OYZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C26 | doub | 1.38Å | 1.36Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.42Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C24 | sing | 1.40Å | 1.35Å | Aromatic |
| C23 | C22 | sing | 1.48Å | 1.40Å | |
| C21 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | O29 | sing | 1.36Å | 1.34Å | |
| C22 | C32 | sing | 1.40Å | 1.41Å | Aromatic |
| C20 | C19 | doub | 1.40Å | 1.42Å | Aromatic |
| O29 | C30 | sing | 1.43Å | 1.46Å | |
| C30 | C31 | sing | 1.53Å | 1.54Å | |
| C32 | C33 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C33 | sing | 1.40Å | 1.38Å | Aromatic |
| C19 | C1 | sing | 1.48Å | 1.41Å | |
| N10 | C1 | doub | 1.32Å | 1.32Å | Aromatic |
| N10 | C9 | sing | 1.33Å | 1.34Å | Aromatic |
| C1 | C2 | sing | 1.41Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.51Å | 1.35Å | |
| C8 | N7 | sing | 1.45Å | 1.33Å | |
| C9 | C4 | doub | 1.38Å | 1.37Å | Aromatic |
| N18 | C17 | trip | 1.14Å | 1.14Å | |
| C17 | C2 | sing | 1.43Å | 1.38Å | |
| C2 | C3 | doub | 1.41Å | 1.38Å | Aromatic |
| N7 | C6 | doub | 1.26Å | 1.30Å | |
| C4 | C3 | sing | 1.40Å | 1.37Å | Aromatic |
| C4 | C5 | sing | 1.50Å | 1.36Å | |
| C3 | N11 | sing | 1.39Å | 1.35Å | |
| C6 | C5 | sing | 1.50Å | 1.37Å | |
| N11 | C12 | sing | 1.47Å | 1.52Å | |
| C12 | C16 | sing | 1.53Å | 1.55Å | |
| C12 | C13 | sing | 1.51Å | 1.56Å | |
| C13 | O15 | doub | 1.21Å | 1.23Å | |
| C13 | O14 | sing | 1.34Å | 1.23Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.08Å | 1.08Å | |
| C21 | H7 | sing | 1.08Å | 1.08Å | |
| C26 | H8 | sing | 1.08Å | 1.08Å | |
| C28 | H9 | sing | 1.08Å | 1.08Å | |
| C31 | H10 | sing | 1.09Å | 1.10Å | |
| C31 | H11 | sing | 1.09Å | 1.10Å | |
| C31 | H12 | sing | 1.09Å | 1.10Å | |
| C30 | H13 | sing | 1.09Å | 1.10Å | |
| C30 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.08Å | 1.08Å | |
| C27 | H16 | sing | 1.08Å | 1.08Å | |
| C32 | H17 | sing | 1.08Å | 1.08Å | |
| C33 | H18 | sing | 1.08Å | 1.08Å | |
| N11 | H19 | sing | 1.01Å | 1.00Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| O14 | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C27 | C28 | 121.4° | 120.3° |
| C27 | C26 | C25 | 117.2° | 120.3° |
| C27 | C26 | H8 | 121.4° | 119.9° |
| C26 | C27 | H16 | 119.3° | 119.8° |
