T9C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C3 | sing | 1.51Å | 1.54Å | |
| C2 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
| C2 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.41Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C10 | sing | 1.51Å | 1.54Å | |
| C5 | N8 | sing | 1.39Å | 1.41Å | |
| C20 | N19 | sing | 1.35Å | 1.30Å | Aromatic |
| C20 | C21 | doub | 1.35Å | 1.34Å | Aromatic |
| O18 | C17 | sing | 1.36Å | 1.39Å | |
| N8 | C9 | sing | 1.34Å | 1.34Å | |
| C10 | C12 | sing | 1.51Å | 1.54Å | |
| C10 | C21 | sing | 1.51Å | 1.51Å | |
| C10 | C9 | sing | 1.51Å | 1.54Å | |
| C17 | C12 | doub | 1.39Å | 1.41Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| N19 | N23 | sing | 1.40Å | 1.35Å | Aromatic |
| C21 | C22 | sing | 1.40Å | 1.47Å | Aromatic |
| C26 | C27 | sing | 1.40Å | 1.40Å | Aromatic |
| C13 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| C9 | O11 | doub | 1.21Å | 1.21Å | |
| C14 | C24 | sing | 1.48Å | 1.48Å | |
| C24 | C29 | doub | 1.41Å | 1.41Å | Aromatic |
| O34 | C31 | doub | 1.21Å | 1.33Å | |
| C27 | C31 | sing | 1.48Å | 1.51Å | |
| C27 | C28 | doub | 1.39Å | 1.41Å | Aromatic |
| N23 | C22 | doub | 1.31Å | 1.27Å | Aromatic |
| C31 | O33 | sing | 1.35Å | 1.22Å | |
| C29 | C28 | sing | 1.39Å | 1.40Å | Aromatic |
| C29 | C30 | sing | 1.47Å | 1.51Å | |
| C30 | O35 | doub | 1.21Å | 1.33Å | |
| C30 | O32 | sing | 1.35Å | 1.22Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C20 | H8 | sing | 1.08Å | 1.08Å | |
| C22 | H9 | sing | 1.08Å | 1.08Å | |
| C25 | H10 | sing | 1.08Å | 1.08Å | |
| C26 | H11 | sing | 1.08Å | 1.08Å | |
| C28 | H12 | sing | 1.08Å | 1.08Å | |
| C4 | H13 | sing | 1.08Å | 1.08Å | |
| C7 | H14 | sing | 1.08Å | 1.08Å | |
| N19 | H15 | sing | 0.97Å | 1.00Å | |
| N8 | H16 | sing | 0.97Å | 1.00Å | |
| O18 | H17 | sing | 0.97Å | 0.95Å | |
| O32 | H18 | sing | 0.97Å | 0.95Å | |
| O33 | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C3 | C2 | 120.5° | 119.8° |
| C1 | C3 | C4 | 118.9° | 119.8° |
| C3 | C1 | H1 | 109.5° | 109.5° |
| C3 | C1 | H2 | 109.4° | 109.5° |
| C3 | C1 | H3 | 109.5° | 109.4° |
| C3 | C2 | C7 | 121.5° | 119.8° |
| C2 | C3 | C4 | 120.6° | 120.4° |
| C3 | C2 | H4 | 119.2° | 120.1° |
| C2 | C7 | C6 | 117.1° | 119.9° |
| C7 | C2 | H4 | 119.3° | 120.1° |
| C2 | C7 | H14 | 121.5° | 120.0° |
| C3 | C4 | C5 | 117.2° | 120.1° |
| C3 | C4 | H13 | 121.4° | 119.9° |
| C7 | C6 | C5 | 121.4° | 120.8° |
| C7 | C6 | C10 | 132.1° | 132.8° |
| C6 | C7 | H14 | 121.5° | 120.0° |
| C4 | C5 | C6 | 122.2° | 119.0° |
