H0A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C7 | doub | 1.30Å | 1.55Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C7 | C6 | sing | 1.51Å | 1.53Å | |
| C9 | C10 | sing | 1.53Å | 1.55Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C10 | N | sing | 1.46Å | 1.50Å | |
| C5 | N | sing | 1.46Å | 1.46Å | |
| C5 | C4 | sing | 1.51Å | 1.50Å | |
| N | C11 | sing | 1.35Å | 1.37Å | |
| C4 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.41Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | O1 | doub | 1.21Å | 1.21Å | |
| C11 | C12 | sing | 1.51Å | 1.52Å | |
| C2 | C1 | doub | 1.39Å | 1.41Å | Aromatic |
| C14 | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | O | sing | 1.36Å | 1.39Å | |
| O | C | sing | 1.43Å | 1.44Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.08Å | 1.08Å | |
| C2 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C | H17 | sing | 1.09Å | 1.10Å | |
| C | H18 | sing | 1.09Å | 1.10Å | |
| C | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C8 | C9 | 118.4° | 120.6° |
| C8 | C7 | C6 | 119.9° | 120.6° |
| C8 | C7 | H4 | 120.0° | 119.7° |
| C7 | C8 | H5 | 120.8° | 119.7° |
| C8 | C9 | C10 | 116.8° | 108.7° |
| C9 | C8 | H5 | 120.8° | 119.7° |
| C8 | C9 | H12 | 107.6° | 109.6° |
| C8 | C9 | H13 | 107.6° | 109.6° |
| C7 | C6 | C5 | 112.9° | 108.7° |
| C7 | C6 | H2 | 108.6° | 109.6° |
| C7 | C6 | H3 | 108.6° | 109.7° |
| C6 | C7 | H4 | 120.1° | 119.7° |
| C9 | C10 | N | 118.5° | 109.6° |
| C9 | C10 | H6 | 107.1° | 109.5° |
| C9 | C10 | H7 | 107.2° | 109.4° |
| C10 | C9 | H12 | 107.6° | 109.6° |
| C10 | C9 | H13 | 107.6° | 109.6° |
| C6 | C5 | N | 111.6° | 109.6° |
| C6 | C5 | C4 | 112.2° | 109.4° |
| C6 | C5 | H1 | 107.6° | 109.4° |
| C5 | C6 | H2 | 108.6° | 109.6° |
| C5 | C6 | H3 | 108.6° | 109.6° |
| C10 | N | C5 | 116.1° | 122.3° |
| C10 | N | C11 | 124.7° | 118.9° |
| N | C10 | H6 | 107.2° | 109.5° |
| N | C10 | H7 | 107.1° | 109.5° |
| N | C5 | C4 | 109.0° | 109.5° |
| C5 | N | C11 | 118.9° | 118.8° |
| N | C5 | H1 | 108.4° | 109.5° |
| C5 | C4 | C3 | 116.8° | 119.9° |
| C5 | C4 | C13 | 124.8° | 119.9° |
| C4 | C5 | H1 | 107.8° | 109.4° |
| N | C11 | O1 | 116.3° | 120.0° |
| N | C11 | C12 | 126.4° | 120.0° |
| C3 | C4 | C13 | 118.3° | 120.1° |
| C4 | C3 | C2 | 120.8° | 120.0° |
| C4 | C3 | H14 | 119.6° | 120.0° |
| C4 | C13 | C14 | 121.1° | 120.1° |
| C4 | C13 | H8 | 119.5° | 120.0° |
| C3 | C2 | C1 | 120.6° | 120.0° |
| C2 | C3 | H14 | 119.6° | 120.0° |
| C3 | C2 | H15 | 119.7° | 120.0° |
| C13 | C14 | C1 | 120.4° | 120.0° |
| C14 | C13 | H8 | 119.4° | 120.0° |
| C13 | C14 | H16 | 119.8° | 120.1° |
| O1 | C11 | C12 | 117.2° | 120.0° |
| C11 | C12 | H9 | 109.5° | 109.5° |
| C11 | C12 | H10 | 109.5° | 109.4° |
| C11 | C12 | H11 | 109.5° | 109.5° |
| C2 | C1 | C14 | 118.8° | 119.9° |
