T5M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C4 | sing | 1.51Å | 1.55Å | |
| C2 | C19 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C21 | doub | 1.39Å | 1.41Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.48Å | 1.49Å | |
| C6 | C18 | sing | 1.40Å | 1.38Å | Aromatic |
| C7 | O8 | doub | 1.22Å | 1.22Å | |
| C7 | N9 | sing | 1.35Å | 1.38Å | |
| N9 | C10 | sing | 1.47Å | 1.47Å | |
| N9 | C17 | sing | 1.47Å | 1.47Å | |
| C10 | C11 | sing | 1.51Å | 1.50Å | |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.51Å | 1.50Å | |
| C18 | C20 | doub | 1.38Å | 1.37Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.38Å | Aromatic |
| C21 | O22 | sing | 1.36Å | 1.36Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C1 | H13C | sing | 1.09Å | 1.10Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| C3 | H33C | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| O22 | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 108.2° | 109.5° |
| C1 | C2 | C4 | 110.3° | 109.5° |
| C1 | C2 | C19 | 108.0° | 109.5° |
| C2 | C1 | H11C | 109.5° | 109.5° |
| C2 | C1 | H12C | 109.5° | 109.5° |
| C2 | C1 | H13C | 109.4° | 109.5° |
| C3 | C2 | C4 | 110.8° | 109.5° |
| C3 | C2 | C19 | 108.1° | 109.4° |
| C2 | C3 | H31C | 109.5° | 109.4° |
| C2 | C3 | H32C | 109.5° | 109.5° |
| C2 | C3 | H33C | 109.5° | 109.5° |
| C4 | C2 | C19 | 111.2° | 109.5° |
| C2 | C4 | C5 | 120.2° | 119.9° |
| C2 | C4 | C21 | 122.6° | 120.0° |
| C2 | C19 | H191 | 109.5° | 109.5° |
| C2 | C19 | H192 | 109.5° | 109.5° |
| C2 | C19 | H193 | 109.5° | 109.4° |
| C5 | C4 | C21 | 117.2° | 120.1° |
| C4 | C5 | C6 | 121.8° | 119.9° |
| C4 | C5 | H5 | 119.1° | 120.1° |
| C4 | C21 | C20 | 120.7° | 120.1° |
| C4 | C21 | O22 | 121.2° | 119.9° |
| C5 | C6 | C7 | 120.1° | 120.1° |
| C5 | C6 | C18 | 119.6° | 119.8° |
| C6 | C5 | H5 | 119.1° | 120.1° |
| C7 | C6 | C18 | 120.3° | 120.1° |
| C6 | C7 | O8 | 119.4° | 120.0° |
| C6 | C7 | N9 | 117.9° | 120.0° |
| C6 | C18 | C20 | 120.3° | 119.9° |
| C6 | C18 | H18 | 119.8° | 120.0° |
| O8 | C7 | N9 | 122.7° | 120.0° |
| C7 | N9 | C10 | 123.9° | 126.6° |
| C7 | N9 | C17 | 123.0° | 126.6° |
| C10 | N9 | C17 | 111.5° | 106.9° |
| N9 | C10 | C11 | 102.3° | 107.7° |
| N9 | C10 | H101 | 111.9° | 109.8° |
| N9 | C10 | H102 | 113.5° | 109.9° |
| N9 | C17 | C16 | 102.3° | 107.7° |
| N9 | C17 | H171 | 112.0° | 109.8° |
| N9 | C17 | H172 | 113.5° | 109.8° |
| C10 | C11 | C12 | 129.9° | 131.2° |
| C10 | C11 | C16 | 110.3° | 108.9° |
| C11 | C10 | H101 | 111.9° | 109.8° |
| C11 | C10 | H102 | 113.5° | 109.8° |