| C27 | C28 | C23 | 121.1° | 119.9° |
| C27 | C28 | H9 | 119.5° | 120.0° |
| C28 | C27 | H16 | 119.3° | 119.9° |
| C26 | C25 | C24 | 120.5° | 120.1° |
| C25 | C26 | H8 | 121.4° | 119.8° |
| C26 | C25 | H15 | 119.8° | 119.9° |
| C28 | C23 | C24 | 116.8° | 119.7° |
| C28 | C23 | C22 | 118.3° | 120.1° |
| C23 | C28 | H9 | 119.4° | 120.0° |
| C25 | C24 | C23 | 122.9° | 119.8° |
| C25 | C24 | O29 | 121.0° | 120.2° |
| C24 | C25 | H15 | 119.7° | 120.0° |
| C24 | C23 | C22 | 124.8° | 120.2° |
| C23 | C24 | O29 | 116.0° | 120.1° |
| C23 | C22 | C21 | 120.4° | 120.0° |
| C23 | C22 | C32 | 121.8° | 119.9° |
| C22 | C21 | C20 | 123.1° | 120.0° |
| C21 | C22 | C32 | 117.7° | 120.1° |
| C22 | C21 | H7 | 118.5° | 120.0° |
| C21 | C20 | C19 | 119.3° | 120.0° |
| C21 | C20 | H6 | 120.4° | 120.0° |
| C20 | C21 | H7 | 118.5° | 120.0° |
| C24 | O29 | C30 | 113.5° | 117.0° |
| C22 | C32 | C33 | 119.0° | 120.0° |
| C22 | C32 | H17 | 120.5° | 120.0° |
| C20 | C19 | C33 | 117.1° | 120.0° |
| C20 | C19 | C1 | 120.8° | 120.0° |
| C19 | C20 | H6 | 120.4° | 120.0° |
| O29 | C30 | C31 | 101.1° | 109.4° |
| O29 | C30 | H13 | 111.5° | 109.5° |
| O29 | C30 | H14 | 111.5° | 109.4° |
| C30 | C31 | H10 | 109.5° | 109.6° |
| C30 | C31 | H11 | 109.5° | 109.4° |
| C30 | C31 | H12 | 109.5° | 109.5° |
| C31 | C30 | H13 | 111.5° | 109.5° |
| C31 | C30 | H14 | 111.5° | 109.5° |
| C32 | C33 | C19 | 123.9° | 120.0° |
| C33 | C32 | H17 | 120.5° | 120.0° |
| C32 | C33 | H18 | 118.1° | 120.0° |
| C33 | C19 | C1 | 122.1° | 120.0° |
| C19 | C33 | H18 | 118.0° | 120.0° |
| C19 | C1 | N10 | 118.0° | 119.8° |
| C19 | C1 | C2 | 124.5° | 119.8° |
| C1 | N10 | C9 | 121.7° | 122.4° |
| N10 | C1 | C2 | 117.5° | 120.4° |
| N10 | C9 | C8 | 120.7° | 118.6° |
| N10 | C9 | C4 | 122.3° | 120.7° |
| C1 | C2 | C17 | 117.3° | 120.8° |
| C1 | C2 | C3 | 121.7° | 118.3° |
| C9 | C8 | N7 | 123.3° | 111.9° |
| C8 | C9 | C4 | 116.9° | 120.7° |
| C9 | C8 | H4 | 105.9° | 109.1° |
| C9 | C8 | H5 | 105.9° | 109.0° |
| C8 | N7 | C6 | 119.7° | 124.8° |
| N7 | C8 | H4 | 105.9° | 109.0° |
| N7 | C8 | H5 | 105.9° | 108.9° |
| C9 | C4 | C3 | 118.4° | 119.7° |
| C9 | C4 | C5 | 119.8° | 121.1° |
| N18 | C17 | C2 | 172.2° | 180.0° |
| C17 | C2 | C3 | 121.0° | 120.9° |
| C2 | C3 | C4 | 118.2° | 118.4° |
