2H7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C26 | doub | 1.39Å | 1.42Å | Aromatic |
| C27 | C28 | sing | 1.36Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.36Å | 1.42Å | Aromatic |
| C28 | C22 | doub | 1.41Å | 1.48Å | Aromatic |
| C25 | C21 | doub | 1.40Å | 1.46Å | Aromatic |
| C22 | C21 | sing | 1.42Å | 1.37Å | Aromatic |
| C22 | C23 | sing | 1.41Å | 1.44Å | Aromatic |
| C21 | C20 | sing | 1.41Å | 1.49Å | Aromatic |
| C23 | C24 | doub | 1.36Å | 1.41Å | Aromatic |
| C29 | C01 | sing | 1.53Å | 1.54Å | |
| C29 | C30 | sing | 1.51Å | 1.56Å | |
| C20 | C19 | doub | 1.36Å | 1.37Å | Aromatic |
| C24 | C19 | sing | 1.39Å | 1.43Å | Aromatic |
| C19 | C18 | sing | 1.51Å | 1.57Å | |
| C01 | C18 | sing | 1.53Å | 1.52Å | |
| C01 | N02 | sing | 1.47Å | 1.44Å | |
| C30 | N31 | sing | 1.35Å | 1.44Å | |
| C30 | O33 | doub | 1.21Å | 1.22Å | |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| N31 | O32 | sing | 1.42Å | 1.37Å | |
| C12 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| F17 | C14 | sing | 1.35Å | 1.34Å | |
| O11 | C09 | doub | 1.22Å | 1.24Å | |
| C14 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| N02 | C03 | sing | 1.35Å | 1.38Å | Aromatic |
| N02 | N06 | sing | 1.29Å | 1.32Å | Aromatic |
| C03 | C04 | doub | 1.35Å | 1.43Å | Aromatic |
| C10 | C09 | sing | 1.48Å | 1.51Å | |
| C10 | C16 | doub | 1.40Å | 1.41Å | Aromatic |
| C09 | N08 | sing | 1.35Å | 1.42Å | |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| N06 | N05 | doub | 1.29Å | 1.33Å | Aromatic |
| C04 | N05 | sing | 1.34Å | 1.37Å | Aromatic |
| C04 | C07 | sing | 1.51Å | 1.55Å | |
| N08 | C07 | sing | 1.46Å | 1.46Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C20 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.08Å | 1.08Å | |
| C26 | H5 | sing | 1.08Å | 1.08Å | |
| C28 | H6 | sing | 1.08Å | 1.08Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C03 | H8 | sing | 1.08Å | 1.08Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| N08 | H11 | sing | 0.97Å | 1.00Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.08Å | 1.08Å | |
| C25 | H17 | sing | 1.08Å | 1.08Å | |
| C27 | H18 | sing | 1.08Å | 1.08Å | |
| C29 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| N31 | H21 | sing | 0.97Å | 1.00Å | |
| O32 | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C27 | C28 | 120.2° | 121.0° |
| C27 | C26 | C25 | 120.3° | 121.0° |
| C27 | C26 | H5 | 119.9° | 119.5° |
| C26 | C27 | H18 | 119.9° | 119.5° |
| C27 | C28 | C22 | 119.8° | 119.7° |
| C27 | C28 | H6 | 120.1° | 120.1° |
| C28 | C27 | H18 | 119.9° | 119.5° |
| C26 | C25 | C21 | 119.8° | 119.7° |
| C25 | C26 | H5 | 119.9° | 119.5° |
| C26 | C25 | H17 | 120.1° | 120.2° |
| C28 | C22 | C21 | 120.3° | 119.3° |
