Q7M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | doub | 1.36Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.41Å | 1.37Å | Aromatic |
| C1 | C6 | doub | 1.36Å | 1.38Å | Aromatic |
| C31 | C32 | doub | 1.38Å | 1.35Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.36Å | Aromatic |
| C32 | C27 | sing | 1.39Å | 1.37Å | Aromatic |
| C4 | N13 | doub | 1.34Å | 1.35Å | Aromatic |
| C4 | C5 | sing | 1.42Å | 1.48Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.38Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.35Å | Aromatic |
| N26 | C27 | sing | 1.40Å | 1.37Å | |
| N26 | C25 | sing | 1.35Å | 1.33Å | |
| C27 | C28 | doub | 1.39Å | 1.42Å | Aromatic |
| N13 | C12 | sing | 1.32Å | 1.33Å | Aromatic |
| C5 | N7 | doub | 1.34Å | 1.32Å | Aromatic |
| N24 | C25 | sing | 1.35Å | 1.33Å | |
| N24 | C17 | sing | 1.40Å | 1.36Å | |
| C25 | O34 | doub | 1.21Å | 1.19Å | |
| C29 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C29 | C33 | sing | 1.51Å | 1.48Å | |
| C17 | C16 | doub | 1.39Å | 1.36Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.38Å | Aromatic |
| F36 | C33 | sing | 1.40Å | 1.27Å | |
| C16 | C15 | sing | 1.38Å | 1.36Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C8 | doub | 1.47Å | 1.48Å | Aromatic |
| C12 | N11 | sing | 1.38Å | 1.31Å | Aromatic |
| N7 | C8 | sing | 1.32Å | 1.33Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.37Å | Aromatic |
| C19 | C14 | sing | 1.39Å | 1.38Å | Aromatic |
| C33 | F35 | sing | 1.40Å | 1.26Å | |
| C33 | F37 | sing | 1.40Å | 1.24Å | |
| C14 | N11 | sing | 1.40Å | 1.32Å | |
| C8 | C9 | sing | 1.47Å | 1.48Å | Aromatic |
| N11 | C10 | sing | 1.36Å | 1.34Å | Aromatic |
| C10 | C9 | doub | 1.39Å | 1.48Å | Aromatic |
| C10 | N21 | sing | 1.37Å | 1.34Å | |
| C9 | C22 | sing | 1.46Å | 1.50Å | |
| N4 | C22 | sing | 1.35Å | 1.31Å | |
| C22 | O23 | doub | 1.22Å | 1.21Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| N26 | HN26 | sing | 0.97Å | 1.00Å | |
| N24 | HN24 | sing | 0.97Å | 1.00Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| N21 | H212 | sing | 0.97Å | 1.00Å | |
| N21 | H211 | sing | 0.97Å | 1.00Å | |
| N4 | HN41 | sing | 0.97Å | 1.00Å | |
| N4 | HN42 | sing | 0.97Å | 1.00Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C1 | 121.4° | 120.9° |
| C2 | C3 | C4 | 120.1° | 119.9° |
| C2 | C3 | H3 | 119.9° | 120.1° |
| C3 | C2 | H2 | 119.3° | 119.5° |
| C2 | C1 | C6 | 121.2° | 120.9° |
| C1 | C2 | H2 | 119.3° | 119.5° |
| C2 | C1 | H1 | 119.4° | 119.5° |
| C3 | C4 | N13 | 120.7° | 120.3° |
| C3 | C4 | C5 | 118.2° | 119.1° |
| C4 | C3 | H3 | 119.9° | 120.0° |