| C2 | C3 | N11 | 123.9° | 120.8° |
| N7 | C6 | C5 | 120.9° | 123.6° |
| N7 | C6 | H3 | 119.5° | 118.2° |
| C3 | C4 | C5 | 121.8° | 119.2° |
| C4 | C3 | N11 | 117.9° | 120.8° |
| C4 | C5 | C6 | 119.3° | 110.9° |
| C4 | C5 | H1 | 106.9° | 109.2° |
| C4 | C5 | H2 | 107.0° | 109.2° |
| C3 | N11 | C12 | 125.6° | 111.0° |
| C3 | N11 | H19 | 105.3° | 111.0° |
| C6 | C5 | H1 | 107.0° | 109.2° |
| C6 | C5 | H2 | 107.0° | 109.1° |
| C5 | C6 | H3 | 119.6° | 118.2° |
| N11 | C12 | C16 | 120.8° | 109.5° |
| N11 | C12 | C13 | 111.6° | 109.5° |
| C12 | N11 | H19 | 105.3° | 111.0° |
| N11 | C12 | H20 | 106.0° | 109.5° |
| C16 | C12 | C13 | 106.2° | 109.5° |
| C16 | C12 | H20 | 105.7° | 109.4° |
| C12 | C16 | H21 | 109.5° | 109.4° |
| C12 | C16 | H22 | 109.4° | 109.5° |
| C12 | C16 | H23 | 109.5° | 109.5° |
| C12 | C13 | O15 | 119.6° | 120.0° |
| C12 | C13 | O14 | 115.1° | 120.0° |
| C13 | C12 | H20 | 105.5° | 109.5° |
| O15 | C13 | O14 | 125.2° | 120.0° |
| C13 | O14 | H24 | 109.5° | 117.0° |
| H1 | C5 | H2 | 109.5° | 109.2° |
| H4 | C8 | H5 | 109.5° | 108.9° |
| H10 | C31 | H11 | 109.4° | 109.5° |
| H10 | C31 | H12 | 109.5° | 109.5° |
| H11 | C31 | H12 | 109.5° | 109.4° |
| H13 | C30 | H14 | 109.5° | 109.5° |
| H21 | C16 | H22 | 109.5° | 109.5° |
| H21 | C16 | H23 | 109.5° | 109.4° |
| H22 | C16 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C27 | C28 | H16 | 180.0° | 179.7° |
| C27 | C26 | C25 | H8 | 180.0° | 179.9° |
| C26 | C27 | C28 | C23 | 2.0° | 0.3° |
| C27 | C26 | C25 | C24 | 1.8° | 0.0° |
| C26 | C27 | C28 | H9 | 178.1° | 179.7° |
| C27 | C26 | C25 | H15 | 178.2° | 180.0° |
| C28 | C27 | C26 | C25 | 0.3° | 0.3° |
| C27 | C28 | C23 | H9 | 180.0° | 179.9° |
| C27 | C28 | C23 | C24 | 2.5° | 0.1° |
| C27 | C28 | C23 | C22 | 179.0° | 180.0° |
| C28 | C27 | C26 | H8 | 179.7° | 179.7° |
| C26 | C25 | C24 | H15 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 1.3° | 0.2° |
| C26 | C25 | C24 | O29 | 179.8° | 180.0° |
| C25 | C26 | C27 | H16 | 179.7° | 180.0° |
| C28 | C23 | C24 | C25 | 0.9° | 0.2° |
| C28 | C23 | C24 | C22 | 176.2° | 179.9° |
| C28 | C23 | C22 | C21 | 36.2° | 50.1° |
| C28 | C23 | C24 | O29 | 178.0° | 180.0° |
| C28 | C23 | C22 | C32 | 139.7° | 130.0° |
| C23 | C28 | C27 | H16 | 178.0° | 180.0° |
