Y7I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C23 | sing | 1.51Å | 1.53Å | |
| C22 | O24 | doub | 1.21Å | 1.19Å | |
| N21 | C22 | sing | 1.35Å | 1.33Å | |
| N21 | C20 | sing | 1.48Å | 1.45Å | |
| N21 | C19 | sing | 1.48Å | 1.45Å | |
| C16 | C20 | sing | 1.53Å | 1.61Å | |
| C16 | C19 | sing | 1.53Å | 1.46Å | |
| C16 | C17 | sing | 1.53Å | 1.49Å | |
| C16 | C15 | sing | 1.53Å | 1.51Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| N13 | C18 | sing | 1.47Å | 1.48Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| N13 | C14 | sing | 1.47Å | 1.49Å | |
| N13 | C11 | sing | 1.35Å | 1.36Å | |
| C11 | O12 | doub | 1.22Å | 1.26Å | |
| C11 | O10 | sing | 1.35Å | 1.43Å | |
| C9 | O10 | sing | 1.45Å | 1.54Å | |
| C4 | C9 | sing | 1.51Å | 1.47Å | |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.36Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.37Å | Aromatic |
| C2 | CL8 | sing | 1.74Å | 1.69Å | |
| C2 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.37Å | Aromatic |
| C6 | CL7 | sing | 1.74Å | 1.70Å | |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | H94 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H95 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H96 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H97 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H98 | sing | 1.09Å | 1.10Å | |
| C23 | H:A | sing | 1.09Å | 1.10Å | |
| C23 | H99 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H93 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C22 | O24 | 119.1° | 120.0° |
| C23 | C22 | N21 | 119.3° | 120.0° |
| C22 | C23 | H:A | 109.5° | 109.5° |
| C22 | C23 | H99 | 109.5° | 109.5° |
| C22 | C23 | H23 | 109.5° | 109.5° |
| O24 | C22 | N21 | 121.5° | 120.0° |
| C22 | N21 | C20 | 136.0° | 134.4° |
| C22 | N21 | C19 | 127.8° | 134.5° |
| C20 | N21 | C19 | 96.3° | 91.1° |
| N21 | C20 | C16 | 84.0° | 86.0° |
| N21 | C20 | H20 | 115.4° | 113.8° |
| N21 | C20 | H98 | 115.4° | 113.8° |
| N21 | C19 | C16 | 90.1° | 86.0° |
| N21 | C19 | H19 | 114.1° | 113.8° |
| N21 | C19 | H97 | 114.1° | 113.9° |
| C20 | C16 | C19 | 89.2° | 86.7° |
| C20 | C16 | C17 | 112.7° | 113.5° |
| C20 | C16 | C15 | 115.0° | 113.6° |
| C16 | C20 | H20 | 115.4° | 113.8° |
| C16 | C20 | H98 | 115.4° | 113.8° |
| C19 | C16 | C17 | 113.9° | 113.6° |
| C19 | C16 | C15 | 111.8° | 113.6° |
| C16 | C19 | H19 | 114.1° | 113.8° |