| C4 | C5 | N8 | 125.5° | 130.8° |
| C5 | C4 | H13 | 121.4° | 120.0° |
| C5 | C6 | C10 | 106.1° | 106.4° |
| C6 | C5 | N8 | 112.3° | 110.2° |
| C6 | C10 | C12 | 111.5° | 110.5° |
| C6 | C10 | C21 | 109.6° | 110.7° |
| C6 | C10 | C9 | 101.4° | 104.1° |
| C5 | N8 | C9 | 109.4° | 112.3° |
| C5 | N8 | H16 | 125.3° | 123.9° |
| N19 | C20 | C21 | 109.2° | 107.7° |
| C20 | N19 | N23 | 108.6° | 108.0° |
| N19 | C20 | H8 | 125.5° | 126.1° |
| C20 | N19 | H15 | 125.7° | 126.0° |
| C20 | C21 | C10 | 126.3° | 126.1° |
| C20 | C21 | C22 | 105.6° | 107.9° |
| C21 | C20 | H8 | 125.4° | 126.2° |
| O18 | C17 | C12 | 120.7° | 119.9° |
| O18 | C17 | C16 | 118.7° | 119.9° |
| C17 | O18 | H17 | 109.5° | 114.0° |
| N8 | C9 | C10 | 110.1° | 107.0° |
| N8 | C9 | O11 | 126.3° | 126.5° |
| C9 | N8 | H16 | 125.3° | 123.8° |
| C12 | C10 | C21 | 115.2° | 110.4° |
| C12 | C10 | C9 | 114.3° | 110.5° |
| C10 | C12 | C17 | 119.9° | 119.9° |
| C10 | C12 | C13 | 120.8° | 120.0° |
| C21 | C10 | C9 | 103.8° | 110.5° |
| C10 | C21 | C22 | 128.0° | 126.0° |
| C10 | C9 | O11 | 123.6° | 126.5° |
| C12 | C17 | C16 | 120.6° | 120.2° |
| C17 | C12 | C13 | 119.2° | 120.1° |
| C17 | C16 | C15 | 119.4° | 120.1° |
| C17 | C16 | H7 | 120.3° | 120.0° |
| C12 | C13 | C14 | 119.9° | 120.0° |
| C12 | C13 | H5 | 120.1° | 120.0° |
| C26 | C25 | C24 | 119.8° | 120.2° |
| C25 | C26 | C27 | 120.0° | 120.3° |
| C26 | C25 | H10 | 120.1° | 119.9° |
| C25 | C26 | H11 | 120.0° | 119.8° |
| C25 | C24 | C14 | 117.4° | 120.1° |
| C25 | C24 | C29 | 120.8° | 119.9° |
| C24 | C25 | H10 | 120.1° | 119.9° |
| C16 | C15 | C14 | 120.3° | 119.9° |
| C16 | C15 | H6 | 119.9° | 120.0° |
| C15 | C16 | H7 | 120.3° | 120.0° |
| N19 | N23 | C22 | 112.0° | 108.2° |
| N23 | N19 | H15 | 125.7° | 126.1° |
| C21 | C22 | N23 | 104.7° | 108.2° |
| C21 | C22 | H9 | 127.7° | 125.9° |
| C26 | C27 | C31 | 119.9° | 119.9° |
| C26 | C27 | C28 | 120.3° | 120.1° |
| C27 | C26 | H11 | 120.0° | 119.9° |
| C13 | C14 | C15 | 120.4° | 119.8° |
| C13 | C14 | C24 | 121.3° | 120.1° |
| C14 | C13 | H5 | 120.0° | 120.0° |
| C15 | C14 | C24 | 118.1° | 120.1° |
| C14 | C15 | H6 | 119.9° | 120.1° |
| C14 | C24 | C29 | 121.6° | 120.0° |
| C24 | C29 | C28 | 118.8° | 119.6° |
| C24 | C29 | C30 | 122.4° | 120.2° |
| O34 | C31 | C27 | 119.6° | 120.0° |
| O34 | C31 | O33 | 121.6° | 120.0° |
| C31 | C27 | C28 | 119.8° | 120.0° |
| C27 | C31 | O33 | 118.7° | 120.0° |
| C27 | C28 | C29 | 120.1° | 119.9° |
| C27 | C28 | H12 | 119.9° | 120.1° |
| N23 | C22 | H9 | 127.7° | 125.9° |
| C31 | O33 | H19 | 109.5° | 117.0° |