| C28 | C22 | C23 | 119.9° | 121.3° |
| C22 | C28 | H6 | 120.1° | 120.2° |
| C25 | C21 | C22 | 119.7° | 119.4° |
| C25 | C21 | C20 | 120.2° | 121.3° |
| C21 | C25 | H17 | 120.1° | 120.1° |
| C21 | C22 | C23 | 119.8° | 119.4° |
| C22 | C21 | C20 | 120.1° | 119.3° |
| C22 | C23 | C24 | 119.8° | 119.7° |
| C22 | C23 | H16 | 120.1° | 120.1° |
| C21 | C20 | C19 | 120.2° | 119.7° |
| C21 | C20 | H3 | 119.9° | 120.2° |
| C23 | C24 | C19 | 121.1° | 121.0° |
| C23 | C24 | H4 | 119.5° | 119.5° |
| C24 | C23 | H16 | 120.1° | 120.2° |
| C01 | C29 | C30 | 120.0° | 109.5° |
| C29 | C01 | C18 | 113.2° | 109.5° |
| C29 | C01 | N02 | 113.3° | 109.4° |
| C29 | C01 | H7 | 105.6° | 109.5° |
| C01 | C29 | H19 | 106.8° | 109.5° |
| C01 | C29 | H20 | 106.8° | 109.5° |
| C29 | C30 | N31 | 122.3° | 120.0° |
| C29 | C30 | O33 | 122.1° | 120.0° |
| C30 | C29 | H19 | 106.8° | 109.4° |
| C30 | C29 | H20 | 106.8° | 109.5° |
| C20 | C19 | C24 | 119.0° | 121.0° |
| C20 | C19 | C18 | 121.1° | 119.5° |
| C19 | C20 | H3 | 119.9° | 120.1° |
| C24 | C19 | C18 | 119.9° | 119.5° |
| C19 | C24 | H4 | 119.4° | 119.5° |
| C19 | C18 | C01 | 114.9° | 109.5° |
| C19 | C18 | H14 | 108.1° | 109.5° |
| C19 | C18 | H15 | 108.1° | 109.5° |
| C18 | C01 | N02 | 111.5° | 109.5° |
| C18 | C01 | H7 | 105.8° | 109.5° |
| C01 | C18 | H14 | 108.1° | 109.5° |
| C01 | C18 | H15 | 108.1° | 109.5° |
| C01 | N02 | C03 | 123.7° | 125.9° |
| C01 | N02 | N06 | 128.3° | 125.8° |
| N02 | C01 | H7 | 106.7° | 109.5° |
| N31 | C30 | O33 | 115.5° | 120.0° |
| C30 | N31 | O32 | 115.2° | 120.0° |
| C30 | N31 | H21 | 122.4° | 120.0° |
| C12 | C13 | C14 | 119.9° | 120.1° |
| C13 | C12 | C10 | 120.0° | 119.9° |
| C12 | C13 | H1 | 120.0° | 119.9° |
| C13 | C12 | H12 | 120.0° | 120.1° |
| C13 | C14 | F17 | 118.8° | 119.9° |
| C13 | C14 | C15 | 120.8° | 120.2° |
| C14 | C13 | H1 | 120.0° | 120.0° |
| O32 | N31 | H21 | 122.4° | 120.0° |
| N31 | O32 | H22 | 109.5° | 114.0° |
| C12 | C10 | C09 | 119.0° | 120.1° |
| C12 | C10 | C16 | 119.4° | 119.7° |
| C10 | C12 | H12 | 120.0° | 120.1° |
| F17 | C14 | C15 | 120.5° | 119.9° |
| O11 | C09 | C10 | 120.5° | 120.0° |
| O11 | C09 | N08 | 118.4° | 120.0° |
| C14 | C15 | C16 | 119.4° | 120.1° |
| C14 | C15 | H2 | 120.3° | 119.9° |
| C03 | N02 | N06 | 108.0° | 108.3° |
| N02 | C03 | C04 | 106.3° | 106.1° |
| N02 | C03 | H8 | 126.8° | 126.9° |
| N02 | N06 | N05 | 111.6° | 110.2° |
| C03 | C04 | N05 | 105.7° | 106.5° |
| C03 | C04 | C07 | 126.3° | 126.7° |
| C04 | C03 | H8 | 126.9° | 127.0° |
| C09 | C10 | C16 | 121.7° | 120.2° |
| C10 | C09 | N08 | 121.1° | 120.0° |
| C10 | C16 | C15 | 120.5° | 119.9° |
| C10 | C16 | H13 | 119.8° | 120.0° |
| C09 | N08 | C07 | 118.7° | 120.0° |
| C09 | N08 | H11 | 120.6° | 120.0° |
| C16 | C15 | H2 | 120.3° | 120.0° |