| C16 | C19 | H97 | 114.1° | 113.8° |
| C17 | C16 | C15 | 112.3° | 113.2° |
| C16 | C17 | C18 | 107.2° | 109.1° |
| C16 | C17 | H95 | 110.0° | 109.6° |
| C16 | C17 | H17 | 110.1° | 109.5° |
| C16 | C15 | C14 | 113.0° | 109.1° |
| C16 | C15 | H94 | 108.6° | 109.5° |
| C16 | C15 | H15 | 108.6° | 109.6° |
| C17 | C18 | N13 | 111.9° | 108.8° |
| C18 | C17 | H95 | 110.0° | 109.5° |
| C18 | C17 | H17 | 110.0° | 109.5° |
| C17 | C18 | H96 | 108.9° | 109.6° |
| C17 | C18 | H18 | 108.9° | 109.6° |
| C18 | N13 | C14 | 114.6° | 119.0° |
| C18 | N13 | C11 | 121.8° | 120.5° |
| N13 | C18 | H96 | 108.9° | 109.6° |
| N13 | C18 | H18 | 108.9° | 109.7° |
| C15 | C14 | N13 | 106.0° | 108.8° |
| C14 | C15 | H94 | 108.6° | 109.5° |
| C14 | C15 | H15 | 108.6° | 109.5° |
| C15 | C14 | H14 | 110.3° | 109.6° |
| C15 | C14 | H93 | 110.3° | 109.6° |
| C14 | N13 | C11 | 123.6° | 120.5° |
| N13 | C14 | H14 | 110.4° | 109.6° |
| N13 | C14 | H93 | 110.3° | 109.7° |
| N13 | C11 | O12 | 116.8° | 120.0° |
| N13 | C11 | O10 | 118.5° | 120.0° |
| O12 | C11 | O10 | 124.7° | 120.0° |
| C11 | O10 | C9 | 132.0° | 117.0° |
| O10 | C9 | C4 | 109.4° | 109.4° |
| O10 | C9 | H91 | 109.5° | 109.5° |
| O10 | C9 | H92 | 109.5° | 109.5° |
| C9 | C4 | C3 | 121.3° | 120.0° |
| C9 | C4 | C5 | 121.1° | 120.0° |
| C4 | C9 | H91 | 109.5° | 109.5° |
| C4 | C9 | H92 | 109.5° | 109.5° |
| C3 | C4 | C5 | 117.6° | 120.0° |
| C4 | C3 | C2 | 122.5° | 120.0° |
| C4 | C3 | H3 | 118.8° | 120.0° |
| C4 | C5 | C6 | 120.0° | 120.0° |
| C4 | C5 | H5 | 120.0° | 120.0° |
| C3 | C2 | CL8 | 121.2° | 120.0° |
| C3 | C2 | C1 | 119.5° | 120.0° |
| C2 | C3 | H3 | 118.7° | 120.0° |
| CL8 | C2 | C1 | 119.3° | 120.0° |
| C2 | C1 | C6 | 118.0° | 120.0° |
| C2 | C1 | H1 | 121.0° | 120.0° |
| C1 | C6 | CL7 | 114.4° | 120.0° |
| C1 | C6 | C5 | 122.4° | 120.0° |
| C6 | C1 | H1 | 121.0° | 120.0° |
| CL7 | C6 | C5 | 123.2° | 120.0° |
| C6 | C5 | H5 | 120.0° | 120.0° |
| H94 | C15 | H15 | 109.5° | 109.5° |
| H95 | C17 | H17 | 109.5° | 109.6° |
| H96 | C18 | H18 | 109.5° | 109.6° |
| H19 | C19 | H97 | 109.5° | 113.0° |
| H20 | C20 | H98 | 109.5° | 113.0° |
| H:A | C23 | H99 | 109.5° | 109.4° |
| H:A | C23 | H23 | 109.4° | 109.5° |
| H99 | C23 | H23 | 109.5° | 109.4° |
| H14 | C14 | H93 | 109.5° | 109.5° |
| H91 | C9 | H92 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C22 | O24 | N21 | 179.0° | 180.0° |
