Y7H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | N4 | sing | 1.45Å | 1.45Å | |
| C18 | C11 | sing | 1.54Å | 1.51Å | |
| N4 | C15 | sing | 1.49Å | 1.45Å | |
| N4 | C16 | sing | 1.44Å | 1.45Å | |
| C15 | C14 | sing | 1.53Å | 1.50Å | |
| C10 | N3 | sing | 1.44Å | 1.46Å | |
| C10 | C9 | sing | 1.50Å | 1.50Å | |
| C16 | C17 | sing | 1.55Å | 1.49Å | |
| C11 | N3 | sing | 1.47Å | 1.47Å | |
| C11 | C12 | sing | 1.52Å | 1.51Å | |
| N3 | C1 | sing | 1.35Å | 1.32Å | |
| C9 | C7 | sing | 1.49Å | 1.47Å | |
| C14 | C13 | sing | 1.54Å | 1.49Å | |
| C7 | N2 | doub | 1.30Å | 1.30Å | Aromatic |
| C7 | C8 | sing | 1.42Å | 1.39Å | Aromatic |
| N2 | N1 | sing | 1.40Å | 1.34Å | Aromatic |
| C1 | C2 | sing | 1.46Å | 1.46Å | |
| C1 | O1 | doub | 1.22Å | 1.19Å | |
| C8 | C2 | doub | 1.41Å | 1.39Å | Aromatic |
| C8 | C6 | sing | 1.41Å | 1.38Å | Aromatic |
| N1 | C6 | sing | 1.37Å | 1.33Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.36Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.50Å | 1.51Å | |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.35Å | Aromatic |
| C13 | C17 | sing | 1.52Å | 1.49Å | |
| C18 | H1 | sing | 1.09Å | 1.10Å | |
| C18 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| N1 | H22 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N4 | C18 | C11 | 111.9° | 113.9° |
| C18 | N4 | C15 | 114.2° | 109.0° |
| C18 | N4 | C16 | 115.9° | 124.1° |
| N4 | C18 | H1 | 108.9° | 108.6° |
| N4 | C18 | H2 | 108.8° | 108.6° |
| C18 | C11 | N3 | 120.3° | 110.0° |
| C18 | C11 | C12 | 109.5° | 106.8° |
| C11 | C18 | H1 | 108.8° | 108.6° |
| C11 | C18 | H2 | 108.9° | 108.5° |
| C18 | C11 | H10 | 105.8° | 110.1° |
| C15 | N4 | C16 | 111.8° | 111.1° |
| N4 | C15 | C14 | 114.0° | 109.4° |
| N4 | C15 | H16 | 108.4° | 109.5° |
| N4 | C15 | H17 | 108.3° | 109.6° |
| N4 | C16 | C17 | 114.1° | 110.7° |
| N4 | C16 | H18 | 108.3° | 109.3° |
| N4 | C16 | H19 | 108.3° | 109.3° |
| C15 | C14 | C13 | 111.6° | 111.3° |
| C15 | C14 | H14 | 109.0° | 109.1° |
| C15 | C14 | H15 | 108.9° | 109.2° |
| C14 | C15 | H16 | 108.3° | 109.4° |
| C14 | C15 | H17 | 108.3° | 109.4° |
| N3 | C10 | C9 | 117.8° | 114.1° |
| C10 | N3 | C11 | 116.2° | 118.8° |
| C10 | N3 | C1 | 126.8° | 122.5° |
| N3 | C10 | H8 | 107.4° | 108.7° |
| N3 | C10 | H9 | 107.3° | 108.7° |
| C10 | C9 | C7 | 114.3° | 112.6° |
| C10 | C9 | H6 | 108.2° | 108.6° |
| C10 | C9 | H7 | 108.3° | 108.9° |
| C9 | C10 | H8 | 107.3° | 108.6° |
| C9 | C10 | H9 | 107.4° | 108.3° |
| C16 | C17 | C13 | 111.8° | 110.2° |
| C17 | C16 | H18 | 108.3° | 109.2° |
| C17 | C16 | H19 | 108.3° | 109.2° |
| C16 | C17 | H20 | 108.9° | 109.3° |