| C15 | C16 | H13 | 119.7° | 120.1° |
| N06 | N05 | C04 | 108.4° | 108.9° |
| N05 | C04 | C07 | 128.0° | 126.8° |
| C04 | C07 | N08 | 110.4° | 109.5° |
| C04 | C07 | H9 | 109.2° | 109.4° |
| C04 | C07 | H10 | 109.2° | 109.5° |
| N08 | C07 | H9 | 109.2° | 109.5° |
| N08 | C07 | H10 | 109.2° | 109.5° |
| C07 | N08 | H11 | 120.7° | 120.0° |
| H9 | C07 | H10 | 109.5° | 109.4° |
| H14 | C18 | H15 | 109.4° | 109.5° |
| H19 | C29 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C27 | C28 | H18 | 180.0° | 180.0° |
| C27 | C26 | C25 | H5 | 180.0° | 180.0° |
| C26 | C27 | C28 | C22 | 0.0° | 0.1° |
| C27 | C26 | C25 | C21 | 0.0° | 0.0° |
| C26 | C27 | C28 | H6 | 180.0° | 180.0° |
| C27 | C26 | C25 | H17 | 180.0° | 180.0° |
| C28 | C27 | C26 | C25 | 0.0° | 0.0° |
| C27 | C28 | C22 | H6 | 180.0° | 179.9° |
| C27 | C28 | C22 | C21 | 0.1° | 0.1° |
| C27 | C28 | C22 | C23 | 180.0° | 180.0° |
| C28 | C27 | C26 | H5 | 180.0° | 180.0° |
| C26 | C25 | C21 | H17 | 180.0° | 180.0° |
| C26 | C25 | C21 | C22 | 0.1° | 0.0° |
| C26 | C25 | C21 | C20 | 179.9° | 180.0° |
| C25 | C26 | C27 | H18 | 179.9° | 180.0° |
| C28 | C22 | C21 | C25 | 0.2° | 0.0° |
| C28 | C22 | C21 | C23 | 179.9° | 179.9° |
| C28 | C22 | C21 | C20 | 179.9° | 180.0° |
| C28 | C22 | C23 | C24 | 179.8° | 179.8° |
| C28 | C22 | C23 | H16 | 0.2° | 0.0° |
| C22 | C28 | C27 | H18 | 180.0° | 180.0° |
| C25 | C21 | C22 | C20 | 180.0° | 180.0° |
| C25 | C21 | C22 | C23 | 179.9° | 180.0° |
| C25 | C21 | C20 | C19 | 180.0° | 179.9° |
| C25 | C21 | C20 | H3 | 0.0° | 0.3° |
| C21 | C25 | C26 | H5 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.1° | 0.3° |
| C22 | C21 | C20 | C19 | 0.1° | 0.1° |
| C22 | C21 | C20 | H3 | 180.0° | 179.7° |
| C21 | C22 | C28 | H6 | 179.9° | 180.0° |
| C21 | C22 | C23 | H16 | 179.9° | 180.0° |
| C22 | C21 | C25 | H17 | 179.9° | 180.0° |
| C23 | C22 | C21 | C20 | 0.0° | 0.0° |
| C22 | C23 | C24 | H16 | 180.0° | 179.8° |
| C22 | C23 | C24 | C19 | 0.0° | 0.6° |
| C22 | C23 | C24 | H4 | 180.0° | 179.9° |
| C23 | C22 | C28 | H6 | 0.0° | 0.0° |
| C21 | C20 | C19 | H3 | 180.0° | 179.7° |
| C21 | C20 | C19 | C24 | 0.2° | 0.3° |
| C21 | C20 | C19 | C18 | 179.7° | 179.7° |
| C20 | C21 | C25 | H17 | 0.1° | 0.0° |
| C23 | C24 | C19 | C20 | 0.1° | 0.6° |
| C23 | C24 | C19 | H4 | 180.0° | 179.4° |
| C23 | C24 | C19 | C18 | 179.7° | 179.5° |
| C01 | C29 | C30 | H19 | 121.5° | 120.0° |
| C01 | C29 | C30 | H20 | 121.5° | 120.0° |
| C29 | C01 | C18 | C19 | 116.2° | 174.7° |
| C29 | C01 | C18 | N02 | 129.1° | 120.0° |
| C29 | C01 | C18 | H7 | 115.2° | 120.1° |
| C29 | C01 | N02 | H7 | 115.8° | 120.0° |
| C01 | C29 | C30 | N31 | 104.9° | 174.4° |
| C01 | C29 | C30 | O33 | 76.2° | 5.6° |
| C29 | C01 | N02 | C03 | 131.4° | 35.0° |