| C23 | C22 | N21 | C20 | 180.0° | 180.0° |
| C23 | C22 | N21 | C19 | 1.0° | 0.0° |
| C22 | C23 | H:A | H99 | 120.0° | 120.0° |
| C22 | C23 | H:A | H23 | 120.0° | 120.1° |
| C22 | C23 | H99 | H23 | 120.0° | 120.0° |
| O24 | C22 | N21 | C20 | 1.0° | 0.0° |
| O24 | C22 | N21 | C19 | 180.0° | 180.0° |
| O24 | C22 | C23 | H:A | 0.0° | 90.0° |
| O24 | C22 | C23 | H99 | 120.0° | 150.0° |
| O24 | C22 | C23 | H23 | 120.0° | 30.1° |
| C22 | N21 | C20 | C19 | 179.2° | 180.0° |
| C22 | N21 | C20 | C16 | 174.0° | 155.7° |
| C22 | N21 | C19 | C16 | 173.6° | 155.7° |
| C22 | N21 | C19 | H19 | 57.0° | 90.1° |
| C22 | N21 | C19 | H97 | 69.8° | 41.4° |
| C22 | N21 | C20 | H20 | 70.6° | 41.4° |
| C22 | N21 | C20 | H98 | 58.7° | 90.0° |
| N21 | C22 | C23 | H:A | 179.0° | 89.9° |
| N21 | C22 | C23 | H99 | 59.0° | 30.0° |
| N21 | C22 | C23 | H23 | 61.0° | 149.9° |
| N21 | C20 | C16 | H20 | 115.3° | 114.3° |
| N21 | C20 | C16 | H98 | 115.3° | 114.3° |
| C20 | N21 | C19 | C16 | 5.7° | 24.3° |
| N21 | C20 | C16 | C17 | 110.6° | 91.0° |
| N21 | C20 | C16 | C15 | 118.9° | 137.8° |
| C20 | N21 | C19 | H19 | 122.3° | 90.0° |
| C20 | N21 | C19 | H97 | 110.9° | 138.6° |
| N21 | C20 | H20 | H98 | 132.2° | 131.8° |
| N21 | C19 | C16 | H19 | 116.6° | 114.3° |
| N21 | C19 | C16 | H97 | 116.6° | 114.4° |
| N21 | C19 | C16 | C17 | 109.4° | 91.0° |
| N21 | C19 | C16 | C15 | 121.8° | 137.7° |
| N21 | C19 | H19 | H97 | 129.2° | 131.9° |
| C19 | N21 | C20 | H20 | 110.2° | 138.6° |
| C19 | N21 | C20 | H98 | 120.5° | 90.0° |
| C20 | C16 | C19 | C17 | 114.5° | 114.3° |
| C20 | C16 | C19 | C15 | 116.7° | 114.4° |
| C20 | C16 | C17 | C15 | 131.8° | 131.4° |
| C20 | C16 | C17 | C18 | 172.5° | 171.1° |
| C20 | C16 | C15 | C14 | 171.2° | 171.2° |
| C20 | C16 | C15 | H94 | 50.7° | 51.3° |
| C20 | C16 | C15 | H15 | 68.3° | 68.9° |
| C20 | C16 | C17 | H95 | 67.8° | 69.0° |
| C20 | C16 | C17 | H17 | 52.9° | 51.3° |
| C20 | C16 | C19 | H19 | 121.7° | 90.9° |
| C20 | C16 | C19 | H97 | 111.5° | 137.8° |
| C16 | C20 | H20 | H98 | 132.2° | 131.8° |
| C19 | C16 | C17 | C15 | 128.5° | 131.6° |
| C19 | C16 | C17 | C18 | 72.9° | 74.1° |
| C19 | C16 | C15 | C14 | 71.5° | 74.1° |
| C19 | C16 | C15 | H94 | 49.1° | 45.8° |
| C19 | C16 | C15 | H15 | 168.0° | 166.0° |
| C19 | C16 | C17 | H95 | 167.5° | 166.0° |
| C19 | C16 | C17 | H17 | 46.8° | 45.8° |
| C16 | C19 | H19 | H97 | 129.2° | 131.7° |