| C2 | C1 | O | 122.5° | 120.1° |
| C1 | C2 | H15 | 119.7° | 120.0° |
| C14 | C1 | O | 118.7° | 120.1° |
| C1 | C14 | H16 | 119.8° | 120.0° |
| C1 | O | C | 124.0° | 117.0° |
| O | C | H17 | 109.5° | 109.5° |
| O | C | H18 | 109.4° | 109.5° |
| O | C | H19 | 109.5° | 109.5° |
| H2 | C6 | H3 | 109.5° | 109.6° |
| H6 | C10 | H7 | 109.5° | 109.5° |
| H9 | C12 | H10 | 109.5° | 109.4° |
| H9 | C12 | H11 | 109.4° | 109.5° |
| H10 | C12 | H11 | 109.5° | 109.5° |
| H12 | C9 | H13 | 109.5° | 109.7° |
| H17 | C | H18 | 109.5° | 109.4° |
| H17 | C | H19 | 109.5° | 109.5° |
| H18 | C | H19 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C8 | C9 | H5 | 180.0° | 180.0° |
| C8 | C7 | C6 | H4 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 41.3° | 71.9° |
| C8 | C7 | C6 | C5 | 69.8° | 71.8° |
| C8 | C7 | C6 | H2 | 169.7° | 47.9° |
| C8 | C7 | C6 | H3 | 50.7° | 168.3° |
| C7 | C8 | C9 | H12 | 79.8° | 47.9° |
| C7 | C8 | C9 | H13 | 162.3° | 168.3° |
| C9 | C8 | C7 | C6 | 9.0° | 0.1° |
| C8 | C9 | C10 | H12 | 121.1° | 119.8° |
| C8 | C9 | C10 | H13 | 121.1° | 119.8° |
| C8 | C9 | C10 | N | 18.1° | 80.9° |
| C9 | C8 | C7 | H4 | 171.0° | 180.0° |
| C8 | C9 | C10 | H6 | 103.2° | 39.2° |
| C8 | C9 | C10 | H7 | 139.3° | 159.1° |
| C8 | C9 | H12 | H13 | 116.7° | 120.3° |
| C7 | C6 | C5 | H2 | 120.5° | 119.8° |
| C7 | C6 | C5 | H3 | 120.5° | 119.9° |
| C7 | C6 | C5 | N | 56.6° | 80.9° |
| C7 | C6 | C5 | C4 | 179.3° | 159.1° |
| C7 | C6 | C5 | H1 | 62.2° | 39.2° |
| C7 | C6 | H2 | H3 | 118.4° | 120.4° |
| C6 | C7 | C8 | H5 | 171.0° | 180.0° |
| C9 | C10 | N | H6 | 121.3° | 120.1° |
| C9 | C10 | N | H7 | 121.3° | 119.9° |
| C9 | C10 | N | C5 | 82.7° | 63.4° |
| C9 | C10 | N | C11 | 103.8° | 116.6° |
| C10 | C9 | C8 | H5 | 138.7° | 108.1° |
| C9 | C10 | H6 | H7 | 115.9° | 119.9° |
| C10 | C9 | H12 | H13 | 116.6° | 120.4° |
| C6 | C5 | N | C10 | 32.8° | 63.4° |
| C6 | C5 | N | C4 | 124.5° | 120.0° |
| C6 | C5 | N | H1 | 118.3° | 120.0° |
| C6 | C5 | C4 | H1 | 118.3° | 119.9° |
| C6 | C5 | N | C11 | 153.3° | 116.6° |
| C6 | C5 | C4 | C3 | 78.3° | 25.2° |
| C6 | C5 | C4 | C13 | 102.5° | 154.5° |
| C5 | C6 | H2 | H3 | 118.5° | 120.3° |
| C5 | C6 | C7 | H4 | 110.2° | 108.1° |
| C10 | N | C5 | C11 | 173.9° | 180.0° |
| C10 | N | C5 | C4 | 91.7° | 176.6° |
| C10 | N | C11 | O1 | 5.5° | 174.3° |
| C10 | N | C11 | C12 | 177.1° | 5.7° |
| C10 | N | C5 | H1 | 151.1° | 56.6° |
| N | C10 | H6 | H7 | 115.9° | 120.0° |
| N | C10 | C9 | H12 | 139.1° | 38.9° |
| N | C10 | C9 | H13 | 103.0° | 159.3° |
| N | C5 | C4 | H1 | 117.6° | 120.0° |
| N | C5 | C4 | C3 | 157.5° | 94.9° |
| N | C5 | C4 | C13 | 21.7° | 85.4° |
| C5 | N | C11 | O1 | 167.8° | 5.7° |
| C5 | N | C11 | C12 | 9.6° | 174.3° |
| N | C5 | C6 | H2 | 177.1° | 38.9° |
| N | C5 | C6 | H3 | 63.9° | 159.2° |
| C5 | N | C10 | H6 | 38.6° | 56.7° |