| C28 | C29 | C30 | 118.2° | 120.2° |
| C29 | C28 | H12 | 120.0° | 120.0° |
| C29 | C30 | O35 | 120.7° | 120.0° |
| C29 | C30 | O32 | 120.3° | 120.0° |
| O35 | C30 | O32 | 119.0° | 120.0° |
| C30 | O32 | H18 | 109.5° | 117.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C3 | C2 | C4 | 178.3° | 179.9° |
| C1 | C3 | C2 | C7 | 179.8° | 180.0° |
| C1 | C3 | C4 | C5 | 179.3° | 180.0° |
| C3 | C1 | H1 | H2 | 120.0° | 120.1° |
| C3 | C1 | H1 | H3 | 120.0° | 120.0° |
| C3 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C3 | C2 | H4 | 0.2° | 0.4° |
| C1 | C3 | C4 | H13 | 0.7° | 0.1° |
| C3 | C2 | C7 | H4 | 180.0° | 179.6° |
| C3 | C2 | C7 | C6 | 1.9° | 0.1° |
| C2 | C3 | C4 | C5 | 0.9° | 0.1° |
| C2 | C3 | C1 | H1 | 89.1° | 90.0° |
| C2 | C3 | C1 | H2 | 150.8° | 149.9° |
| C2 | C3 | C1 | H3 | 30.9° | 30.0° |
| C2 | C3 | C4 | H13 | 179.1° | 180.0° |
| C3 | C2 | C7 | H14 | 178.1° | 180.0° |
| C7 | C2 | C3 | C4 | 1.5° | 0.1° |
| C2 | C7 | C6 | H14 | 180.0° | 179.9° |
| C2 | C7 | C6 | C5 | 1.9° | 0.1° |
| C2 | C7 | C6 | C10 | 173.7° | 179.9° |
| C3 | C4 | C5 | H13 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.9° | 0.1° |
| C3 | C4 | C5 | N8 | 178.0° | 180.0° |
| C4 | C3 | C1 | H1 | 89.2° | 90.1° |
| C4 | C3 | C1 | H2 | 30.8° | 30.0° |
| C4 | C3 | C1 | H3 | 150.8° | 149.9° |
| C4 | C3 | C2 | H4 | 178.5° | 179.7° |
| C7 | C6 | C5 | C4 | 1.5° | 0.0° |
| C7 | C6 | C5 | C10 | 173.7° | 180.0° |
| C7 | C6 | C5 | N8 | 177.6° | 180.0° |
| C7 | C6 | C10 | C12 | 58.3° | 61.3° |
| C7 | C6 | C10 | C21 | 70.4° | 61.3° |
| C7 | C6 | C10 | C9 | 179.6° | 180.0° |
| C6 | C7 | C2 | H4 | 178.1° | 179.7° |
| C4 | C5 | C6 | N8 | 179.0° | 180.0° |
| C4 | C5 | C6 | C10 | 175.1° | 180.0° |
| C4 | C5 | N8 | C9 | 179.6° | 180.0° |
| C4 | C5 | N8 | H16 | 0.4° | 0.0° |
| C6 | C5 | N8 | C9 | 1.4° | 0.0° |
| C5 | C6 | C10 | C12 | 129.0° | 118.7° |
| C5 | C6 | C10 | C21 | 102.3° | 118.7° |
| C5 | C6 | C10 | C9 | 6.9° | 0.0° |
| C6 | C5 | C4 | H13 | 179.1° | 180.0° |
| C5 | C6 | C7 | H14 | 178.1° | 180.0° |
| C6 | C5 | N8 | H16 | 178.6° | 179.9° |
| C10 | C6 | C5 | N8 | 3.9° | 0.0° |
| C6 | C10 | C21 | C20 | 2.2° | 178.1° |
| C6 | C10 | C9 | N8 | 8.1° | 0.0° |
| C6 | C10 | C12 | C21 | 125.7° | 122.8° |
| C6 | C10 | C12 | C9 | 114.2° | 114.7° |
| C6 | C10 | C21 | C9 | 107.6° | 114.7° |
| C6 | C10 | C12 | C17 | 68.7° | 58.2° |
| C6 | C10 | C12 | C13 | 113.8° | 122.1° |
| C6 | C10 | C21 | C22 | 174.2° | 2.0° |
| C6 | C10 | C9 | O11 | 175.3° | 180.0° |
| C10 | C6 | C7 | H14 | 6.3° | 0.0° |
| C5 | N8 | C9 | H16 | 180.0° | 179.9° |