| C25 | C24 | C23 | O29 | 178.9° | 179.8° |
| C25 | C24 | C23 | C22 | 177.1° | 179.7° |
| C25 | C24 | O29 | C30 | 11.6° | 0.0° |
| C24 | C25 | C26 | H8 | 178.1° | 179.9° |
| C24 | C23 | C22 | C21 | 147.7° | 130.0° |
| C24 | C23 | C22 | C32 | 36.5° | 49.9° |
| C23 | C24 | O29 | C30 | 167.4° | 179.8° |
| C24 | C23 | C28 | H9 | 177.5° | 180.0° |
| C23 | C24 | C25 | H15 | 178.7° | 179.8° |
| C23 | C22 | C21 | C32 | 176.0° | 179.9° |
| C23 | C22 | C21 | C20 | 177.5° | 180.0° |
| C22 | C23 | C24 | O29 | 1.8° | 0.1° |
| C23 | C22 | C32 | C33 | 177.3° | 180.0° |
| C23 | C22 | C21 | H7 | 2.5° | 0.0° |
| C22 | C23 | C28 | H9 | 1.1° | 0.1° |
| C23 | C22 | C32 | H17 | 2.7° | 0.0° |
| C22 | C21 | C20 | H7 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 0.7° | 0.1° |
| C21 | C22 | C32 | C33 | 1.4° | 0.0° |
| C22 | C21 | C20 | H6 | 179.3° | 179.8° |
| C21 | C22 | C32 | H17 | 178.6° | 180.0° |
| C20 | C21 | C22 | C32 | 1.5° | 0.1° |
| C21 | C20 | C19 | H6 | 180.0° | 179.7° |
| C21 | C20 | C19 | C33 | 0.2° | 0.0° |
| C21 | C20 | C19 | C1 | 179.4° | 179.7° |
| C24 | O29 | C30 | C31 | 177.6° | 180.0° |
| C24 | O29 | C30 | H13 | 58.9° | 60.0° |
| C24 | O29 | C30 | H14 | 63.8° | 60.0° |
| O29 | C24 | C25 | H15 | 0.2° | 0.0° |
| C22 | C32 | C33 | H17 | 180.0° | 180.0° |
| C22 | C32 | C33 | C19 | 0.6° | 0.0° |
| C32 | C22 | C21 | H7 | 178.6° | 180.0° |
| C22 | C32 | C33 | H18 | 179.4° | 179.9° |
| C20 | C19 | C33 | C32 | 0.2° | 0.0° |
| C20 | C19 | C33 | C1 | 179.6° | 179.7° |
| C20 | C19 | C1 | N10 | 47.5° | 35.4° |
| C20 | C19 | C1 | C2 | 130.3° | 144.9° |
| C19 | C20 | C21 | H7 | 179.3° | 180.0° |
| C20 | C19 | C33 | H18 | 179.8° | 179.9° |
| O29 | C30 | C31 | H13 | 118.6° | 120.0° |
| O29 | C30 | C31 | H14 | 118.6° | 119.9° |
| O29 | C30 | C31 | H10 | 180.0° | 60.0° |
| O29 | C30 | C31 | H11 | 60.0° | 180.0° |
| O29 | C30 | C31 | H12 | 60.0° | 60.1° |
| O29 | C30 | H13 | H14 | 123.9° | 120.0° |
| C30 | C31 | H10 | H11 | 120.0° | 120.0° |
| C30 | C31 | H10 | H12 | 120.0° | 120.1° |
| C30 | C31 | H11 | H12 | 120.0° | 119.9° |
| C31 | C30 | H13 | H14 | 123.9° | 120.0° |
| C32 | C33 | C19 | H18 | 180.0° | 179.9° |
| C32 | C33 | C19 | C1 | 179.3° | 179.7° |
| C33 | C19 | C1 | N10 | 132.9° | 144.3° |
| C33 | C19 | C1 | C2 | 49.2° | 35.3° |
