H4T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL5 | C4 | sing | 1.74Å | 1.71Å | |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| O1 | C2 | sing | 1.36Å | 1.35Å | |
| C2 | C9 | doub | 1.40Å | 1.40Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.37Å | Aromatic |
| C16 | C17 | sing | 1.54Å | 1.54Å | |
| C16 | C15 | sing | 1.52Å | 1.52Å | |
| C19 | C15 | sing | 1.53Å | 1.51Å | |
| C19 | N12 | sing | 1.48Å | 1.47Å | |
| C9 | C7 | sing | 1.40Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.47Å | 1.47Å | |
| C17 | C18 | sing | 1.54Å | 1.54Å | |
| C7 | CL8 | sing | 1.74Å | 1.73Å | |
| C15 | C14 | sing | 1.54Å | 1.54Å | |
| C15 | C18 | sing | 1.52Å | 1.52Å | |
| N12 | C10 | sing | 1.35Å | 1.34Å | |
| N12 | C13 | sing | 1.47Å | 1.48Å | |
| C10 | O11 | doub | 1.22Å | 1.22Å | |
| C14 | C13 | sing | 1.54Å | 1.55Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C16 | H3 | sing | 1.09Å | 1.10Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| O1 | H11 | sing | 0.97Å | 0.95Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL5 | C4 | C3 | 120.1° | 119.8° |
| CL5 | C4 | C6 | 118.1° | 119.8° |
| C4 | C3 | C2 | 119.1° | 120.1° |
| C3 | C4 | C6 | 121.7° | 120.4° |
| C4 | C3 | H1 | 120.4° | 119.9° |
| C3 | C2 | O1 | 120.9° | 120.1° |
| C3 | C2 | C9 | 119.8° | 119.7° |
| C2 | C3 | H1 | 120.5° | 120.0° |
| C4 | C6 | C7 | 119.6° | 120.3° |
| C4 | C6 | H2 | 120.2° | 119.8° |
| O1 | C2 | C9 | 119.3° | 120.1° |
| C2 | O1 | H11 | 109.5° | 114.0° |
| C2 | C9 | C7 | 119.9° | 119.6° |
| C2 | C9 | C10 | 119.8° | 120.2° |
| C6 | C7 | C9 | 119.9° | 119.9° |
| C6 | C7 | CL8 | 119.1° | 120.0° |
| C7 | C6 | H2 | 120.2° | 119.9° |
| C17 | C16 | C15 | 86.6° | 86.6° |
| C16 | C17 | C18 | 87.2° | 87.4° |
| C17 | C16 | H3 | 114.9° | 113.7° |
| C17 | C16 | H4 | 114.8° | 113.7° |
| C16 | C17 | H5 | 114.7° | 113.6° |
| C16 | C17 | H6 | 114.7° | 113.6° |
| C16 | C15 | C19 | 115.1° | 116.4° |
| C16 | C15 | C14 | 118.5° | 116.3° |
| C16 | C15 | C18 | 88.7° | 88.6° |
| C15 | C16 | H3 | 114.8° | 113.7° |
| C15 | C16 | H4 | 114.9° | 113.7° |
| C15 | C19 | N12 | 104.7° | 104.7° |
| C19 | C15 | C14 | 103.6° | 103.4° |
| C19 | C15 | C18 | 115.5° | 116.4° |
| C15 | C19 | H9 | 110.7° | 110.4° |
| C15 | C19 | H10 | 110.6° | 110.5° |
| C19 | N12 | C10 | 125.6° | 125.6° |
| C19 | N12 | C13 | 108.9° | 108.8° |
| N12 | C19 | H9 | 110.6° | 110.3° |
