YK7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | O30 | sing | 1.43Å | 1.44Å | |
| C28 | C27 | sing | 1.53Å | 1.54Å | |
| C28 | C21 | sing | 1.51Å | 1.51Å | |
| C20 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.41Å | Aromatic |
| C27 | N25 | sing | 1.47Å | 1.49Å | |
| C21 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| O30 | C19 | sing | 1.36Å | 1.38Å | |
| C19 | C18 | doub | 1.39Å | 1.42Å | Aromatic |
| N25 | C29 | sing | 1.47Å | 1.47Å | |
| N25 | C24 | sing | 1.47Å | 1.47Å | |
| C22 | C24 | sing | 1.51Å | 1.51Å | |
| C22 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | C23 | sing | 1.39Å | 1.42Å | Aromatic |
| C18 | N17 | sing | 1.40Å | 1.42Å | |
| N17 | C2 | sing | 1.38Å | 1.39Å | |
| C2 | N1 | doub | 1.33Å | 1.34Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.33Å | Aromatic |
| N1 | C6 | sing | 1.32Å | 1.33Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 1.34Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.41Å | Aromatic |
| C6 | C5 | doub | 1.40Å | 1.42Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.44Å | Aromatic |
| C4 | N10 | sing | 1.38Å | 1.40Å | |
| C11 | N10 | sing | 1.40Å | 1.42Å | |
| C11 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C7 | sing | 1.47Å | 1.49Å | |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | N9 | sing | 1.35Å | 1.36Å | |
| C7 | O8 | doub | 1.22Å | 1.22Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| N10 | H2 | sing | 0.97Å | 1.00Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C16 | H5 | sing | 1.08Å | 1.08Å | |
| C23 | H6 | sing | 1.08Å | 1.08Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C27 | H9 | sing | 1.09Å | 1.10Å | |
| C27 | H10 | sing | 1.09Å | 1.10Å | |
| C31 | H11 | sing | 1.09Å | 1.10Å | |
| C31 | H12 | sing | 1.09Å | 1.10Å | |
| C31 | H13 | sing | 1.09Å | 1.10Å | |
| N9 | H14 | sing | 0.97Å | 1.00Å | |
| N9 | H15 | sing | 0.97Å | 1.00Å | |
| C13 | H16 | sing | 1.08Å | 1.08Å | |
| C14 | H17 | sing | 1.08Å | 1.08Å | |
| N17 | H18 | sing | 0.97Å | 1.00Å | |
| C20 | H19 | sing | 1.08Å | 1.08Å | |
| C28 | H21 | sing | 1.09Å | 1.10Å | |
| C28 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | O30 | C19 | 123.4° | 117.0° |
| O30 | C31 | H11 | 109.5° | 109.5° |
| O30 | C31 | H12 | 109.4° | 109.5° |
| O30 | C31 | H13 | 109.5° | 109.5° |
| C27 | C28 | C21 | 114.3° | 110.0° |
| C28 | C27 | N25 | 114.3° | 108.5° |
| C28 | C27 | H9 | 108.3° | 109.6° |
| C28 | C27 | H10 | 108.3° | 109.7° |
| C27 | C28 | H21 | 108.2° | 109.4° |
| C27 | C28 | H22 | 108.3° | 109.4° |
| C28 | C21 | C20 | 117.5° | 118.4° |
| C28 | C21 | C22 | 122.4° | 121.7° |