| C1 | C6 | C5 | 119.3° | 119.8° |
| C6 | C1 | H1 | 119.4° | 119.6° |
| C1 | C6 | H6 | 120.4° | 120.0° |
| C32 | C31 | C30 | 120.9° | 120.0° |
| C31 | C32 | C27 | 120.9° | 120.0° |
| C32 | C31 | H31 | 119.5° | 120.0° |
| C31 | C32 | H32 | 119.5° | 120.0° |
| C31 | C30 | C29 | 121.1° | 120.2° |
| C31 | C30 | H30 | 119.5° | 119.9° |
| C30 | C31 | H31 | 119.6° | 120.0° |
| C32 | C27 | N26 | 114.4° | 120.1° |
| C32 | C27 | C28 | 117.6° | 119.8° |
| C27 | C32 | H32 | 119.5° | 120.0° |
| N13 | C4 | C5 | 121.1° | 120.6° |
| C4 | N13 | C12 | 118.7° | 119.9° |
| C4 | C5 | C6 | 119.7° | 119.3° |
| C4 | C5 | N7 | 120.2° | 120.4° |
| C6 | C5 | N7 | 120.1° | 120.3° |
| C5 | C6 | H6 | 120.4° | 120.1° |
| C30 | C29 | C28 | 119.1° | 120.1° |
| C30 | C29 | C33 | 115.6° | 119.9° |
| C29 | C30 | H30 | 119.5° | 120.0° |
| C27 | N26 | C25 | 124.7° | 120.0° |
| N26 | C27 | C28 | 127.9° | 120.1° |
| C27 | N26 | HN26 | 117.7° | 120.0° |
| N26 | C25 | N24 | 116.7° | 120.0° |
| N26 | C25 | O34 | 121.1° | 120.0° |
| C25 | N26 | HN26 | 117.7° | 120.0° |
| C27 | C28 | C29 | 120.3° | 119.9° |
| C27 | C28 | H28 | 119.8° | 120.1° |
| N13 | C12 | C8 | 119.3° | 119.4° |
| N13 | C12 | N11 | 133.9° | 133.6° |
| C5 | N7 | C8 | 118.4° | 119.6° |
| C25 | N24 | C17 | 127.4° | 120.0° |
| N24 | C25 | O34 | 122.1° | 120.1° |
| C25 | N24 | HN24 | 116.3° | 120.0° |
| N24 | C17 | C16 | 125.3° | 120.0° |
| N24 | C17 | C18 | 119.5° | 120.0° |
| C17 | N24 | HN24 | 116.3° | 119.9° |
| C28 | C29 | C33 | 125.2° | 120.0° |
| C29 | C28 | H28 | 119.8° | 120.0° |
| C29 | C33 | F36 | 114.5° | 109.5° |
| C29 | C33 | F35 | 116.4° | 109.5° |
| C29 | C33 | F37 | 109.4° | 109.5° |
| C16 | C17 | C18 | 115.1° | 120.0° |
| C17 | C16 | C15 | 121.9° | 120.0° |
| C17 | C16 | H16 | 119.0° | 120.0° |
| C17 | C18 | C19 | 122.0° | 120.0° |
| C17 | C18 | H18 | 119.0° | 120.0° |
| F36 | C33 | F35 | 114.4° | 109.5° |
| F36 | C33 | F37 | 101.1° | 109.5° |
| C16 | C15 | C14 | 125.4° | 119.9° |
| C15 | C16 | H16 | 119.1° | 120.0° |
| C16 | C15 | H15 | 117.3° | 120.1° |
| C18 | C19 | C14 | 122.5° | 120.0° |
| C19 | C18 | H18 | 119.0° | 120.0° |
| C18 | C19 | H19 | 118.7° | 120.0° |
| C8 | C12 | N11 | 106.6° | 107.0° |
| C12 | C8 | N7 | 122.3° | 120.2° |
| C12 | C8 | C9 | 107.8° | 105.4° |
| C12 | N11 | C14 | 117.8° | 124.7° |
| C12 | N11 | C10 | 114.0° | 110.7° |
| N7 | C8 | C9 | 129.9° | 134.5° |
| C15 | C14 | C19 | 113.0° | 120.1° |
| C15 | C14 | N11 | 114.8° | 119.9° |
| C14 | C15 | H15 | 117.3° | 120.0° |
| C19 | C14 | N11 | 132.3° | 120.0° |
| C14 | C19 | H19 | 118.7° | 120.0° |