| C12 | C11 | C16 | 119.8° | 119.9° |
| C11 | C12 | C13 | 120.0° | 120.2° |
| C11 | C12 | H12 | 120.0° | 120.0° |
| C11 | C16 | C15 | 119.8° | 119.9° |
| C11 | C16 | C17 | 110.4° | 108.8° |
| C12 | C13 | C14 | 120.1° | 119.9° |
| C13 | C12 | H12 | 120.0° | 119.9° |
| C12 | C13 | H13 | 119.9° | 120.1° |
| C13 | C14 | C15 | 120.2° | 119.9° |
| C14 | C13 | H13 | 119.9° | 120.0° |
| C13 | C14 | H14 | 119.9° | 120.0° |
| C14 | C15 | C16 | 120.1° | 120.1° |
| C15 | C14 | H14 | 119.9° | 120.1° |
| C14 | C15 | H15 | 120.0° | 119.9° |
| C15 | C16 | C17 | 129.8° | 131.2° |
| C16 | C15 | H15 | 120.0° | 119.9° |
| C16 | C17 | H171 | 111.9° | 110.0° |
| C16 | C17 | H172 | 113.5° | 109.7° |
| C18 | C20 | C21 | 120.5° | 120.1° |
| C20 | C18 | H18 | 119.9° | 120.0° |
| C18 | C20 | H20 | 119.8° | 120.0° |
| C20 | C21 | O22 | 118.1° | 119.9° |
| C21 | C20 | H20 | 119.8° | 119.9° |
| C21 | O22 | H22 | 109.5° | 114.0° |
| H11C | C1 | H12C | 109.5° | 109.5° |
| H11C | C1 | H13C | 109.4° | 109.5° |
| H12C | C1 | H13C | 109.5° | 109.4° |
| H31C | C3 | H32C | 109.4° | 109.5° |
| H31C | C3 | H33C | 109.5° | 109.5° |
| H32C | C3 | H33C | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.4° | 109.5° |
| H191 | C19 | H193 | 109.5° | 109.5° |
| H192 | C19 | H193 | 109.5° | 109.4° |
| H101 | C10 | H102 | 104.0° | 109.8° |
| H171 | C17 | H172 | 104.0° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | C4 | 121.1° | 120.1° |
| C1 | C2 | C3 | C19 | 116.7° | 120.0° |
| C1 | C2 | C4 | C19 | 119.8° | 120.0° |
| C1 | C2 | C4 | C5 | 113.6° | 0.0° |
| C1 | C2 | C4 | C21 | 65.9° | 179.7° |
| C2 | C1 | H11C | H12C | 120.0° | 120.0° |
| C2 | C1 | H11C | H13C | 120.0° | 120.0° |
| C2 | C1 | H12C | H13C | 120.0° | 120.0° |
| C1 | C2 | C3 | H31C | 38.8° | 60.0° |
| C1 | C2 | C3 | H32C | 81.2° | 180.0° |
| C1 | C2 | C3 | H33C | 158.8° | 60.0° |
| C1 | C2 | C19 | H191 | 138.4° | 60.0° |
| C1 | C2 | C19 | H192 | 18.5° | 180.0° |
| C1 | C2 | C19 | H193 | 101.5° | 60.0° |
| C3 | C2 | C4 | C19 | 120.3° | 120.0° |
| C3 | C2 | C4 | C5 | 126.6° | 120.0° |
| C3 | C2 | C4 | C21 | 53.9° | 60.2° |
| C3 | C2 | C1 | H11C | 112.7° | 60.0° |
| C3 | C2 | C1 | H12C | 127.2° | 180.0° |
| C3 | C2 | C1 | H13C | 7.2° | 60.1° |
| C2 | C3 | H31C | H32C | 120.0° | 120.0° |
| C2 | C3 | H31C | H33C | 120.0° | 120.0° |
| C2 | C3 | H32C | H33C | 120.0° | 120.0° |
| C3 | C2 | C19 | H191 | 21.5° | 60.0° |
| C3 | C2 | C19 | H192 | 98.4° | 60.0° |
| C3 | C2 | C19 | H193 | 141.6° | 180.0° |
| C2 | C4 | C5 | C21 | 179.5° | 179.8° |
| C2 | C4 | C5 | C6 | 179.7° | 180.0° |