| C29 | C01 | N02 | N06 | 47.9° | 144.7° |
| C29 | C01 | C18 | H14 | 123.0° | 54.7° |
| C29 | C01 | C18 | H15 | 4.6° | 65.3° |
| C01 | C29 | H19 | H20 | 115.2° | 120.0° |
| C30 | C29 | C01 | C18 | 72.9° | 66.7° |
| C30 | C29 | C01 | N02 | 55.3° | 173.3° |
| C29 | C30 | N31 | O33 | 178.9° | 180.0° |
| C29 | C30 | N31 | O32 | 179.9° | 180.0° |
| C30 | C29 | C01 | H7 | 171.8° | 53.4° |
| C30 | C29 | H19 | H20 | 115.2° | 120.0° |
| C29 | C30 | N31 | H21 | 0.1° | 0.1° |
| C20 | C19 | C24 | C18 | 179.6° | 179.9° |
| C20 | C19 | C18 | C01 | 32.9° | 84.6° |
| C20 | C19 | C24 | H4 | 179.9° | 180.0° |
| C20 | C19 | C18 | H14 | 87.9° | 35.4° |
| C20 | C19 | C18 | H15 | 153.7° | 155.4° |
| C24 | C19 | C18 | C01 | 147.5° | 95.3° |
| C24 | C19 | C20 | H3 | 179.9° | 180.0° |
| C24 | C19 | C18 | H14 | 91.7° | 144.6° |
| C24 | C19 | C18 | H15 | 26.7° | 24.7° |
| C19 | C24 | C23 | H16 | 180.0° | 179.7° |
| C19 | C18 | C01 | H14 | 120.8° | 120.0° |
| C19 | C18 | C01 | H15 | 120.8° | 120.0° |
| C19 | C18 | C01 | N02 | 114.7° | 65.4° |
| C18 | C19 | C20 | H3 | 0.3° | 0.1° |
| C18 | C19 | C24 | H4 | 0.3° | 0.1° |
| C19 | C18 | C01 | H7 | 1.0° | 54.6° |
| C19 | C18 | H14 | H15 | 117.5° | 120.0° |
| C18 | C01 | N02 | H7 | 115.1° | 120.0° |
| C18 | C01 | N02 | C03 | 99.5° | 85.0° |
| C18 | C01 | N02 | N06 | 81.2° | 95.3° |
| C01 | C18 | H14 | H15 | 117.5° | 120.0° |
| C18 | C01 | C29 | H19 | 48.6° | 173.4° |
| C18 | C01 | C29 | H20 | 165.6° | 53.3° |
| C01 | N02 | C03 | N06 | 179.4° | 179.8° |
| C01 | N02 | C03 | C04 | 179.3° | 179.9° |
| C01 | N02 | N06 | N05 | 179.2° | 179.8° |
| C01 | N02 | C03 | H8 | 0.7° | 0.0° |
| N02 | C01 | C18 | H14 | 6.1° | 174.6° |
| N02 | C01 | C18 | H15 | 124.5° | 54.6° |
| N02 | C01 | C29 | H19 | 176.8° | 53.4° |
| N02 | C01 | C29 | H20 | 66.2° | 66.6° |
| C30 | N31 | O32 | H21 | 180.0° | 179.9° |
| N31 | C30 | C29 | H19 | 133.6° | 65.7° |
| N31 | C30 | C29 | H20 | 16.5° | 54.4° |
| C30 | N31 | O32 | H22 | 0.5° | 180.0° |
| O33 | C30 | N31 | O32 | 1.0° | 0.1° |
| O33 | C30 | C29 | H19 | 45.2° | 114.4° |
| O33 | C30 | C29 | H20 | 162.3° | 125.6° |
| O33 | C30 | N31 | H21 | 179.0° | 180.0° |
| C12 | C13 | C14 | H1 | 180.0° | 179.9° |
| C13 | C12 | C10 | H12 | 180.0° | 179.9° |
| C12 | C13 | C14 | F17 | 179.8° | 180.0° |
| C12 | C13 | C14 | C15 | 0.1° | 0.4° |
| C13 | C12 | C10 | C09 | 179.4° | 180.0° |
| C13 | C12 | C10 | C16 | 0.1° | 0.3° |
| C14 | C13 | C12 | C10 | 0.0° | 0.0° |
| C13 | C14 | F17 | C15 | 179.7° | 179.6° |
| C13 | C14 | C15 | C16 | 0.0° | 0.4° |
| C13 | C14 | C15 | H2 | 180.0° | 179.7° |
| C14 | C13 | C12 | H12 | 180.0° | 179.9° |
| C12 | C10 | C09 | O11 | 61.1° | 179.7° |
| C12 | C10 | C09 | C16 | 179.6° | 179.7° |
| C12 | C10 | C09 | N08 | 117.7° | 0.3° |