| C19 | C16 | C20 | H20 | 110.2° | 137.6° |
| C19 | C16 | C20 | H98 | 120.4° | 91.0° |
| C16 | C17 | C18 | H95 | 119.6° | 119.9° |
| C16 | C17 | C18 | H17 | 119.7° | 119.9° |
| C16 | C17 | C18 | N13 | 56.0° | 52.4° |
| C17 | C16 | C15 | C14 | 58.1° | 57.5° |
| C17 | C16 | C15 | H94 | 178.6° | 177.4° |
| C17 | C16 | C15 | H15 | 62.4° | 62.4° |
| C16 | C17 | H95 | H17 | 121.1° | 120.2° |
| C16 | C17 | C18 | H96 | 176.3° | 172.2° |
| C16 | C17 | C18 | H18 | 64.4° | 67.5° |
| C17 | C16 | C19 | H19 | 7.2° | 154.8° |
| C17 | C16 | C19 | H97 | 134.0° | 23.5° |
| C17 | C16 | C20 | H20 | 134.1° | 23.2° |
| C17 | C16 | C20 | H98 | 4.7° | 154.6° |
| C15 | C16 | C17 | C18 | 55.6° | 57.5° |
| C16 | C15 | C14 | H94 | 120.5° | 119.9° |
| C16 | C15 | C14 | H15 | 120.5° | 119.9° |
| C16 | C15 | C14 | N13 | 54.2° | 52.4° |
| C16 | C15 | H94 | H15 | 118.4° | 120.2° |
| C15 | C16 | C17 | H95 | 64.0° | 62.4° |
| C15 | C16 | C17 | H17 | 175.3° | 177.3° |
| C15 | C16 | C19 | H19 | 121.6° | 23.4° |
| C15 | C16 | C19 | H97 | 5.3° | 107.9° |
| C15 | C16 | C20 | H20 | 3.6° | 108.0° |
| C15 | C16 | C20 | H98 | 125.8° | 23.4° |
| C16 | C15 | C14 | H14 | 65.3° | 67.4° |
| C16 | C15 | C14 | H93 | 173.6° | 172.3° |
| C17 | C18 | N13 | H96 | 120.4° | 119.8° |
| C17 | C18 | N13 | H18 | 120.4° | 119.9° |
| C17 | C18 | N13 | C14 | 59.7° | 55.6° |
| C17 | C18 | N13 | C11 | 121.5° | 124.4° |
| C18 | C17 | H95 | H17 | 121.0° | 120.1° |
| C17 | C18 | H96 | H18 | 118.9° | 120.3° |
| C18 | N13 | C14 | C15 | 55.8° | 55.6° |
| C18 | N13 | C14 | C11 | 178.8° | 180.0° |
| C18 | N13 | C11 | O12 | 0.2° | 0.0° |
| C18 | N13 | C11 | O10 | 178.6° | 179.8° |
| N13 | C18 | C17 | H95 | 63.7° | 67.5° |
| N13 | C18 | C17 | H17 | 175.6° | 172.3° |
| N13 | C18 | H96 | H18 | 118.9° | 120.4° |
| C18 | N13 | C14 | H14 | 63.6° | 64.2° |
| C18 | N13 | C14 | H93 | 175.2° | 175.5° |
| C15 | C14 | N13 | H14 | 119.4° | 119.8° |
| C15 | C14 | N13 | H93 | 119.4° | 119.9° |
| C15 | C14 | N13 | C11 | 125.5° | 124.4° |
| C14 | C15 | H94 | H15 | 118.4° | 120.1° |
| C15 | C14 | H14 | H93 | 121.6° | 120.3° |
| C14 | N13 | C11 | O12 | 178.5° | 179.9° |
| C14 | N13 | C11 | O10 | 0.1° | 0.3° |
| N13 | C14 | C15 | H94 | 174.7° | 172.3° |
| N13 | C14 | C15 | H15 | 66.3° | 67.5° |
| C14 | N13 | C18 | H96 | 179.9° | 175.4° |
| C14 | N13 | C18 | H18 | 60.6° | 64.2° |
| N13 | C14 | H14 | H93 | 121.6° | 120.4° |