| C2 | C4 | C21 | C20 | 179.7° | 179.7° |
| C2 | C4 | C21 | O22 | 0.4° | 0.1° |
| C4 | C2 | C1 | H11C | 8.7° | 180.0° |
| C4 | C2 | C1 | H12C | 111.4° | 60.0° |
| C4 | C2 | C1 | H13C | 128.6° | 60.0° |
| C4 | C2 | C3 | H31C | 82.3° | 60.0° |
| C4 | C2 | C3 | H32C | 157.7° | 60.0° |
| C4 | C2 | C3 | H33C | 37.7° | 180.0° |
| C4 | C2 | C19 | H191 | 100.4° | 180.0° |
| C4 | C2 | C19 | H192 | 139.7° | 60.0° |
| C4 | C2 | C19 | H193 | 19.7° | 60.0° |
| C2 | C4 | C5 | H5 | 0.2° | 0.0° |
| C19 | C2 | C4 | C5 | 6.3° | 120.0° |
| C19 | C2 | C4 | C21 | 174.3° | 59.7° |
| C19 | C2 | C1 | H11C | 130.4° | 60.0° |
| C19 | C2 | C1 | H12C | 10.4° | 60.0° |
| C19 | C2 | C1 | H13C | 109.6° | 180.0° |
| C19 | C2 | C3 | H31C | 155.5° | 180.0° |
| C19 | C2 | C3 | H32C | 35.5° | 60.0° |
| C19 | C2 | C3 | H33C | 84.5° | 60.0° |
| C2 | C19 | H191 | H192 | 120.0° | 120.0° |
| C2 | C19 | H191 | H193 | 120.0° | 120.0° |
| C2 | C19 | H192 | H193 | 120.0° | 120.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 179.7° | 180.0° |
| C4 | C5 | C6 | C18 | 0.1° | 0.0° |
| C5 | C4 | C21 | C20 | 0.3° | 0.5° |
| C5 | C4 | C21 | O22 | 179.9° | 179.7° |
| C21 | C4 | C5 | C6 | 0.2° | 0.2° |
| C4 | C21 | C20 | C18 | 0.1° | 0.5° |
| C4 | C21 | C20 | O22 | 179.9° | 179.8° |
| C21 | C4 | C5 | H5 | 179.7° | 179.7° |
| C4 | C21 | C20 | H20 | 179.9° | 179.7° |
| C4 | C21 | O22 | H22 | 101.8° | 90.0° |
| C5 | C6 | C7 | C18 | 179.8° | 180.0° |
| C5 | C6 | C7 | O8 | 130.0° | 7.3° |
| C5 | C6 | C7 | N9 | 50.5° | 172.7° |
| C5 | C6 | C18 | C20 | 0.1° | 0.0° |
| C5 | C6 | C18 | H18 | 179.9° | 180.0° |
| C6 | C7 | O8 | N9 | 179.5° | 180.0° |
| C6 | C7 | N9 | C10 | 158.3° | 174.6° |
| C6 | C7 | N9 | C17 | 37.3° | 5.1° |
| C7 | C6 | C18 | C20 | 179.9° | 180.0° |
| C7 | C6 | C5 | H5 | 0.3° | 0.0° |
| C7 | C6 | C18 | H18 | 0.1° | 0.1° |
| C18 | C6 | C7 | O8 | 50.2° | 172.7° |
| C18 | C6 | C7 | N9 | 129.3° | 7.3° |
| C6 | C18 | C20 | H18 | 180.0° | 179.9° |
| C6 | C18 | C20 | C21 | 0.1° | 0.3° |
| C18 | C6 | C5 | H5 | 179.9° | 180.0° |
| C6 | C18 | C20 | H20 | 179.9° | 180.0° |
| O8 | C7 | N9 | C10 | 22.2° | 5.4° |
| O8 | C7 | N9 | C17 | 142.2° | 174.9° |
| C7 | N9 | C10 | C17 | 166.0° | 179.7° |
| C7 | N9 | C10 | C11 | 148.2° | 180.0° |
| C7 | N9 | C17 | C16 | 148.2° | 179.9° |
| C7 | N9 | C10 | H101 | 91.8° | 60.5° |
| C7 | N9 | C10 | H102 | 25.6° | 60.4° |
| C7 | N9 | C17 | H171 | 28.2° | 60.4° |
| C7 | N9 | C17 | H172 | 89.2° | 60.5° |
| N9 | C10 | C11 | H101 | 120.0° | 119.5° |
| N9 | C10 | C11 | H102 | 122.6° | 119.6° |
| N9 | C10 | C11 | C12 | 169.6° | 180.0° |
