| C6 | C1 | N17 | H11 | 15.3° | 33.1° |
| C1 | N17 | C18 | O20 | 3.3° | 5.3° |
| C1 | N17 | C18 | H11 | 180.0° | 180.0° |
| C1 | N17 | C18 | C19 | 174.9° | 174.7° |
| N17 | C1 | C2 | H1 | 3.6° | 0.1° |
| N17 | C1 | C6 | H3 | 3.9° | 0.3° |
| O20 | C18 | N17 | C19 | 178.2° | 180.0° |
| O20 | C18 | C19 | C25 | 13.9° | 0.0° |
| O20 | C18 | C19 | N21 | 172.2° | 179.7° |
| O20 | C18 | N17 | H11 | 176.7° | 174.7° |
| N17 | C18 | C19 | C25 | 164.3° | 180.0° |
| N17 | C18 | C19 | N21 | 9.6° | 0.3° |
| C18 | C19 | C25 | N21 | 173.5° | 179.7° |
| C18 | C19 | C25 | C24 | 176.0° | 179.8° |
| C18 | C19 | N21 | C22 | 178.0° | 180.0° |
| C19 | C18 | N17 | H11 | 5.1° | 5.3° |
| C18 | C19 | C25 | H14 | 4.0° | 0.0° |
| C19 | C25 | C24 | H14 | 180.0° | 179.7° |
| C25 | C19 | N21 | C22 | 4.3° | 0.3° |
| C19 | C25 | C24 | C23 | 0.4° | 0.6° |
| C19 | C25 | C24 | H13 | 179.6° | 179.7° |
| N21 | C19 | C25 | C24 | 2.5° | 0.6° |
| C19 | N21 | C22 | C23 | 3.6° | 0.0° |
| C19 | N21 | C22 | H12 | 176.4° | 180.0° |
| N21 | C19 | C25 | H14 | 177.5° | 179.7° |
| C25 | C24 | C23 | H13 | 180.0° | 179.7° |
| C25 | C24 | C23 | C22 | 0.1° | 0.3° |
| C25 | C24 | C23 | C26 | 178.6° | 179.8° |
| N21 | C22 | C23 | C24 | 1.5° | 0.0° |
| N21 | C22 | C23 | H12 | 180.0° | 180.0° |
| N21 | C22 | C23 | C26 | 179.9° | 179.9° |
| C24 | C23 | C22 | C26 | 178.6° | 179.9° |
| C24 | C23 | C26 | N27 | 12.6° | 35.5° |
| C24 | C23 | C22 | H12 | 178.5° | 180.0° |
| C23 | C24 | C25 | H14 | 179.6° | 179.7° |
| C22 | C23 | C26 | N27 | 166.1° | 144.6° |
| C22 | C23 | C24 | H13 | 179.9° | 180.0° |
| C26 | C23 | C22 | H12 | 0.1° | 0.1° |
| C26 | C23 | C24 | H13 | 1.4° | 0.1° |
| H1 | C2 | C3 | H2 | 0.6° | 0.2° |
| H6 | C10 | C11 | H7 | 54.3° | 61.1° |
| H6 | C10 | C11 | H8 | 66.0° | 59.6° |
| H13 | C24 | C25 | H14 | 0.4° | 0.0° |