| C33 | C19 | C20 | H6 | 179.9° | 179.7° |
| C19 | C33 | C32 | H17 | 179.4° | 180.0° |
| C19 | C1 | N10 | C2 | 178.0° | 179.6° |
| C19 | C1 | N10 | C9 | 177.9° | 179.8° |
| C19 | C1 | C2 | C17 | 0.1° | 0.0° |
| C19 | C1 | C2 | C3 | 178.7° | 179.9° |
| C1 | C19 | C20 | H6 | 0.6° | 0.0° |
| C1 | C19 | C33 | H18 | 0.7° | 0.4° |
| C1 | N10 | C9 | C8 | 179.9° | 179.5° |
| C1 | N10 | C9 | C4 | 1.5° | 0.4° |
| N10 | C1 | C2 | C17 | 178.0° | 179.7° |
| N10 | C1 | C2 | C3 | 3.4° | 0.3° |
| C9 | N10 | C1 | C2 | 0.1° | 0.6° |
| N10 | C9 | C8 | C4 | 178.5° | 179.9° |
| N10 | C9 | C8 | N7 | 179.5° | 159.4° |
| N10 | C9 | C4 | C3 | 0.6° | 0.0° |
| N10 | C9 | C4 | C5 | 179.3° | 179.7° |
| N10 | C9 | C8 | H4 | 57.6° | 38.7° |
| N10 | C9 | C8 | H5 | 58.7° | 80.1° |
| C1 | C2 | C17 | N18 | 7.9° | 61.6° |
| C1 | C2 | C17 | C3 | 178.6° | 180.0° |
| C1 | C2 | C3 | C4 | 5.5° | 0.1° |
| C1 | C2 | C3 | N11 | 175.9° | 179.9° |
| C9 | C8 | N7 | H4 | 121.9° | 120.7° |
| C9 | C8 | N7 | H5 | 121.9° | 120.6° |
| C9 | C8 | N7 | C6 | 1.5° | 21.1° |
| C8 | C9 | C4 | C3 | 177.9° | 179.9° |
| C8 | C9 | C4 | C5 | 2.3° | 0.4° |
| C9 | C8 | H4 | H5 | 113.8° | 118.8° |
| N7 | C8 | C9 | C4 | 2.0° | 20.7° |
| C8 | N7 | C6 | C5 | 1.2° | 0.1° |
| C8 | N7 | C6 | H3 | 178.9° | 180.0° |
| N7 | C8 | H4 | H5 | 113.8° | 118.7° |
| C9 | C4 | C3 | C2 | 3.9° | 0.2° |
| C9 | C4 | C3 | C5 | 179.8° | 179.7° |
| C9 | C4 | C3 | N11 | 177.3° | 179.8° |
| C9 | C4 | C5 | C6 | 2.0° | 19.8° |
| C9 | C4 | C5 | H1 | 123.4° | 100.6° |
| C9 | C4 | C5 | H2 | 119.4° | 140.0° |
| C4 | C9 | C8 | H4 | 123.9° | 141.3° |
| C4 | C9 | C8 | H5 | 119.8° | 99.9° |
| N18 | C17 | C2 | C3 | 170.7° | 118.4° |
| C17 | C2 | C3 | C4 | 176.0° | 179.9° |
| C17 | C2 | C3 | N11 | 2.6° | 0.1° |
| C2 | C3 | C4 | N11 | 178.7° | 180.0° |
| C2 | C3 | C4 | C5 | 175.9° | 179.9° |
| C2 | C3 | N11 | C12 | 36.2° | 60.0° |
| C2 | C3 | N11 | H19 | 86.0° | 64.0° |
| N7 | C6 | C5 | C4 | 1.5° | 20.9° |
| N7 | C6 | C5 | H3 | 180.0° | 179.9° |
| N7 | C6 | C5 | H1 | 122.8° | 99.4° |
| N7 | C6 | C5 | H2 | 120.0° | 141.2° |
| C6 | N7 | C8 | H4 | 123.4° | 141.8° |
| C6 | N7 | C8 | H5 | 120.4° | 99.5° |
| C3 | C4 | C5 | C6 | 178.1° | 159.9° |
| C4 | C3 | N11 | C12 | 145.2° | 120.0° |
| C3 | C4 | C5 | H1 | 56.7° | 79.7° |
| C3 | C4 | C5 | H2 | 60.5° | 39.7° |