| F35 | C33 | F37 | 98.4° | 109.5° |
| C14 | N11 | C10 | 126.9° | 124.6° |
| C8 | C9 | C10 | 101.4° | 106.5° |
| C8 | C9 | C22 | 124.0° | 126.7° |
| N11 | C10 | C9 | 109.8° | 110.4° |
| N11 | C10 | N21 | 124.8° | 124.7° |
| C9 | C10 | N21 | 125.2° | 124.8° |
| C10 | C9 | C22 | 134.6° | 126.8° |
| C10 | N21 | H212 | 109.5° | 120.0° |
| C10 | N21 | H211 | 109.5° | 119.9° |
| C9 | C22 | N4 | 121.7° | 120.0° |
| C9 | C22 | O23 | 122.7° | 120.0° |
| N4 | C22 | O23 | 115.5° | 120.0° |
| C22 | N4 | HN41 | 120.0° | 120.0° |
| C22 | N4 | HN42 | 120.0° | 120.1° |
| H212 | N21 | H211 | 109.5° | 120.1° |
| HN41 | N4 | HN42 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C1 | H2 | 180.0° | 179.9° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C3 | C2 | C1 | C6 | 0.7° | 0.1° |
| C2 | C3 | C4 | N13 | 179.7° | 179.9° |
| C2 | C3 | C4 | C5 | 1.1° | 0.0° |
| C3 | C2 | C1 | H1 | 179.3° | 179.9° |
| C1 | C2 | C3 | C4 | 0.2° | 0.1° |
| C2 | C1 | C6 | H1 | 180.0° | 180.0° |
| C2 | C1 | C6 | C5 | 0.6° | 0.0° |
| C1 | C2 | C3 | H3 | 179.8° | 180.0° |
| C2 | C1 | C6 | H6 | 179.4° | 180.0° |
| C3 | C4 | N13 | C5 | 178.5° | 179.9° |
| C3 | C4 | C5 | C6 | 1.2° | 0.0° |
| C3 | C4 | N13 | C12 | 179.2° | 180.0° |
| C3 | C4 | C5 | N7 | 179.7° | 179.9° |
| C4 | C3 | C2 | H2 | 179.8° | 180.0° |
| C1 | C6 | C5 | C4 | 0.4° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | N7 | 178.8° | 179.9° |
| C6 | C1 | C2 | H2 | 179.3° | 180.0° |
| C32 | C31 | C30 | H31 | 180.0° | 179.8° |
| C31 | C32 | C27 | H32 | 180.0° | 179.8° |
| C32 | C31 | C30 | C29 | 1.6° | 0.1° |
| C31 | C32 | C27 | N26 | 175.7° | 180.0° |
| C31 | C32 | C27 | C28 | 0.9° | 0.5° |
| C32 | C31 | C30 | H30 | 178.4° | 180.0° |
| C30 | C31 | C32 | C27 | 0.9° | 0.2° |
| C31 | C30 | C29 | H30 | 180.0° | 179.9° |
| C31 | C30 | C29 | C28 | 2.2° | 0.1° |
| C31 | C30 | C29 | C33 | 179.6° | 179.7° |
| C30 | C31 | C32 | H32 | 179.1° | 180.0° |
| C32 | C27 | N26 | C28 | 176.2° | 179.5° |
| C32 | C27 | N26 | C25 | 160.0° | 145.0° |
| C32 | C27 | C28 | C29 | 1.5° | 0.5° |
| C32 | C27 | C28 | H28 | 178.4° | 179.5° |
| C27 | C32 | C31 | H31 | 179.1° | 180.0° |
| C32 | C27 | N26 | HN26 | 20.0° | 35.1° |
| N13 | C4 | C5 | C6 | 179.8° | 180.0° |
| N13 | C4 | C5 | N7 | 1.8° | 0.1° |
| C4 | N13 | C12 | C8 | 0.6° | 0.0° |
| C4 | N13 | C12 | N11 | 175.0° | 179.8° |
| N13 | C4 | C3 | H3 | 0.3° | 0.0° |
| C4 | C5 | C6 | N7 | 178.4° | 179.9° |
| C5 | C4 | N13 | C12 | 0.7° | 0.0° |
| C4 | C5 | N7 | C8 | 1.3° | 0.2° |
| C5 | C4 | C3 | H3 | 178.9° | 180.0° |
| C4 | C5 | C6 | H6 | 179.6° | 180.0° |
| C6 | C5 | N7 | C8 | 179.8° | 179.9° |