| N9 | C10 | C11 | C16 | 10.4° | 0.0° |
| C10 | N9 | C17 | C16 | 17.9° | 0.4° |
| N9 | C10 | H101 | H102 | 122.9° | 120.9° |
| C10 | N9 | C17 | H171 | 137.9° | 119.3° |
| C10 | N9 | C17 | H172 | 104.7° | 119.8° |
| C17 | N9 | C10 | C11 | 17.8° | 0.3° |
| N9 | C17 | C16 | C11 | 10.7° | 0.4° |
| N9 | C17 | C16 | C15 | 169.4° | 179.8° |
| N9 | C17 | C16 | H171 | 120.0° | 119.6° |
| N9 | C17 | C16 | H172 | 122.6° | 119.5° |
| C17 | N9 | C10 | H101 | 102.2° | 119.8° |
| C17 | N9 | C10 | H102 | 140.4° | 119.3° |
| N9 | C17 | H171 | H172 | 122.9° | 120.9° |
| C10 | C11 | C12 | C16 | 179.9° | 180.0° |
| C10 | C11 | C12 | C13 | 179.9° | 180.0° |
| C10 | C11 | C16 | C15 | 179.9° | 180.0° |
| C10 | C11 | C16 | C17 | 0.2° | 0.2° |
| C11 | C10 | H101 | H102 | 122.9° | 120.8° |
| C10 | C11 | C12 | H12 | 0.1° | 0.0° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.1° | 0.0° |
| C12 | C11 | C16 | C15 | 0.2° | 0.0° |
| C12 | C11 | C16 | C17 | 179.7° | 179.8° |
| C12 | C11 | C10 | H101 | 70.4° | 60.5° |
| C12 | C11 | C10 | H102 | 47.0° | 60.4° |
| C11 | C12 | C13 | H13 | 179.8° | 180.0° |
| C16 | C11 | C12 | C13 | 0.2° | 0.0° |
| C11 | C16 | C15 | C14 | 0.0° | 0.1° |
| C11 | C16 | C15 | C17 | 179.9° | 179.7° |
| C16 | C11 | C10 | H101 | 109.6° | 119.6° |
| C16 | C11 | C10 | H102 | 133.0° | 119.6° |
| C11 | C16 | C17 | H171 | 130.8° | 119.2° |
| C11 | C16 | C17 | H172 | 111.8° | 119.9° |
| C16 | C11 | C12 | H12 | 179.8° | 179.9° |
| C11 | C16 | C15 | H15 | 180.0° | 180.0° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.0° | 0.1° |
| C12 | C13 | C14 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.0° | 0.1° |
| C14 | C13 | C12 | H12 | 179.9° | 179.9° |
| C13 | C14 | C15 | H15 | 179.9° | 180.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 179.8° | 179.7° |
| C15 | C14 | C13 | H13 | 180.0° | 180.0° |
| C15 | C16 | C17 | H171 | 49.3° | 60.5° |
| C15 | C16 | C17 | H172 | 68.0° | 60.3° |
| C16 | C15 | C14 | H14 | 180.0° | 180.0° |
| C16 | C17 | H171 | H172 | 122.9° | 120.8° |
| C17 | C16 | C15 | H15 | 0.1° | 0.3° |
| C18 | C20 | C21 | H20 | 180.0° | 179.8° |
| C18 | C20 | C21 | O22 | 180.0° | 179.7° |
| C21 | C20 | C18 | H18 | 180.0° | 179.8° |
| C20 | C21 | O22 | H22 | 78.4° | 89.8° |
| O22 | C21 | C20 | H20 | 0.1° | 0.1° |
| H11C | C1 | H12C | H13C | 120.0° | 120.0° |
| H31C | C3 | H32C | H33C | 120.0° | 120.0° |
| H191 | C19 | H192 | H193 | 120.0° | 120.0° |
| H18 | C18 | C20 | H20 | 0.1° | 0.0° |
| H12 | C12 | C13 | H13 | 0.1° | 0.0° |
| H13 | C13 | C14 | H14 | 0.0° | 0.1° |
| H14 | C14 | C15 | H15 | 0.0° | 0.1° |