| C5 | N8 | C9 | C10 | 6.3° | 0.0° |
| C5 | N8 | C9 | O11 | 177.3° | 180.0° |
| N8 | C5 | C4 | H13 | 2.0° | 0.0° |
| N19 | C20 | C21 | H8 | 180.0° | 179.7° |
| N19 | C20 | C21 | C10 | 178.5° | 180.0° |
| C20 | N19 | N23 | H15 | 180.0° | 179.9° |
| N19 | C20 | C21 | C22 | 1.5° | 0.0° |
| C20 | N19 | N23 | C22 | 0.4° | 0.0° |
| C20 | C21 | C10 | C12 | 124.5° | 59.2° |
| C20 | C21 | C10 | C22 | 176.4° | 180.0° |
| C20 | C21 | C10 | C9 | 109.8° | 63.3° |
| C21 | C20 | N19 | N23 | 0.8° | 0.0° |
| C20 | C21 | C22 | N23 | 1.7° | 0.0° |
| C20 | C21 | C22 | H9 | 178.3° | 179.9° |
| C21 | C20 | N19 | H15 | 179.2° | 179.9° |
| O18 | C17 | C12 | C10 | 2.5° | 0.2° |
| O18 | C17 | C12 | C16 | 179.1° | 180.0° |
| O18 | C17 | C12 | C13 | 180.0° | 180.0° |
| O18 | C17 | C16 | C15 | 178.5° | 179.9° |
| O18 | C17 | C16 | H7 | 1.4° | 0.0° |
| N8 | C9 | C10 | C12 | 128.2° | 118.7° |
| N8 | C9 | C10 | C21 | 105.5° | 118.8° |
| N8 | C9 | C10 | O11 | 176.6° | 180.0° |
| C12 | C10 | C21 | C9 | 125.7° | 122.5° |
| C10 | C12 | C17 | C13 | 177.5° | 179.7° |
| C10 | C12 | C17 | C16 | 176.7° | 179.8° |
| C12 | C10 | C21 | C22 | 59.1° | 120.7° |
| C10 | C12 | C13 | C14 | 176.4° | 179.8° |
| C12 | C10 | C9 | O11 | 55.2° | 61.3° |
| C10 | C12 | C13 | H5 | 3.6° | 0.3° |
| C21 | C10 | C12 | C17 | 165.6° | 179.0° |
| C21 | C10 | C12 | C13 | 11.9° | 0.8° |
| C21 | C10 | C9 | O11 | 71.0° | 61.2° |
| C10 | C21 | C22 | N23 | 178.7° | 180.0° |
| C10 | C21 | C20 | H8 | 1.5° | 0.3° |
| C10 | C21 | C22 | H9 | 1.4° | 0.1° |
| C9 | C10 | C12 | C17 | 45.5° | 56.5° |
| C9 | C10 | C12 | C13 | 131.9° | 123.3° |
| C9 | C10 | C21 | C22 | 66.6° | 116.7° |
| C10 | C9 | N8 | H16 | 173.7° | 179.9° |
| C12 | C17 | C16 | C15 | 2.3° | 0.1° |
| C17 | C12 | C13 | C14 | 1.1° | 0.0° |
| C17 | C12 | C13 | H5 | 178.9° | 180.0° |
| C12 | C17 | C16 | H7 | 177.7° | 180.0° |
| C12 | C17 | O18 | H17 | 180.0° | 90.0° |
| C16 | C17 | C12 | C13 | 0.8° | 0.1° |
| C17 | C16 | C15 | H7 | 180.0° | 179.9° |
| C17 | C16 | C15 | C14 | 4.0° | 0.1° |
| C17 | C16 | C15 | H6 | 176.0° | 180.0° |
| C16 | C17 | O18 | H17 | 0.8° | 90.0° |
| C12 | C13 | C14 | H5 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 2.9° | 0.0° |
| C12 | C13 | C14 | C24 | 178.2° | 180.0° |
| C26 | C25 | C24 | H10 | 180.0° | 180.0° |
| C25 | C26 | C27 | H11 | 180.0° | 180.0° |
| C26 | C25 | C24 | C14 | 179.0° | 180.0° |
| C26 | C25 | C24 | C29 | 2.7° | 0.2° |
| C25 | C26 | C27 | C31 | 178.0° | 180.0° |
| C25 | C26 | C27 | C28 | 2.6° | 0.0° |
| C24 | C25 | C26 | C27 | 2.6° | 0.0° |
| C25 | C24 | C14 | C13 | 53.5° | 58.2° |