| C5 | C6 | C1 | H1 | 179.4° | 180.0° |
| C30 | C29 | C28 | C27 | 2.2° | 0.2° |
| C30 | C29 | C28 | C33 | 177.1° | 179.8° |
| C30 | C29 | C33 | F36 | 30.5° | 90.3° |
| C30 | C29 | C33 | F35 | 167.5° | 29.7° |
| C30 | C29 | C33 | F37 | 82.1° | 149.7° |
| C30 | C29 | C28 | H28 | 177.8° | 179.8° |
| C29 | C30 | C31 | H31 | 178.4° | 179.7° |
| C27 | N26 | C25 | HN26 | 180.0° | 179.9° |
| C27 | N26 | C25 | N24 | 173.5° | 175.4° |
| C27 | N26 | C25 | O34 | 6.1° | 4.6° |
| N26 | C27 | C28 | C29 | 174.5° | 180.0° |
| N26 | C27 | C28 | H28 | 5.5° | 0.0° |
| N26 | C27 | C32 | H32 | 4.3° | 0.2° |
| C25 | N26 | C27 | C28 | 16.2° | 35.5° |
| N26 | C25 | N24 | O34 | 179.6° | 180.0° |
| N26 | C25 | N24 | C17 | 174.8° | 175.4° |
| N26 | C25 | N24 | HN24 | 5.2° | 4.6° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | C33 | 179.3° | 180.0° |
| C28 | C27 | C32 | H32 | 179.1° | 179.7° |
| C28 | C27 | N26 | HN26 | 163.8° | 144.4° |
| N13 | C12 | C8 | N11 | 175.8° | 179.9° |
| N13 | C12 | C8 | N7 | 1.1° | 0.2° |
| N13 | C12 | N11 | C14 | 11.0° | 0.3° |
| N13 | C12 | C8 | C9 | 179.1° | 180.0° |
| N13 | C12 | N11 | C10 | 178.9° | 179.9° |
| C5 | N7 | C8 | C12 | 0.0° | 0.3° |
| C5 | N7 | C8 | C9 | 179.8° | 180.0° |
| N7 | C5 | C6 | H6 | 1.2° | 0.1° |
| C25 | N24 | C17 | HN24 | 180.0° | 180.0° |
| C25 | N24 | C17 | C16 | 15.7° | 144.9° |
| C25 | N24 | C17 | C18 | 162.0° | 35.3° |
| N24 | C25 | N26 | HN26 | 6.5° | 4.7° |
| C17 | N24 | C25 | O34 | 5.6° | 4.6° |
| N24 | C17 | C16 | C18 | 177.7° | 179.7° |
| N24 | C17 | C16 | C15 | 177.2° | 180.0° |
| N24 | C17 | C18 | C19 | 176.9° | 179.9° |
| N24 | C17 | C16 | H16 | 2.8° | 0.0° |
| N24 | C17 | C18 | H18 | 3.1° | 0.0° |
| O34 | C25 | N26 | HN26 | 173.9° | 175.3° |
| O34 | C25 | N24 | HN24 | 174.4° | 175.4° |
| C28 | C29 | C33 | F36 | 152.4° | 90.0° |
| C28 | C29 | C33 | F35 | 15.3° | 150.0° |
| C28 | C29 | C33 | F37 | 95.0° | 30.0° |
| C28 | C29 | C30 | H30 | 177.8° | 180.0° |
| C29 | C33 | F36 | F35 | 137.9° | 120.0° |
| C29 | C33 | F36 | F37 | 117.4° | 120.0° |
| C29 | C33 | F35 | F37 | 116.6° | 120.0° |
| C33 | C29 | C28 | H28 | 0.7° | 0.0° |
| C33 | C29 | C30 | H30 | 0.5° | 0.3° |
| C17 | C16 | C15 | H16 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 1.0° | 0.3° |
| C17 | C16 | C15 | C14 | 0.1° | 0.0° |
| C16 | C17 | N24 | HN24 | 164.3° | 35.1° |
| C17 | C16 | C15 | H15 | 180.0° | 180.0° |
| C16 | C17 | C18 | H18 | 179.0° | 179.7° |
| C18 | C17 | C16 | C15 | 0.5° | 0.3° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C14 | 1.0° | 0.1° |
| C18 | C17 | N24 | HN24 | 18.1° | 144.7° |