| C16 | C17 | H21 | 108.9° | 109.3° |
| N3 | C11 | C12 | 108.1° | 110.0° |
| C11 | N3 | C1 | 116.9° | 118.8° |
| N3 | C11 | H10 | 106.2° | 109.9° |
| C11 | C12 | C13 | 119.7° | 111.7° |
| C12 | C11 | H10 | 105.8° | 110.0° |
| C11 | C12 | H11 | 106.9° | 109.1° |
| C11 | C12 | H12 | 106.9° | 109.1° |
| N3 | C1 | C2 | 126.9° | 125.7° |
| N3 | C1 | O1 | 118.9° | 117.2° |
| C9 | C7 | N2 | 125.8° | 128.1° |
| C9 | C7 | C8 | 124.5° | 123.5° |
| C7 | C9 | H6 | 108.2° | 108.9° |
| C7 | C9 | H7 | 108.2° | 108.9° |
| C14 | C13 | C12 | 110.5° | 111.7° |
| C14 | C13 | C17 | 106.4° | 111.1° |
| C14 | C13 | H13 | 108.6° | 105.4° |
| C13 | C14 | H14 | 109.0° | 109.0° |
| C13 | C14 | H15 | 109.0° | 109.1° |
| N2 | C7 | C8 | 109.7° | 108.4° |
| C7 | N2 | N1 | 107.4° | 109.9° |
| C7 | C8 | C2 | 133.9° | 133.3° |
| C7 | C8 | C6 | 105.3° | 106.7° |
| N2 | N1 | C6 | 110.9° | 108.0° |
| N2 | N1 | H22 | 124.6° | 126.0° |
| C2 | C1 | O1 | 114.2° | 117.1° |
| C1 | C2 | C8 | 124.1° | 122.0° |
| C1 | C2 | C3 | 119.2° | 119.4° |
| C2 | C8 | C6 | 120.8° | 120.0° |
| C8 | C2 | C3 | 116.7° | 118.5° |
| C8 | C6 | N1 | 106.8° | 106.6° |
| C8 | C6 | C5 | 121.7° | 119.7° |
| N1 | C6 | C5 | 131.6° | 133.8° |
| C6 | N1 | H22 | 124.5° | 126.0° |
| C2 | C3 | C4 | 122.0° | 120.6° |
| C2 | C3 | H3 | 119.0° | 119.7° |
| C6 | C5 | C4 | 117.4° | 119.9° |
| C6 | C5 | H5 | 121.3° | 120.1° |
| C12 | C13 | C17 | 114.1° | 115.4° |
| C13 | C12 | H11 | 106.9° | 109.0° |
| C13 | C12 | H12 | 106.9° | 109.1° |
| C12 | C13 | H13 | 108.4° | 106.1° |
| C3 | C4 | C5 | 121.5° | 121.0° |
| C4 | C3 | H3 | 119.0° | 119.7° |
| C3 | C4 | H4 | 119.3° | 119.5° |
| C5 | C4 | H4 | 119.3° | 119.5° |
| C4 | C5 | H5 | 121.3° | 120.0° |
| C17 | C13 | H13 | 108.6° | 106.3° |
| C13 | C17 | H20 | 108.9° | 109.3° |
| C13 | C17 | H21 | 108.9° | 109.3° |
| H1 | C18 | H2 | 109.5° | 108.5° |
| H6 | C9 | H7 | 109.5° | 108.9° |
| H8 | C10 | H9 | 109.5° | 108.4° |
| H11 | C12 | H12 | 109.5° | 108.9° |
| H14 | C14 | H15 | 109.4° | 109.1° |
| H16 | C15 | H17 | 109.5° | 109.4° |
| H18 | C16 | H19 | 109.5° | 109.2° |
| H20 | C17 | H21 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N4 | C18 | C11 | H1 | 120.4° | 121.1° |
| N4 | C18 | C11 | H2 | 120.4° | 121.1° |
| C18 | N4 | C15 | C16 | 134.1° | 140.2° |
| C18 | N4 | C15 | C14 | 87.1° | 82.5° |
| C18 | N4 | C16 | C17 | 83.6° | 67.0° |
| N4 | C18 | C11 | N3 | 177.2° | 58.8° |
| N4 | C18 | C11 | C12 | 51.1° | 60.5° |
| N4 | C18 | H1 | H2 | 118.9° | 117.9° |
| N4 | C18 | C11 | H10 | 62.6° | 179.9° |
| C18 | N4 | C15 | H16 | 33.6° | 157.5° |
| C18 | N4 | C15 | H17 | 152.3° | 37.5° |
| C18 | N4 | C16 | H18 | 155.7° | 53.3° |