| C21 | C28 | H21 | 108.3° | 109.4° |
| C21 | C28 | H22 | 108.2° | 109.4° |
| C21 | C20 | C19 | 121.3° | 120.5° |
| C20 | C21 | C22 | 120.1° | 119.9° |
| C21 | C20 | H19 | 119.4° | 119.8° |
| C20 | C19 | O30 | 123.4° | 120.2° |
| C20 | C19 | C18 | 119.2° | 119.6° |
| C19 | C20 | H19 | 119.3° | 119.8° |
| C27 | N25 | C29 | 107.5° | 111.0° |
| C27 | N25 | C24 | 113.5° | 110.3° |
| N25 | C27 | H9 | 108.3° | 109.6° |
| N25 | C27 | H10 | 108.2° | 109.6° |
| C21 | C22 | C24 | 120.9° | 121.8° |
| C21 | C22 | C23 | 119.7° | 119.9° |
| O30 | C19 | C18 | 117.4° | 120.2° |
| C19 | C18 | C23 | 118.0° | 119.6° |
| C19 | C18 | N17 | 116.2° | 120.1° |
| C29 | N25 | C24 | 111.0° | 111.0° |
| N25 | C29 | H23 | 109.5° | 109.4° |
| N25 | C29 | H24 | 109.5° | 109.5° |
| N25 | C29 | H25 | 109.5° | 109.5° |
| N25 | C24 | C22 | 113.4° | 110.5° |
| N25 | C24 | H7 | 108.5° | 109.3° |
| N25 | C24 | H8 | 108.5° | 109.2° |
| C24 | C22 | C23 | 119.3° | 118.3° |
| C22 | C24 | H7 | 108.5° | 109.3° |
| C22 | C24 | H8 | 108.5° | 109.3° |
| C22 | C23 | C18 | 121.7° | 120.4° |
| C22 | C23 | H6 | 119.2° | 119.9° |
| C23 | C18 | N17 | 125.8° | 120.2° |
| C18 | C23 | H6 | 119.1° | 119.7° |
| C18 | N17 | C2 | 128.9° | 120.0° |
| C18 | N17 | H18 | 115.5° | 120.0° |
| N17 | C2 | N1 | 117.8° | 119.0° |
| N17 | C2 | N3 | 123.7° | 119.0° |
| C2 | N17 | H18 | 115.6° | 120.0° |
| N1 | C2 | N3 | 118.5° | 122.0° |
| C2 | N1 | C6 | 121.0° | 121.2° |
| C2 | N3 | C4 | 126.0° | 120.8° |
| N1 | C6 | C5 | 121.8° | 119.1° |
| N1 | C6 | H1 | 119.1° | 120.5° |
| N3 | C4 | C5 | 116.5° | 118.8° |
| N3 | C4 | N10 | 122.2° | 120.6° |
| C12 | C13 | C14 | 121.3° | 120.0° |
| C13 | C12 | C11 | 120.4° | 120.0° |
| C13 | C12 | H3 | 119.8° | 120.0° |
| C12 | C13 | H16 | 119.4° | 120.0° |
| C13 | C14 | C15 | 118.7° | 120.2° |
| C14 | C13 | H16 | 119.3° | 120.0° |
| C13 | C14 | H17 | 120.7° | 119.9° |
| C12 | C11 | N10 | 126.0° | 120.1° |
| C12 | C11 | C16 | 117.6° | 119.8° |
| C11 | C12 | H3 | 119.8° | 120.0° |
| C6 | C5 | C4 | 116.1° | 118.1° |
| C6 | C5 | C7 | 120.9° | 120.9° |
| C5 | C6 | H1 | 119.1° | 120.4° |
| C14 | C15 | C16 | 121.3° | 120.0° |
| C14 | C15 | H4 | 119.3° | 120.0° |
| C15 | C14 | H17 | 120.6° | 119.9° |
| C5 | C4 | N10 | 121.3° | 120.6° |
| C4 | C5 | C7 | 122.9° | 120.9° |
| C4 | N10 | C11 | 128.6° | 120.0° |
| C4 | N10 | H2 | 115.7° | 120.0° |
| N10 | C11 | C16 | 116.4° | 120.0° |
| C11 | N10 | H2 | 115.7° | 120.0° |
| C11 | C16 | C15 | 120.6° | 119.9° |
| C11 | C16 | H5 | 119.7° | 120.1° |
| C5 | C7 | N9 | 123.8° | 120.0° |
| C5 | C7 | O8 | 118.5° | 120.0° |
| C16 | C15 | H4 | 119.3° | 120.0° |