| C25 | C24 | C14 | C15 | 121.9° | 121.8° |
| C25 | C24 | C14 | C29 | 176.2° | 179.8° |
| C25 | C24 | C29 | C28 | 2.9° | 0.5° |
| C25 | C24 | C29 | C30 | 174.3° | 179.7° |
| C24 | C25 | C26 | H11 | 177.4° | 180.0° |
| C16 | C15 | C14 | C13 | 4.3° | 0.1° |
| C16 | C15 | C14 | H6 | 180.0° | 179.9° |
| C16 | C15 | C14 | C24 | 179.8° | 179.9° |
| N19 | N23 | C22 | C21 | 1.3° | 0.0° |
| N23 | N19 | C20 | H8 | 179.2° | 179.7° |
| N19 | N23 | C22 | H9 | 178.7° | 179.9° |
| C21 | C22 | N23 | H9 | 180.0° | 179.9° |
| C22 | C21 | C20 | H8 | 178.5° | 179.7° |
| C26 | C27 | C31 | O34 | 21.1° | 180.0° |
| C26 | C27 | C31 | C28 | 179.5° | 180.0° |
| C26 | C27 | C31 | O33 | 160.0° | 0.0° |
| C26 | C27 | C28 | C29 | 2.8° | 0.3° |
| C27 | C26 | C25 | H10 | 177.4° | 180.0° |
| C26 | C27 | C28 | H12 | 177.2° | 179.9° |
| C13 | C14 | C15 | C24 | 175.5° | 180.0° |
| C13 | C14 | C24 | C29 | 130.2° | 122.0° |
| C13 | C14 | C15 | H6 | 175.6° | 180.0° |
| C15 | C14 | C24 | C29 | 54.3° | 58.0° |
| C15 | C14 | C13 | H5 | 177.2° | 180.0° |
| C14 | C15 | C16 | H7 | 176.0° | 180.0° |
| O11 | C9 | N8 | H16 | 2.8° | 0.0° |
| C14 | C24 | C29 | C28 | 179.0° | 179.7° |
| C14 | C24 | C29 | C30 | 9.7° | 0.1° |
| C24 | C14 | C13 | H5 | 1.8° | 0.0° |
| C24 | C14 | C15 | H6 | 0.1° | 0.0° |
| C14 | C24 | C25 | H10 | 1.0° | 0.0° |
| C24 | C29 | C28 | C27 | 2.9° | 0.5° |
| C24 | C29 | C28 | C30 | 171.7° | 179.8° |
| C24 | C29 | C30 | O35 | 129.2° | 6.4° |
| C24 | C29 | C30 | O32 | 53.1° | 173.7° |
| C29 | C24 | C25 | H10 | 177.2° | 179.7° |
| C24 | C29 | C28 | H12 | 177.1° | 179.7° |
| O34 | C31 | C27 | O33 | 178.9° | 180.0° |
| O34 | C31 | C27 | C28 | 158.4° | 0.0° |
| O34 | C31 | O33 | H19 | 0.0° | 0.1° |
| C31 | C27 | C28 | C29 | 177.8° | 179.8° |
| C31 | C27 | C26 | H11 | 2.0° | 0.1° |
| C31 | C27 | C28 | H12 | 2.2° | 0.0° |
| C27 | C31 | O33 | H19 | 178.8° | 179.9° |
| C28 | C27 | C31 | O33 | 20.5° | 180.0° |
| C27 | C28 | C29 | H12 | 180.0° | 179.8° |
| C27 | C28 | C29 | C30 | 174.6° | 179.7° |
| C28 | C27 | C26 | H11 | 177.4° | 180.0° |
| C22 | N23 | N19 | H15 | 179.6° | 179.9° |
| C28 | C29 | C30 | O35 | 59.4° | 173.4° |
| C28 | C29 | C30 | O32 | 118.3° | 6.4° |
| C29 | C30 | O35 | O32 | 177.7° | 179.9° |
| C30 | C29 | C28 | H12 | 5.4° | 0.1° |
| C29 | C30 | O32 | H18 | 177.8° | 180.0° |
| O35 | C30 | O32 | H18 | 0.0° | 0.1° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C2 | C7 | H14 | 1.9° | 0.4° |
| H6 | C15 | C16 | H7 | 4.0° | 0.1° |
| H8 | C20 | N19 | H15 | 0.8° | 0.2° |
| H10 | C25 | C26 | H11 | 2.6° | 0.0° |