| N12 | C19 | H10 | 110.7° | 110.4° |
| C7 | C9 | C10 | 120.2° | 120.2° |
| C9 | C7 | CL8 | 121.0° | 120.1° |
| C9 | C10 | N12 | 118.5° | 120.0° |
| C9 | C10 | O11 | 120.5° | 120.0° |
| C17 | C18 | C15 | 86.4° | 86.6° |
| C18 | C17 | H5 | 114.7° | 113.6° |
| C18 | C17 | H6 | 114.7° | 113.5° |
| C17 | C18 | H7 | 114.9° | 113.8° |
| C17 | C18 | H8 | 114.9° | 113.7° |
| C14 | C15 | C18 | 115.8° | 116.3° |
| C15 | C14 | C13 | 98.8° | 102.8° |
| C15 | C14 | H14 | 112.1° | 110.7° |
| C15 | C14 | H15 | 112.1° | 110.7° |
| C15 | C18 | H7 | 114.9° | 113.7° |
| C15 | C18 | H8 | 114.9° | 113.7° |
| C10 | N12 | C13 | 124.9° | 125.7° |
| N12 | C10 | O11 | 121.0° | 120.0° |
| N12 | C13 | C14 | 105.0° | 107.4° |
| N12 | C13 | H12 | 110.6° | 109.9° |
| N12 | C13 | H13 | 110.6° | 109.8° |
| C14 | C13 | H12 | 110.6° | 109.9° |
| C14 | C13 | H13 | 110.6° | 110.0° |
| C13 | C14 | H14 | 112.1° | 110.8° |
| C13 | C14 | H15 | 112.1° | 110.8° |
| H3 | C16 | H4 | 109.5° | 113.0° |
| H5 | C17 | H6 | 109.4° | 112.9° |
| H7 | C18 | H8 | 109.5° | 112.9° |
| H9 | C19 | H10 | 109.5° | 110.5° |
| H12 | C13 | H13 | 109.5° | 109.8° |
| H14 | C14 | H15 | 109.5° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL5 | C4 | C3 | C6 | 179.6° | 180.0° |
| CL5 | C4 | C3 | C2 | 179.6° | 180.0° |
| CL5 | C4 | C6 | C7 | 179.5° | 180.0° |
| CL5 | C4 | C3 | H1 | 0.5° | 0.0° |
| CL5 | C4 | C6 | H2 | 0.5° | 0.1° |
| C4 | C3 | C2 | H1 | 180.0° | 180.0° |
| C4 | C3 | C2 | O1 | 180.0° | 179.8° |
| C4 | C3 | C2 | C9 | 0.8° | 0.0° |
| C3 | C4 | C6 | C7 | 0.9° | 0.1° |
| C3 | C4 | C6 | H2 | 179.1° | 179.9° |
| C2 | C3 | C4 | C6 | 0.1° | 0.0° |
| C3 | C2 | O1 | C9 | 179.2° | 179.7° |
| C3 | C2 | C9 | C7 | 0.6° | 0.0° |
| C3 | C2 | C9 | C10 | 179.7° | 180.0° |
| C3 | C2 | O1 | H11 | 180.0° | 90.3° |
| C4 | C6 | C7 | H2 | 180.0° | 179.9° |
| C4 | C6 | C7 | C9 | 1.1° | 0.1° |
| C4 | C6 | C7 | CL8 | 179.7° | 179.9° |
| C6 | C4 | C3 | H1 | 179.9° | 180.0° |
| O1 | C2 | C9 | C7 | 179.8° | 179.7° |
| O1 | C2 | C9 | C10 | 0.6° | 0.3° |
| O1 | C2 | C3 | H1 | 0.0° | 0.3° |
| C2 | C9 | C7 | C6 | 0.3° | 0.0° |
| C2 | C9 | C7 | C10 | 179.6° | 180.0° |
| C2 | C9 | C7 | CL8 | 178.9° | 179.9° |
| C2 | C9 | C10 | N12 | 102.3° | 90.0° |
| C2 | C9 | C10 | O11 | 78.5° | 90.0° |
| C9 | C2 | C3 | H1 | 179.2° | 180.0° |
| C9 | C2 | O1 | H11 | 0.8° | 90.0° |
| C6 | C7 | C9 | CL8 | 178.6° | 180.0° |