| C15 | C16 | H5 | 119.7° | 120.0° |
| N9 | C7 | O8 | 117.7° | 120.0° |
| C7 | N9 | H14 | 120.0° | 120.0° |
| C7 | N9 | H15 | 120.0° | 120.0° |
| H7 | C24 | H8 | 109.5° | 109.3° |
| H9 | C27 | H10 | 109.5° | 109.7° |
| H11 | C31 | H12 | 109.5° | 109.5° |
| H11 | C31 | H13 | 109.4° | 109.4° |
| H12 | C31 | H13 | 109.5° | 109.5° |
| H14 | N9 | H15 | 120.0° | 120.0° |
| H21 | C28 | H22 | 109.5° | 109.3° |
| H23 | C29 | H24 | 109.5° | 109.5° |
| H23 | C29 | H25 | 109.5° | 109.5° |
| H24 | C29 | H25 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | O30 | C19 | C20 | 0.4° | 0.0° |
| C31 | O30 | C19 | C18 | 179.5° | 180.0° |
| O30 | C31 | H11 | H12 | 120.0° | 120.0° |
| O30 | C31 | H11 | H13 | 120.0° | 120.0° |
| O30 | C31 | H12 | H13 | 120.0° | 120.0° |
| C27 | C28 | C21 | H21 | 120.7° | 120.1° |
| C27 | C28 | C21 | H22 | 120.7° | 120.2° |
| C27 | C28 | C21 | C20 | 176.3° | 163.3° |
| C28 | C27 | N25 | H9 | 120.7° | 119.7° |
| C28 | C27 | N25 | H10 | 120.7° | 119.8° |
| C27 | C28 | C21 | C22 | 5.2° | 17.0° |
| C28 | C27 | N25 | C29 | 175.7° | 165.3° |
| C28 | C27 | N25 | C24 | 52.6° | 71.3° |
| C28 | C27 | H9 | H10 | 117.8° | 120.6° |
| C27 | C28 | H21 | H22 | 117.8° | 119.7° |
| C28 | C21 | C20 | C22 | 178.4° | 179.7° |
| C28 | C21 | C20 | C19 | 179.7° | 179.3° |
| C21 | C28 | C27 | N25 | 29.9° | 50.4° |
| C28 | C21 | C22 | C24 | 2.1° | 0.6° |
| C28 | C21 | C22 | C23 | 179.5° | 179.0° |
| C21 | C28 | C27 | H9 | 90.8° | 170.1° |
| C21 | C28 | C27 | H10 | 150.6° | 69.3° |
| C28 | C21 | C20 | H19 | 0.4° | 0.5° |
| C21 | C28 | H21 | H22 | 117.8° | 119.8° |
| C21 | C20 | C19 | H19 | 180.0° | 179.8° |
| C21 | C20 | C19 | O30 | 179.9° | 180.0° |
| C21 | C20 | C19 | C18 | 0.0° | 0.0° |
| C20 | C21 | C22 | C24 | 179.5° | 179.7° |
| C20 | C21 | C22 | C23 | 1.1° | 0.7° |
| C20 | C21 | C28 | H21 | 63.0° | 43.1° |
| C20 | C21 | C28 | H22 | 55.6° | 76.5° |
| C19 | C20 | C21 | C22 | 1.2° | 0.4° |
| C20 | C19 | O30 | C18 | 180.0° | 180.0° |
| C20 | C19 | C18 | C23 | 1.2° | 0.1° |
| C20 | C19 | C18 | N17 | 178.8° | 179.7° |
| C27 | N25 | C29 | C24 | 124.6° | 123.0° |
| C27 | N25 | C24 | C22 | 48.5° | 52.6° |
| C27 | N25 | C24 | H7 | 72.1° | 172.9° |
| C27 | N25 | C24 | H8 | 169.1° | 67.6° |
| N25 | C27 | H9 | H10 | 117.8° | 120.4° |
| N25 | C27 | C28 | H21 | 90.8° | 170.6° |
| N25 | C27 | C28 | H22 | 150.6° | 69.8° |
| C27 | N25 | C29 | H23 | 180.0° | 60.0° |
| C27 | N25 | C29 | H24 | 60.0° | 180.0° |
| C27 | N25 | C29 | H25 | 60.0° | 60.0° |
| C21 | C22 | C24 | N25 | 23.6° | 17.7° |
| C21 | C22 | C24 | C23 | 178.4° | 179.6° |
| C21 | C22 | C23 | C18 | 0.1° | 0.7° |