| C18 | C17 | C16 | H16 | 179.5° | 179.7° |
| C17 | C18 | C19 | H19 | 179.0° | 179.9° |
| F36 | C33 | F35 | F37 | 106.3° | 120.0° |
| C16 | C15 | C14 | H15 | 180.0° | 180.0° |
| C16 | C15 | C14 | C19 | 0.1° | 0.3° |
| C16 | C15 | C14 | N11 | 179.5° | 179.9° |
| C18 | C19 | C14 | C15 | 0.4° | 0.2° |
| C18 | C19 | C14 | H19 | 180.0° | 179.9° |
| C18 | C19 | C14 | N11 | 179.9° | 180.0° |
| C12 | C8 | N7 | C9 | 179.8° | 179.7° |
| C8 | C12 | N11 | C14 | 174.1° | 179.9° |
| C8 | C12 | N11 | C10 | 6.2° | 0.2° |
| C12 | C8 | C9 | C10 | 0.4° | 0.0° |
| C12 | C8 | C9 | C22 | 178.2° | 179.9° |
| N11 | C12 | C8 | N7 | 176.8° | 180.0° |
| C12 | N11 | C14 | C15 | 90.3° | 115.3° |
| C12 | N11 | C14 | C19 | 90.1° | 64.9° |
| C12 | N11 | C14 | C10 | 166.2° | 179.6° |
| N11 | C12 | C8 | C9 | 3.3° | 0.2° |
| C12 | N11 | C10 | C9 | 6.7° | 0.2° |
| C12 | N11 | C10 | N21 | 177.5° | 179.7° |
| N7 | C8 | C9 | C10 | 179.4° | 179.8° |
| N7 | C8 | C9 | C22 | 1.6° | 0.1° |
| C15 | C14 | C19 | N11 | 179.5° | 179.8° |
| C15 | C14 | N11 | C10 | 75.8° | 65.1° |
| C14 | C15 | C16 | H16 | 179.9° | 180.0° |
| C15 | C14 | C19 | H19 | 179.6° | 179.7° |
| C19 | C14 | N11 | C10 | 103.7° | 114.7° |
| C19 | C14 | C15 | H15 | 179.9° | 179.8° |
| C14 | C19 | C18 | H18 | 179.0° | 180.0° |
| C14 | N11 | C10 | C9 | 173.3° | 179.9° |
| C14 | N11 | C10 | N21 | 10.9° | 0.0° |
| N11 | C14 | C15 | H15 | 0.5° | 0.1° |
| N11 | C14 | C19 | H19 | 0.1° | 0.2° |
| C8 | C9 | C10 | N11 | 4.0° | 0.1° |
| C8 | C9 | C10 | C22 | 177.4° | 179.9° |
| C8 | C9 | C10 | N21 | 179.7° | 179.8° |
| C8 | C9 | C22 | N4 | 8.8° | 90.2° |
| C8 | C9 | C22 | O23 | 173.3° | 89.9° |
| N11 | C10 | C9 | N21 | 175.7° | 179.9° |
| N11 | C10 | C9 | C22 | 178.6° | 180.0° |
| N11 | C10 | N21 | H212 | 180.0° | 0.0° |
| N11 | C10 | N21 | H211 | 60.0° | 180.0° |
| C10 | C9 | C22 | N4 | 168.2° | 89.9° |
| C10 | C9 | C22 | O23 | 9.7° | 90.0° |
| C9 | C10 | N21 | H212 | 4.9° | 180.0° |
| C9 | C10 | N21 | H211 | 115.1° | 0.1° |
| N21 | C10 | C9 | C22 | 2.9° | 0.1° |
| C10 | N21 | H212 | H211 | 120.0° | 179.9° |
| C9 | C22 | N4 | O23 | 178.0° | 180.0° |
| C9 | C22 | N4 | HN41 | 178.0° | 0.0° |
| C9 | C22 | N4 | HN42 | 2.0° | 179.9° |
| C22 | N4 | HN41 | HN42 | 180.0° | 179.9° |
| O23 | C22 | N4 | HN41 | 0.0° | 179.9° |
| O23 | C22 | N4 | HN42 | 180.0° | 0.0° |
| H30 | C30 | C31 | H31 | 1.6° | 0.2° |
| H31 | C31 | C32 | H32 | 0.9° | 0.2° |
| H16 | C16 | C15 | H15 | 0.0° | 0.0° |
| H18 | C18 | C19 | H19 | 1.0° | 0.1° |
| H3 | C3 | C2 | H2 | 0.2° | 0.1° |
| H2 | C2 | C1 | H1 | 0.7° | 0.0° |
| H1 | C1 | C6 | H6 | 0.6° | 0.0° |