| C18 | N4 | C16 | H19 | 37.1° | 172.8° |
| C11 | C18 | N4 | C15 | 91.4° | 39.5° |
| C11 | C18 | N4 | C16 | 40.7° | 94.3° |
| C18 | C11 | N3 | C10 | 62.4° | 48.8° |
| C18 | C11 | N3 | C12 | 126.8° | 117.4° |
| C18 | C11 | N3 | H10 | 120.0° | 121.3° |
| C18 | C11 | C12 | H10 | 113.7° | 119.5° |
| C18 | C11 | N3 | C1 | 117.4° | 131.2° |
| C18 | C11 | C12 | C13 | 59.0° | 61.9° |
| C11 | C18 | H1 | H2 | 118.9° | 117.8° |
| C18 | C11 | C12 | H11 | 179.5° | 58.6° |
| C18 | C11 | C12 | H12 | 62.4° | 177.4° |
| N4 | C15 | C14 | H16 | 120.7° | 120.0° |
| N4 | C15 | C14 | H17 | 120.7° | 120.1° |
| C15 | N4 | C16 | C17 | 49.7° | 66.1° |
| N4 | C15 | C14 | C13 | 8.1° | 3.2° |
| C15 | N4 | C18 | H1 | 148.2° | 81.6° |
| C15 | N4 | C18 | H2 | 28.9° | 160.6° |
| N4 | C15 | C14 | H14 | 128.4° | 117.2° |
| N4 | C15 | C14 | H15 | 112.2° | 123.7° |
| N4 | C15 | H16 | H17 | 117.9° | 120.2° |
| C15 | N4 | C16 | H18 | 71.0° | 173.6° |
| C15 | N4 | C16 | H19 | 170.3° | 54.2° |
| C16 | N4 | C15 | C14 | 47.1° | 57.7° |
| N4 | C16 | C17 | H18 | 120.7° | 120.3° |
| N4 | C16 | C17 | H19 | 120.7° | 120.3° |
| N4 | C16 | C17 | C13 | 3.5° | 10.5° |
| C16 | N4 | C18 | H1 | 79.6° | 144.5° |
| C16 | N4 | C18 | H2 | 161.1° | 26.7° |
| C16 | N4 | C15 | H16 | 167.7° | 62.2° |
| C16 | N4 | C15 | H17 | 73.6° | 177.7° |
| N4 | C16 | H18 | H19 | 117.9° | 119.5° |
| N4 | C16 | C17 | H20 | 116.9° | 109.6° |
| N4 | C16 | C17 | H21 | 123.8° | 130.7° |
| C15 | C14 | C13 | H14 | 120.3° | 120.4° |
| C15 | C14 | C13 | H15 | 120.3° | 120.6° |
| C15 | C14 | C13 | C12 | 65.0° | 75.2° |
| C15 | C14 | C13 | C17 | 59.4° | 55.3° |
| C15 | C14 | C13 | H13 | 176.2° | 169.9° |
| C15 | C14 | H14 | H15 | 119.0° | 119.2° |
| C14 | C15 | H16 | H17 | 117.9° | 119.9° |
| N3 | C10 | C9 | H8 | 121.2° | 121.4° |
| N3 | C10 | C9 | H9 | 121.2° | 121.1° |
| C10 | N3 | C11 | C1 | 179.8° | 180.0° |
| C10 | N3 | C11 | C12 | 64.4° | 166.2° |
| N3 | C10 | C9 | C7 | 69.8° | 77.5° |
| C10 | N3 | C1 | C2 | 0.3° | 2.4° |
| C10 | N3 | C1 | O1 | 179.8° | 177.8° |
| N3 | C10 | C9 | H6 | 169.5° | 43.2° |
| N3 | C10 | C9 | H7 | 50.9° | 161.6° |
| N3 | C10 | H8 | H9 | 116.2° | 117.9° |
| C10 | N3 | C11 | H10 | 177.6° | 72.5° |
| C9 | C10 | N3 | C11 | 128.3° | 112.3° |
| C9 | C10 | N3 | C1 | 51.9° | 67.8° |
| C10 | C9 | C7 | H6 | 120.7° | 120.5° |
| C10 | C9 | C7 | H7 | 120.7° | 120.9° |
| C10 | C9 | C7 | N2 | 142.6° | 149.0° |
| C10 | C9 | C7 | C8 | 37.5° | 29.6° |
| C10 | C9 | H6 | H7 | 117.8° | 118.4° |
| C9 | C10 | H8 | H9 | 116.2° | 117.4° |
| C16 | C17 | C13 | C14 | 56.9° | 47.6° |
| C16 | C17 | C13 | C12 | 65.3° | 80.9° |