| C21 | C22 | C23 | H6 | 179.9° | 179.3° |
| C21 | C22 | C24 | H7 | 97.0° | 138.0° |
| C21 | C22 | C24 | H8 | 144.2° | 102.5° |
| C22 | C21 | C20 | H19 | 178.8° | 179.8° |
| C22 | C21 | C28 | H21 | 115.4° | 137.1° |
| C22 | C21 | C28 | H22 | 126.0° | 103.2° |
| O30 | C19 | C18 | C23 | 178.9° | 179.9° |
| O30 | C19 | C18 | N17 | 1.3° | 0.4° |
| C19 | O30 | C31 | H11 | 180.0° | 60.0° |
| C19 | O30 | C31 | H12 | 60.0° | 60.0° |
| C19 | O30 | C31 | H13 | 60.0° | 179.9° |
| O30 | C19 | C20 | H19 | 0.1° | 0.3° |
| C19 | C18 | C23 | C22 | 1.3° | 0.2° |
| C19 | C18 | C23 | N17 | 177.3° | 179.7° |
| C19 | C18 | N17 | C2 | 164.2° | 155.2° |
| C19 | C18 | C23 | H6 | 178.8° | 179.8° |
| C19 | C18 | N17 | H18 | 15.8° | 24.8° |
| C18 | C19 | C20 | H19 | 180.0° | 179.8° |
| C29 | N25 | C24 | C22 | 169.6° | 176.0° |
| C29 | N25 | C24 | H7 | 49.0° | 63.7° |
| C29 | N25 | C24 | H8 | 69.8° | 55.8° |
| C29 | N25 | C27 | H9 | 55.0° | 45.6° |
| C29 | N25 | C27 | H10 | 63.6° | 74.9° |
| N25 | C29 | H23 | H24 | 120.0° | 120.0° |
| N25 | C29 | H23 | H25 | 120.0° | 120.0° |
| N25 | C29 | H24 | H25 | 120.0° | 120.0° |
| N25 | C24 | C22 | H7 | 120.6° | 120.3° |
| N25 | C24 | C22 | H8 | 120.6° | 120.2° |
| N25 | C24 | C22 | C23 | 158.0° | 161.9° |
| N25 | C24 | H7 | H8 | 118.2° | 119.4° |
| C24 | N25 | C27 | H9 | 68.1° | 169.0° |
| C24 | N25 | C27 | H10 | 173.3° | 48.6° |
| C24 | N25 | C29 | H23 | 55.4° | 177.0° |
| C24 | N25 | C29 | H24 | 64.6° | 57.0° |
| C24 | N25 | C29 | H25 | 175.4° | 63.0° |
| C24 | C22 | C23 | C18 | 178.3° | 179.7° |
| C24 | C22 | C23 | H6 | 1.7° | 0.3° |
| C22 | C24 | H7 | H8 | 118.2° | 119.5° |
| C22 | C23 | C18 | H6 | 180.0° | 180.0° |
| C22 | C23 | C18 | N17 | 178.6° | 180.0° |
| C23 | C22 | C24 | H7 | 81.4° | 41.6° |
| C23 | C22 | C24 | H8 | 37.4° | 77.9° |
| C23 | C18 | N17 | C2 | 18.4° | 25.0° |
| C23 | C18 | N17 | H18 | 161.6° | 155.0° |
| C18 | N17 | C2 | H18 | 180.0° | 180.0° |
| C18 | N17 | C2 | N1 | 172.8° | 9.4° |
| C18 | N17 | C2 | N3 | 8.2° | 170.3° |
| N17 | C18 | C23 | H6 | 1.4° | 0.0° |
| N17 | C2 | N1 | N3 | 179.1° | 179.7° |
| N17 | C2 | N1 | C6 | 179.7° | 179.7° |
| N17 | C2 | N3 | C4 | 179.4° | 179.7° |
| N1 | C2 | N3 | C4 | 1.6° | 0.0° |
| C2 | N1 | C6 | C5 | 0.3° | 0.0° |
| C2 | N1 | C6 | H1 | 179.7° | 180.0° |
| N1 | C2 | N17 | H18 | 7.2° | 170.6° |
| N3 | C2 | N1 | C6 | 0.6° | 0.0° |
| C2 | N3 | C4 | C5 | 1.9° | 0.0° |
| C2 | N3 | C4 | N10 | 179.8° | 180.0° |
| N3 | C2 | N17 | H18 | 171.8° | 9.7° |
| N1 | C6 | C5 | H1 | 180.0° | 179.9° |
| N1 | C6 | C5 | C4 | 0.7° | 0.0° |
| N1 | C6 | C5 | C7 | 179.1° | 180.0° |