| C12 | C10 | C16 | C15 | 0.2° | 0.2° |
| C10 | C12 | C13 | H1 | 180.0° | 179.9° |
| C12 | C10 | C16 | H13 | 179.8° | 179.6° |
| F17 | C14 | C15 | C16 | 179.7° | 180.0° |
| F17 | C14 | C13 | H1 | 0.2° | 0.1° |
| F17 | C14 | C15 | H2 | 0.4° | 0.0° |
| O11 | C09 | C10 | N08 | 178.8° | 180.0° |
| O11 | C09 | C10 | C16 | 119.3° | 0.0° |
| O11 | C09 | N08 | C07 | 0.6° | 0.0° |
| O11 | C09 | N08 | H11 | 179.4° | 180.0° |
| C14 | C15 | C16 | C10 | 0.2° | 0.1° |
| C14 | C15 | C16 | H2 | 180.0° | 179.9° |
| C15 | C14 | C13 | H1 | 179.9° | 179.7° |
| C14 | C15 | C16 | H13 | 179.8° | 180.0° |
| N02 | C03 | C04 | H8 | 180.0° | 179.9° |
| C03 | N02 | N06 | N05 | 0.2° | 0.4° |
| N02 | C03 | C04 | N05 | 0.1° | 0.0° |
| N02 | C03 | C04 | C07 | 179.3° | 180.0° |
| C03 | N02 | C01 | H7 | 15.6° | 155.0° |
| N06 | N02 | C03 | C04 | 0.1° | 0.3° |
| N02 | N06 | N05 | C04 | 0.1° | 0.4° |
| N06 | N02 | C01 | H7 | 163.7° | 24.7° |
| N06 | N02 | C03 | H8 | 179.9° | 179.8° |
| C03 | C04 | N05 | N06 | 0.0° | 0.2° |
| C03 | C04 | N05 | C07 | 179.3° | 180.0° |
| C03 | C04 | C07 | N08 | 33.0° | 95.0° |
| C03 | C04 | C07 | H9 | 153.2° | 145.0° |
| C03 | C04 | C07 | H10 | 87.1° | 25.1° |
| C09 | C10 | C16 | C15 | 179.3° | 179.9° |
| C10 | C09 | N08 | C07 | 179.4° | 180.0° |
| C10 | C09 | N08 | H11 | 0.6° | 0.0° |
| C09 | C10 | C12 | H12 | 0.6° | 0.1° |
| C09 | C10 | C16 | H13 | 0.7° | 0.0° |
| C16 | C10 | C09 | N08 | 61.9° | 180.0° |
| C10 | C16 | C15 | H13 | 180.0° | 179.9° |
| C10 | C16 | C15 | H2 | 179.8° | 180.0° |
| C16 | C10 | C12 | H12 | 179.8° | 179.8° |
| C09 | N08 | C07 | C04 | 74.1° | 180.0° |
| C09 | N08 | C07 | H11 | 180.0° | 179.9° |
| C09 | N08 | C07 | H9 | 165.8° | 60.0° |
| C09 | N08 | C07 | H10 | 46.0° | 60.0° |
| N06 | N05 | C04 | C07 | 179.2° | 179.7° |
| N05 | C04 | C07 | N08 | 146.1° | 85.0° |
| N05 | C04 | C03 | H8 | 180.0° | 179.9° |
| N05 | C04 | C07 | H9 | 26.0° | 35.0° |
| N05 | C04 | C07 | H10 | 93.8° | 154.9° |
| C04 | C07 | N08 | H9 | 120.1° | 119.9° |
| C04 | C07 | N08 | H10 | 120.1° | 120.1° |
| C07 | C04 | C03 | H8 | 0.7° | 0.1° |
| C04 | C07 | H9 | H10 | 119.6° | 120.0° |
| C04 | C07 | N08 | H11 | 105.9° | 0.1° |
| N08 | C07 | H9 | H10 | 119.5° | 120.0° |
| H1 | C13 | C12 | H12 | 0.0° | 0.0° |
| H2 | C15 | C16 | H13 | 0.2° | 0.1° |
| H4 | C24 | C23 | H16 | 0.0° | 0.3° |
| H5 | C26 | C25 | H17 | 0.1° | 0.0° |
| H5 | C26 | C27 | H18 | 0.0° | 0.0° |
| H6 | C28 | C27 | H18 | 0.0° | 0.0° |
| H7 | C01 | C18 | H14 | 121.8° | 65.4° |
| H7 | C01 | C18 | H15 | 119.8° | 174.6° |
| H7 | C01 | C29 | H19 | 66.8° | 66.6° |
| H7 | C01 | C29 | H20 | 50.3° | 173.4° |
| H9 | C07 | N08 | H11 | 14.2° | 120.0° |
| H10 | C07 | N08 | H11 | 133.9° | 120.0° |
| H21 | N31 | O32 | H22 | 179.5° | 0.1° |