| C16 | C17 | C13 | H20 | 120.4° | 120.1° |
| C16 | C17 | C13 | H21 | 120.4° | 120.2° |
| C16 | C17 | C13 | H13 | 173.7° | 161.8° |
| C17 | C16 | H18 | H19 | 117.9° | 119.4° |
| C16 | C17 | H20 | H21 | 118.9° | 119.7° |
| N3 | C11 | C12 | H10 | 113.5° | 121.2° |
| C11 | N3 | C1 | C2 | 180.0° | 177.6° |
| C11 | N3 | C1 | O1 | 0.0° | 2.2° |
| N3 | C11 | C12 | C13 | 168.2° | 57.4° |
| N3 | C11 | C18 | H1 | 62.4° | 62.3° |
| N3 | C11 | C18 | H2 | 56.8° | 179.9° |
| C11 | N3 | C10 | H8 | 110.5° | 9.0° |
| C11 | N3 | C10 | H9 | 7.1° | 126.8° |
| N3 | C11 | C12 | H11 | 46.7° | 177.9° |
| N3 | C11 | C12 | H12 | 70.4° | 63.3° |
| C12 | C11 | N3 | C1 | 115.8° | 13.8° |
| C11 | C12 | C13 | C14 | 92.1° | 31.4° |
| C11 | C12 | C13 | H11 | 121.4° | 120.6° |
| C11 | C12 | C13 | H12 | 121.4° | 120.7° |
| C11 | C12 | C13 | C17 | 27.8° | 96.7° |
| C12 | C11 | C18 | H1 | 171.4° | 178.4° |
| C12 | C11 | C18 | H2 | 69.3° | 60.6° |
| C11 | C12 | H11 | H12 | 115.4° | 118.9° |
| C11 | C12 | C13 | H13 | 148.9° | 145.9° |
| N3 | C1 | C2 | O1 | 180.0° | 179.8° |
| N3 | C1 | C2 | C8 | 19.7° | 32.7° |
| N3 | C1 | C2 | C3 | 160.6° | 148.1° |
| C1 | N3 | C10 | H8 | 69.3° | 171.0° |
| C1 | N3 | C10 | H9 | 173.1° | 53.2° |
| C1 | N3 | C11 | H10 | 2.6° | 107.5° |
| C9 | C7 | N2 | C8 | 179.9° | 178.7° |
| C9 | C7 | N2 | N1 | 179.9° | 176.7° |
| C9 | C7 | C8 | C2 | 0.2° | 5.4° |
| C9 | C7 | C8 | C6 | 180.0° | 173.0° |
| C7 | C9 | H6 | H7 | 117.8° | 118.6° |
| C7 | C9 | C10 | H8 | 51.4° | 161.1° |
| C7 | C9 | C10 | H9 | 169.0° | 43.6° |
| C14 | C13 | C12 | C17 | 119.9° | 128.2° |
| C14 | C13 | C12 | H13 | 119.0° | 114.4° |
| C14 | C13 | C17 | H13 | 116.8° | 114.2° |
| C14 | C13 | C12 | H11 | 146.4° | 152.0° |
| C14 | C13 | C12 | H12 | 29.3° | 89.2° |
| C13 | C14 | H14 | H15 | 119.0° | 119.0° |
| C13 | C14 | C15 | H16 | 112.6° | 123.2° |
| C13 | C14 | C15 | H17 | 128.8° | 117.0° |
| C14 | C13 | C17 | H20 | 63.5° | 167.7° |
| C14 | C13 | C17 | H21 | 177.3° | 72.6° |
| N2 | C7 | C8 | C2 | 179.9° | 175.8° |
| N2 | C7 | C8 | C6 | 0.1° | 5.8° |
| C7 | N2 | N1 | C6 | 0.1° | 2.5° |
| N2 | C7 | C9 | H6 | 21.9° | 90.5° |
| N2 | C7 | C9 | H7 | 96.7° | 28.1° |
| C7 | N2 | N1 | H22 | 179.9° | 177.5° |
| C8 | C7 | N2 | N1 | 0.0° | 2.1° |
| C7 | C8 | C2 | C1 | 0.3° | 9.8° |
| C7 | C8 | C2 | C6 | 179.7° | 178.3° |
| C7 | C8 | C6 | N1 | 0.1° | 7.1° |
| C7 | C8 | C2 | C3 | 180.0° | 170.9° |
| C7 | C8 | C6 | C5 | 179.9° | 172.9° |
| C8 | C7 | C9 | H6 | 158.2° | 90.9° |
| C8 | C7 | C9 | H7 | 83.3° | 150.5° |
| N2 | N1 | C6 | C8 | 0.2° | 6.0° |
| N2 | N1 | C6 | H22 | 180.0° | 180.0° |
| N2 | N1 | C6 | C5 | 179.9° | 174.0° |