| C6 | C7 | C9 | C10 | 179.3° | 179.9° |
| C17 | C16 | C15 | H3 | 115.9° | 114.4° |
| C17 | C16 | C15 | H4 | 115.9° | 114.4° |
| C17 | C16 | C15 | C19 | 92.8° | 143.6° |
| C16 | C17 | C18 | H5 | 116.0° | 114.7° |
| C16 | C17 | C18 | H6 | 116.0° | 114.6° |
| C17 | C16 | C15 | C14 | 143.8° | 94.2° |
| C17 | C16 | C15 | C18 | 24.9° | 24.6° |
| C17 | C16 | H3 | H4 | 130.9° | 131.5° |
| C16 | C17 | H5 | H6 | 130.6° | 131.1° |
| C16 | C17 | C18 | H7 | 140.4° | 138.8° |
| C16 | C17 | C18 | H8 | 91.3° | 90.1° |
| C16 | C15 | C19 | C14 | 131.0° | 128.8° |
| C16 | C15 | C19 | C18 | 101.3° | 102.5° |
| C16 | C15 | C19 | N12 | 165.4° | 163.9° |
| C16 | C15 | C14 | C18 | 103.5° | 102.4° |
| C16 | C15 | C14 | C13 | 171.7° | 162.6° |
| C15 | C16 | H3 | H4 | 130.9° | 131.5° |
| C15 | C16 | C17 | H5 | 91.4° | 139.0° |
| C15 | C16 | C17 | H6 | 140.6° | 90.2° |
| C16 | C15 | C18 | H7 | 140.7° | 139.1° |
| C16 | C15 | C18 | H8 | 91.0° | 89.8° |
| C16 | C15 | C19 | H9 | 46.1° | 45.2° |
| C16 | C15 | C19 | H10 | 75.4° | 77.3° |
| C16 | C15 | C14 | H14 | 70.1° | 79.0° |
| C16 | C15 | C14 | H15 | 53.4° | 44.3° |
| C15 | C19 | N12 | H9 | 119.3° | 118.8° |
| C15 | C19 | N12 | H10 | 119.2° | 118.9° |
| C19 | C15 | C18 | C17 | 92.4° | 143.6° |
| C19 | C15 | C14 | C18 | 127.6° | 128.8° |
| C15 | C19 | N12 | C10 | 160.4° | 157.4° |
| C15 | C19 | N12 | C13 | 10.9° | 22.5° |
| C19 | C15 | C14 | C13 | 42.8° | 33.8° |
| C19 | C15 | C16 | H3 | 151.3° | 29.2° |
| C19 | C15 | C16 | H4 | 23.1° | 102.0° |
| C19 | C15 | C18 | H7 | 23.4° | 101.9° |
| C19 | C15 | C18 | H8 | 151.8° | 29.2° |
| C15 | C19 | H9 | H10 | 122.2° | 122.5° |
| C19 | C15 | C14 | H14 | 161.0° | 152.2° |
| C19 | C15 | C14 | H15 | 75.5° | 84.5° |
| C19 | N12 | C10 | C9 | 0.3° | 179.9° |
| N12 | C19 | C15 | C14 | 34.4° | 35.2° |
| N12 | C19 | C15 | C18 | 93.4° | 93.6° |
| C19 | N12 | C10 | C13 | 169.9° | 179.9° |
| C19 | N12 | C10 | O11 | 179.5° | 0.0° |
| C19 | N12 | C13 | C14 | 16.6° | 0.9° |
| N12 | C19 | H9 | H10 | 122.2° | 122.3° |
| C19 | N12 | C13 | H12 | 135.9° | 118.6° |
| C19 | N12 | C13 | H13 | 102.7° | 120.5° |
| C7 | C9 | C10 | N12 | 77.4° | 90.0° |
| C7 | C9 | C10 | O11 | 101.8° | 90.1° |
| C9 | C7 | C6 | H2 | 178.9° | 180.0° |
| C10 | C9 | C7 | CL8 | 0.7° | 0.1° |
| C9 | C10 | N12 | O11 | 179.2° | 180.0° |
| C9 | C10 | N12 | C13 | 169.5° | 0.0° |
| C17 | C18 | C15 | C14 | 146.2° | 94.3° |