| N13 | C11 | O12 | O10 | 178.3° | 179.8° |
| N13 | C11 | O10 | C9 | 172.2° | 179.7° |
| C11 | N13 | C18 | H96 | 1.1° | 4.6° |
| C11 | N13 | C18 | H18 | 118.2° | 115.7° |
| C11 | N13 | C14 | H14 | 115.1° | 115.8° |
| C11 | N13 | C14 | H93 | 6.0° | 4.5° |
| O12 | C11 | O10 | C9 | 9.6° | 0.1° |
| C11 | O10 | C9 | C4 | 170.7° | 179.9° |
| C11 | O10 | C9 | H91 | 69.3° | 60.0° |
| C11 | O10 | C9 | H92 | 50.7° | 60.0° |
| O10 | C9 | C4 | H91 | 120.0° | 120.0° |
| O10 | C9 | C4 | H92 | 120.0° | 120.0° |
| O10 | C9 | C4 | C3 | 33.3° | 90.0° |
| O10 | C9 | C4 | C5 | 148.0° | 90.3° |
| O10 | C9 | H91 | H92 | 120.0° | 120.0° |
| C9 | C4 | C3 | C5 | 178.7° | 179.7° |
| C9 | C4 | C3 | C2 | 179.5° | 180.0° |
| C9 | C4 | C5 | C6 | 178.3° | 179.7° |
| C4 | C9 | H91 | H92 | 120.0° | 120.0° |
| C9 | C4 | C3 | H3 | 0.5° | 0.0° |
| C9 | C4 | C5 | H5 | 1.7° | 0.0° |
| C4 | C3 | C2 | H3 | 180.0° | 179.9° |
| C4 | C3 | C2 | CL8 | 179.4° | 180.0° |
| C4 | C3 | C2 | C1 | 0.2° | 0.1° |
| C3 | C4 | C5 | C6 | 2.9° | 0.6° |
| C3 | C4 | C9 | H91 | 153.3° | 30.0° |
| C3 | C4 | C9 | H92 | 86.7° | 150.0° |
| C3 | C4 | C5 | H5 | 177.1° | 179.7° |
| C5 | C4 | C3 | C2 | 1.8° | 0.3° |
| C4 | C5 | C6 | C1 | 2.7° | 0.5° |
| C4 | C5 | C6 | CL7 | 178.2° | 179.7° |
| C4 | C5 | C6 | H5 | 180.0° | 179.7° |
| C5 | C4 | C9 | H91 | 28.0° | 149.7° |
| C5 | C4 | C9 | H92 | 92.0° | 29.7° |
| C5 | C4 | C3 | H3 | 178.2° | 179.7° |
| C3 | C2 | CL8 | C1 | 179.2° | 180.0° |
| C3 | C2 | C1 | C6 | 0.2° | 0.0° |
| C3 | C2 | C1 | H1 | 179.8° | 180.0° |
| CL8 | C2 | C1 | C6 | 179.0° | 180.0° |
| CL8 | C2 | C3 | H3 | 0.6° | 0.0° |
| CL8 | C2 | C1 | H1 | 1.0° | 0.1° |
| C2 | C1 | C6 | H1 | 180.0° | 180.0° |
| C2 | C1 | C6 | CL7 | 179.8° | 180.0° |
| C2 | C1 | C6 | C5 | 1.0° | 0.2° |
| C1 | C2 | C3 | H3 | 179.8° | 180.0° |
| C1 | C6 | CL7 | C5 | 179.2° | 179.8° |
| C1 | C6 | C5 | H5 | 177.3° | 179.8° |
| CL7 | C6 | C1 | H1 | 0.3° | 0.0° |
| CL7 | C6 | C5 | H5 | 1.8° | 0.0° |
| C5 | C6 | C1 | H1 | 178.9° | 179.8° |
| H94 | C15 | C14 | H14 | 55.2° | 52.5° |
| H94 | C15 | C14 | H93 | 65.9° | 67.8° |
| H15 | C15 | C14 | H14 | 174.2° | 172.6° |
| H15 | C15 | C14 | H93 | 53.1° | 52.4° |
| H95 | C17 | C18 | H96 | 56.7° | 52.3° |
| H95 | C17 | C18 | H18 | 176.0° | 172.6° |
| H17 | C17 | C18 | H96 | 64.0° | 67.9° |
| H17 | C17 | C18 | H18 | 55.3° | 52.4° |
| H:A | C23 | H99 | H23 | 120.0° | 120.0° |