| C4 | C3 | N11 | H19 | 92.7° | 116.0° |
| C5 | C4 | C3 | N11 | 2.8° | 0.1° |
| C4 | C5 | C6 | H1 | 121.4° | 120.4° |
| C4 | C5 | C6 | H2 | 121.4° | 120.3° |
| C4 | C5 | H1 | H2 | 115.5° | 119.4° |
| C4 | C5 | C6 | H3 | 178.6° | 159.1° |
| C3 | N11 | C12 | H19 | 122.1° | 123.9° |
| C3 | N11 | C12 | C16 | 37.2° | 85.0° |
| C3 | N11 | C12 | C13 | 162.9° | 155.0° |
| C3 | N11 | C12 | H20 | 82.7° | 34.9° |
| C6 | C5 | H1 | H2 | 115.6° | 119.3° |
| N11 | C12 | C16 | C13 | 128.2° | 120.1° |
| N11 | C12 | C16 | H20 | 120.1° | 120.0° |
| N11 | C12 | C13 | H20 | 114.7° | 120.0° |
| N11 | C12 | C13 | O15 | 11.9° | 0.0° |
| N11 | C12 | C13 | O14 | 167.5° | 180.0° |
| N11 | C12 | C16 | H21 | 180.0° | 60.1° |
| N11 | C12 | C16 | H22 | 60.0° | 59.9° |
| N11 | C12 | C16 | H23 | 60.0° | 180.0° |
| C16 | C12 | C13 | H20 | 111.9° | 119.9° |
| C16 | C12 | C13 | O15 | 121.6° | 120.1° |
| C16 | C12 | C13 | O14 | 59.1° | 60.0° |
| C16 | C12 | N11 | H19 | 159.3° | 151.1° |
| C12 | C16 | H21 | H22 | 120.0° | 120.0° |
| C12 | C16 | H21 | H23 | 120.0° | 120.0° |
| C12 | C16 | H22 | H23 | 120.0° | 120.1° |
| C12 | C13 | O15 | O14 | 179.3° | 180.0° |
| C13 | C12 | N11 | H19 | 74.9° | 31.1° |
| C13 | C12 | C16 | H21 | 51.8° | 60.0° |
| C13 | C12 | C16 | H22 | 68.2° | 180.0° |
| C13 | C12 | C16 | H23 | 171.8° | 59.9° |
| C12 | C13 | O14 | H24 | 179.3° | 180.0° |
| O15 | C13 | C12 | H20 | 126.6° | 120.0° |
| O15 | C13 | O14 | H24 | 0.0° | 0.0° |
| O14 | C13 | C12 | H20 | 52.8° | 60.0° |
| H1 | C5 | C6 | H3 | 57.2° | 80.5° |
| H2 | C5 | C6 | H3 | 60.0° | 38.8° |
| H6 | C20 | C21 | H7 | 0.7° | 0.3° |
| H8 | C26 | C25 | H15 | 1.9° | 0.1° |
| H8 | C26 | C27 | H16 | 0.3° | 0.1° |
| H9 | C28 | C27 | H16 | 1.9° | 0.0° |
| H10 | C31 | H11 | H12 | 120.0° | 120.0° |
| H10 | C31 | C30 | H13 | 61.4° | 180.0° |
| H10 | C31 | C30 | H14 | 61.4° | 59.9° |
| H11 | C31 | C30 | H13 | 178.7° | 60.0° |
| H11 | C31 | C30 | H14 | 58.6° | 60.1° |
| H12 | C31 | C30 | H13 | 58.6° | 59.9° |
| H12 | C31 | C30 | H14 | 178.6° | NaN° |
| H17 | C32 | C33 | H18 | 0.6° | 0.1° |
| H19 | N11 | C12 | H20 | 39.4° | 89.0° |
| H20 | C12 | C16 | H21 | 59.9° | 180.0° |
| H20 | C12 | C16 | H22 | 179.9° | 60.0° |
| H20 | C12 | C16 | H23 | 60.1° | 60.0° |
| H21 | C16 | H22 | H23 | 120.0° | 120.0° |