| C1 | C2 | C8 | C3 | 179.7° | 179.2° |
| C1 | C2 | C8 | C6 | 180.0° | 171.9° |
| C1 | C2 | C3 | C4 | 179.8° | 175.1° |
| C1 | C2 | C3 | H3 | 0.2° | 4.8° |
| O1 | C1 | C2 | C8 | 160.2° | 147.1° |
| O1 | C1 | C2 | C3 | 19.5° | 32.1° |
| C2 | C8 | C6 | N1 | 180.0° | 174.2° |
| C2 | C8 | C6 | C5 | 0.1° | 5.8° |
| C8 | C2 | C3 | C4 | 0.1° | 4.1° |
| C8 | C2 | C3 | H3 | 180.0° | 176.0° |
| C8 | C6 | N1 | C5 | 179.9° | 180.0° |
| C6 | C8 | C2 | C3 | 0.3° | 7.3° |
| C8 | C6 | C5 | C4 | 0.2° | 0.9° |
| C8 | C6 | C5 | H5 | 179.8° | 179.2° |
| C8 | C6 | N1 | H22 | 179.8° | 174.0° |
| N1 | C6 | C5 | C4 | 179.7° | 179.1° |
| N1 | C6 | C5 | H5 | 0.3° | 0.9° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.3° | 0.7° |
| C2 | C3 | C4 | H4 | 179.7° | 179.3° |
| C6 | C5 | C4 | C3 | 0.4° | 2.4° |
| C6 | C5 | C4 | H5 | 180.0° | 179.9° |
| C6 | C5 | C4 | H4 | 179.6° | 177.6° |
| C5 | C6 | N1 | H22 | 0.1° | 6.0° |
| C12 | C13 | C17 | H13 | 121.0° | 117.3° |
| C13 | C12 | C11 | H10 | 54.7° | 178.6° |
| C13 | C12 | H11 | H12 | 115.4° | 118.9° |
| C12 | C13 | C14 | H14 | 55.3° | 164.4° |
| C12 | C13 | C14 | H15 | 174.7° | 45.4° |
| C12 | C13 | C17 | H20 | 174.3° | 39.2° |
| C12 | C13 | C17 | H21 | 55.1° | 158.9° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | H5 | 179.6° | 177.6° |
| C5 | C4 | C3 | H3 | 179.7° | 179.2° |
| C17 | C13 | C12 | H11 | 93.7° | 23.8° |
| C17 | C13 | C12 | H12 | 149.2° | 142.6° |
| C17 | C13 | C14 | H14 | 179.8° | 65.1° |
| C17 | C13 | C14 | H15 | 60.9° | 175.8° |
| C13 | C17 | C16 | H18 | 124.2° | 130.9° |
| C13 | C17 | C16 | H19 | 117.2° | 109.8° |
| C13 | C17 | H20 | H21 | 118.9° | 119.7° |
| H1 | C18 | C11 | H10 | 57.8° | 58.9° |
| H2 | C18 | C11 | H10 | 177.0° | 58.9° |
| H3 | C3 | C4 | H4 | 0.3° | 0.8° |
| H4 | C4 | C5 | H5 | 0.4° | 2.5° |
| H6 | C9 | C10 | H8 | 69.3° | 78.2° |
| H6 | C9 | C10 | H9 | 48.3° | 164.3° |
| H7 | C9 | C10 | H8 | 172.1° | 40.2° |
| H7 | C9 | C10 | H9 | 70.3° | 77.3° |
| H10 | C11 | C12 | H11 | 66.8° | 60.8° |
| H10 | C11 | C12 | H12 | 176.1° | 58.0° |
| H11 | C12 | C13 | H13 | 27.5° | 93.6° |
| H12 | C12 | C13 | H13 | 89.6° | 25.2° |
| H13 | C13 | C14 | H14 | 63.5° | 49.5° |
| H13 | C13 | C14 | H15 | 55.9° | 69.5° |
| H13 | C13 | C17 | H20 | 53.3° | 78.1° |
| H13 | C13 | C17 | H21 | 66.0° | 41.6° |
| H14 | C14 | C15 | H16 | 7.7° | 2.8° |
| H14 | C14 | C15 | H17 | 110.9° | 122.7° |
| H15 | C14 | C15 | H16 | 127.1° | 116.3° |
| H15 | C14 | C15 | H17 | 8.5° | 3.6° |
| H18 | C16 | C17 | H20 | 3.8° | 10.8° |
| H18 | C16 | C17 | H21 | 115.5° | 109.0° |
| H19 | C16 | C17 | H20 | 122.4° | 130.1° |
| H19 | C16 | C17 | H21 | 3.2° | 10.4° |