| N3 | C4 | C5 | C6 | 1.4° | 0.0° |
| N3 | C4 | C5 | N10 | 178.3° | 180.0° |
| N3 | C4 | N10 | C11 | 1.4° | 8.6° |
| N3 | C4 | C5 | C7 | 179.8° | 180.0° |
| N3 | C4 | N10 | H2 | 178.6° | 171.4° |
| C12 | C13 | C14 | H16 | 180.0° | 179.9° |
| C13 | C12 | C11 | H3 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.1° | 0.3° |
| C13 | C12 | C11 | N10 | 178.7° | 180.0° |
| C13 | C12 | C11 | C16 | 1.9° | 0.2° |
| C12 | C13 | C14 | H17 | 179.9° | 180.0° |
| C14 | C13 | C12 | C11 | 1.2° | 0.0° |
| C13 | C14 | C15 | H17 | 180.0° | 179.8° |
| C13 | C14 | C15 | C16 | 0.4° | 0.3° |
| C14 | C13 | C12 | H3 | 178.8° | 180.0° |
| C13 | C14 | C15 | H4 | 179.7° | 179.7° |
| C12 | C11 | N10 | C4 | 26.0° | 27.1° |
| C12 | C11 | N10 | C16 | 176.9° | 179.8° |
| C12 | C11 | C16 | C15 | 1.5° | 0.2° |
| C12 | C11 | N10 | H2 | 154.0° | 152.9° |
| C12 | C11 | C16 | H5 | 178.6° | 179.7° |
| C11 | C12 | C13 | H16 | 178.8° | 180.0° |
| C6 | C5 | C4 | C7 | 178.4° | 180.0° |
| C6 | C5 | C4 | N10 | 179.7° | 180.0° |
| C6 | C5 | C7 | N9 | 29.6° | 8.4° |
| C6 | C5 | C7 | O8 | 151.9° | 171.6° |
| C14 | C15 | C16 | C11 | 0.4° | 0.0° |
| C14 | C15 | C16 | H4 | 180.0° | 180.0° |
| C14 | C15 | C16 | H5 | 179.6° | 180.0° |
| C15 | C14 | C13 | H16 | 179.9° | 179.8° |
| C5 | C4 | N10 | C11 | 179.6° | 171.4° |
| C4 | C5 | C7 | N9 | 152.0° | 171.6° |
| C4 | C5 | C7 | O8 | 26.5° | 8.4° |
| C4 | C5 | C6 | H1 | 179.3° | 180.0° |
| C5 | C4 | N10 | H2 | 0.4° | 8.6° |
| C4 | N10 | C11 | H2 | 180.0° | 180.0° |
| C4 | N10 | C11 | C16 | 157.1° | 152.7° |
| N10 | C4 | C5 | C7 | 1.8° | 0.0° |
| N10 | C11 | C16 | C15 | 178.6° | 180.0° |
| N10 | C11 | C12 | H3 | 1.3° | 0.0° |
| N10 | C11 | C16 | H5 | 1.4° | 0.0° |
| C11 | C16 | C15 | H5 | 180.0° | 179.9° |
| C16 | C11 | N10 | H2 | 22.9° | 27.4° |
| C16 | C11 | C12 | H3 | 178.1° | 179.8° |
| C11 | C16 | C15 | H4 | 179.6° | 180.0° |
| C5 | C7 | N9 | O8 | 178.5° | 180.0° |
| C7 | C5 | C6 | H1 | 0.8° | 0.1° |
| C5 | C7 | N9 | H14 | 178.5° | 0.0° |
| C5 | C7 | N9 | H15 | 1.5° | 180.0° |
| C16 | C15 | C14 | H17 | 179.6° | 180.0° |
| C7 | N9 | H14 | H15 | 180.0° | 180.0° |
| O8 | C7 | N9 | H14 | 0.0° | 180.0° |
| O8 | C7 | N9 | H15 | 180.0° | 0.0° |
| H3 | C12 | C13 | H16 | 1.3° | 0.0° |
| H4 | C15 | C16 | H5 | 0.4° | 0.1° |
| H4 | C15 | C14 | H17 | 0.3° | 0.0° |
| H9 | C27 | C28 | H21 | 148.5° | 69.8° |
| H9 | C27 | C28 | H22 | 29.9° | 49.9° |
| H10 | C27 | C28 | H21 | 29.9° | 50.8° |
| H10 | C27 | C28 | H22 | 88.7° | 170.5° |
| H11 | C31 | H12 | H13 | 120.0° | 119.9° |
| H16 | C13 | C14 | H17 | 0.1° | 0.0° |
| H23 | C29 | H24 | H25 | 120.0° | 120.0° |