| C17 | C18 | C15 | H7 | 115.8° | 114.5° |
| C17 | C18 | C15 | H8 | 115.8° | 114.4° |
| C18 | C17 | C16 | H3 | 91.2° | 90.1° |
| C18 | C17 | C16 | H4 | 140.5° | 138.7° |
| C18 | C17 | H5 | H6 | 130.6° | 131.0° |
| C17 | C18 | H7 | H8 | 131.0° | 131.5° |
| CL8 | C7 | C6 | H2 | 0.3° | 0.0° |
| C15 | C14 | C13 | N12 | 36.2° | 20.8° |
| C15 | C14 | C13 | H14 | 118.2° | 118.3° |
| C15 | C14 | C13 | H15 | 118.3° | 118.3° |
| C14 | C15 | C16 | H3 | 27.9° | 151.3° |
| C14 | C15 | C16 | H4 | 100.3° | 20.2° |
| C14 | C15 | C18 | H7 | 98.0° | 20.3° |
| C14 | C15 | C18 | H8 | 30.4° | 151.3° |
| C14 | C15 | C19 | H9 | 84.9° | 83.6° |
| C14 | C15 | C19 | H10 | 153.6° | 154.0° |
| C15 | C14 | C13 | H12 | 155.4° | 140.3° |
| C15 | C14 | C13 | H13 | 83.2° | 98.6° |
| C15 | C14 | H14 | H15 | 125.0° | 123.3° |
| C18 | C15 | C14 | C13 | 84.8° | 95.0° |
| C18 | C15 | C16 | H3 | 91.0° | 89.8° |
| C18 | C15 | C16 | H4 | 140.8° | 139.0° |
| C15 | C18 | C17 | H5 | 91.5° | 139.0° |
| C15 | C18 | C17 | H6 | 140.6° | 90.3° |
| C15 | C18 | H7 | H8 | 131.0° | 131.5° |
| C18 | C15 | C19 | H9 | 147.4° | 147.7° |
| C18 | C15 | C19 | H10 | 25.9° | 25.3° |
| C18 | C15 | C14 | H14 | 33.4° | 23.4° |
| C18 | C15 | C14 | H15 | 157.0° | 146.7° |
| C10 | N12 | C13 | C14 | 172.1° | 179.0° |
| C10 | N12 | C19 | H9 | 80.4° | 83.8° |
| C10 | N12 | C19 | H10 | 41.1° | 38.6° |
| C10 | N12 | C13 | H12 | 52.8° | 61.5° |
| C10 | N12 | C13 | H13 | 68.6° | 59.4° |
| C13 | N12 | C10 | O11 | 9.7° | 180.0° |
| N12 | C13 | C14 | H12 | 119.3° | 119.5° |
| N12 | C13 | C14 | H13 | 119.3° | 119.5° |
| C13 | N12 | C19 | H9 | 108.4° | 96.2° |
| C13 | N12 | C19 | H10 | 130.1° | 141.4° |
| N12 | C13 | H12 | H13 | 122.1° | 120.9° |
| N12 | C13 | C14 | H14 | 154.4° | 139.1° |
| N12 | C13 | C14 | H15 | 82.1° | 97.5° |
| C14 | C13 | H12 | H13 | 122.0° | 121.2° |
| C13 | C14 | H14 | H15 | 125.0° | 123.4° |
| H3 | C16 | C17 | H5 | 152.7° | 24.5° |
| H3 | C16 | C17 | H6 | 24.8° | 155.3° |
| H4 | C16 | C17 | H5 | 24.5° | 106.6° |
| H4 | C16 | C17 | H6 | 103.5° | 24.2° |
| H5 | C17 | C18 | H7 | 24.3° | 106.5° |
| H5 | C17 | C18 | H8 | 152.7° | 24.6° |
| H6 | C17 | C18 | H7 | 103.6° | 24.2° |
| H6 | C17 | C18 | H8 | 24.7° | 155.3° |
| H12 | C13 | C14 | H14 | 86.3° | 101.4° |
| H12 | C13 | C14 | H15 | 37.2° | 22.0° |
| H13 | C13 | C14 | H14 | 35.1° | 19.7° |
| H13 | C13 | C14 | H15 | 158.6° | 143.0° |