| C5 | N | C10 | H7 | 156.1° | 176.7° |
| C4 | C5 | N | C11 | 82.2° | 3.4° |
| C5 | C4 | C3 | C13 | 179.2° | 179.7° |
| C5 | C4 | C3 | C2 | 179.4° | 179.7° |
| C5 | C4 | C13 | C14 | 179.5° | 179.8° |
| C4 | C5 | C6 | H2 | 60.2° | 81.1° |
| C4 | C5 | C6 | H3 | 58.8° | 39.2° |
| C5 | C4 | C13 | H8 | 0.5° | 0.3° |
| C5 | C4 | C3 | H14 | 0.6° | 0.3° |
| N | C11 | O1 | C12 | 177.6° | 180.0° |
| C11 | N | C5 | H1 | 35.0° | 123.3° |
| C11 | N | C10 | H6 | 134.9° | 123.3° |
| C11 | N | C10 | H7 | 17.4° | 3.3° |
| N | C11 | C12 | H9 | 177.4° | 180.0° |
| N | C11 | C12 | H10 | 62.6° | 60.0° |
| N | C11 | C12 | H11 | 57.4° | 60.0° |
| C4 | C3 | C2 | H14 | 180.0° | 180.0° |
| C3 | C4 | C13 | C14 | 0.4° | 0.1° |
| C4 | C3 | C2 | C1 | 0.0° | 0.0° |
| C3 | C4 | C5 | H1 | 40.0° | 145.1° |
| C3 | C4 | C13 | H8 | 179.6° | 180.0° |
| C4 | C3 | C2 | H15 | 180.0° | 180.0° |
| C13 | C4 | C3 | C2 | 0.2° | 0.0° |
| C4 | C13 | C14 | H8 | 180.0° | 180.0° |
| C4 | C13 | C14 | C1 | 0.4° | 0.1° |
| C13 | C4 | C5 | H1 | 139.2° | 34.6° |
| C13 | C4 | C3 | H14 | 179.8° | 180.0° |
| C4 | C13 | C14 | H16 | 179.6° | 180.0° |
| C3 | C2 | C1 | H15 | 180.0° | 180.0° |
| C3 | C2 | C1 | C14 | 0.1° | 0.0° |
| C3 | C2 | C1 | O | 179.6° | 180.0° |
| C13 | C14 | C1 | C2 | 0.3° | 0.1° |
| C13 | C14 | C1 | H16 | 180.0° | 180.0° |
| C13 | C14 | C1 | O | 179.8° | 180.0° |
| O1 | C11 | C12 | H9 | 0.0° | 0.0° |
| O1 | C11 | C12 | H10 | 120.0° | 120.0° |
| O1 | C11 | C12 | H11 | 120.0° | 120.0° |
| C11 | C12 | H9 | H10 | 120.0° | 119.9° |
| C11 | C12 | H9 | H11 | 120.0° | 120.0° |
| C11 | C12 | H10 | H11 | 120.0° | 120.0° |
| C2 | C1 | C14 | O | 179.6° | 180.0° |
| C2 | C1 | O | C | 9.0° | 180.0° |
| C1 | C2 | C3 | H14 | 180.0° | 180.0° |
| C2 | C1 | C14 | H16 | 179.7° | 180.0° |
| C14 | C1 | O | C | 171.5° | 0.0° |
| C1 | C14 | C13 | H8 | 179.6° | 180.0° |
| C14 | C1 | C2 | H15 | 179.9° | 180.0° |
| O | C1 | C2 | H15 | 0.4° | 0.0° |
| O | C1 | C14 | H16 | 0.2° | 0.0° |
| C1 | O | C | H17 | 180.0° | 60.0° |
| C1 | O | C | H18 | 60.0° | 60.0° |
| C1 | O | C | H19 | 60.0° | 180.0° |
| O | C | H17 | H18 | 120.0° | 120.0° |
| O | C | H17 | H19 | 120.0° | 120.0° |
| O | C | H18 | H19 | 120.0° | 120.0° |
| H1 | C5 | C6 | H2 | 58.3° | 159.0° |
| H1 | C5 | C6 | H3 | 177.3° | 80.7° |
| H2 | C6 | C7 | H4 | 10.3° | 132.1° |
| H3 | C6 | C7 | H4 | 129.3° | 11.8° |
| H4 | C7 | C8 | H5 | 9.0° | 0.0° |
| H5 | C8 | C9 | H12 | 100.2° | 132.1° |
| H5 | C8 | C9 | H13 | 17.7° | 11.7° |
| H6 | C10 | C9 | H12 | 17.9° | 158.9° |
| H6 | C10 | C9 | H13 | 135.7° | 80.6° |
| H7 | C10 | C9 | H12 | 99.6° | 81.1° |
| H7 | C10 | C9 | H13 | 18.3° | 39.4° |
| H8 | C13 | C14 | H16 | 0.5° | 0.0° |
| H9 | C12 | H10 | H11 | 119.9° | 120.0° |
| H14 | C3 | C2 | H15 | 0.0° | 0.0° |
| H17 | C | H18 | H19 | 120.0° | 120.0° |
