BGZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| O4 | C6 | sing | 1.43Å | 1.44Å | |
| C6 | C8 | sing | 1.53Å | 1.54Å | |
| C1 | O1 | sing | 1.34Å | 1.34Å | |
| C1 | O2 | doub | 1.21Å | 1.20Å | |
| O1 | C13 | sing | 1.45Å | 1.44Å | |
| C8 | C9 | sing | 1.51Å | 1.49Å | |
| C8 | O5 | sing | 1.45Å | 1.46Å | |
| C15 | C14 | sing | 1.51Å | 1.50Å | |
| C9 | C10 | doub | 1.31Å | 1.32Å | |
| O5 | C29 | sing | 1.34Å | 1.35Å | |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| C13 | C11 | sing | 1.53Å | 1.53Å | |
| C14 | C16 | doub | 1.33Å | 1.33Å | |
| C10 | C11 | sing | 1.51Å | 1.50Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C29 | C30 | sing | 1.51Å | 1.49Å | |
| C29 | O6 | doub | 1.21Å | 1.20Å | |
| C16 | C17 | sing | 1.47Å | 1.43Å | |
| C17 | C18 | doub | 1.33Å | 1.33Å | |
| C18 | C19 | sing | 1.51Å | 1.50Å | |
| C19 | C21 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C22 | C23 | sing | 1.53Å | 1.46Å | |
| C22 | O7 | sing | 1.43Å | 1.45Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | O7 | sing | 1.43Å | 1.44Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C24 | C26 | sing | 1.53Å | 1.53Å | |
| O8 | C26 | sing | 1.43Å | 1.43Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C27 | C28 | sing | 1.53Å | 1.51Å | |
| C16 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C18 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C4 | H12 | sing | 1.09Å | 1.10Å | |
| C4 | H13 | sing | 1.09Å | 1.10Å | |
| C5 | H14 | sing | 1.09Å | 1.10Å | |
| C5 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H16 | sing | 1.09Å | 1.10Å | |
| C7 | H17 | sing | 1.09Å | 1.10Å | |
| C7 | H18 | sing | 1.09Å | 1.10Å | |
| O8 | H19 | sing | 0.97Å | 0.95Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å | |
| O3 | H31 | sing | 0.97Å | 0.95Å | |
| O4 | H32 | sing | 0.97Å | 0.95Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C21 | H35 | sing | 1.09Å | 1.10Å | |
| C19 | H36 | sing | 1.09Å | 1.10Å | |
| C20 | H37 | sing | 1.09Å | 1.10Å | |
| C20 | H38 | sing | 1.09Å | 1.10Å | |
| C20 | H39 | sing | 1.09Å | 1.10Å | |
| C10 | H40 | sing | 1.08Å | 1.08Å | |
| C9 | H41 | sing | 1.08Å | 1.08Å | |
| C8 | H42 | sing | 1.09Å | 1.10Å | |
| C30 | H43 | sing | 1.09Å | 1.10Å | |
| C30 | H44 | sing | 1.09Å | 1.10Å | |
| C30 | H45 | sing | 1.09Å | 1.10Å | |
| C12 | H46 | sing | 1.09Å | 1.10Å | |
| C12 | H47 | sing | 1.09Å | 1.10Å | |
| C12 | H48 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C3 | C2 | 109.0° | 109.5° |
| O3 | C3 | C4 | 109.1° | 109.5° |
| O3 | C3 | H11 | 109.5° | 109.4° |
| C3 | O3 | H31 | 109.5° | 114.0° |
| C2 | C3 | C4 | 112.8° | 109.5° |
| C3 | C2 | C1 | 117.7° | 109.5° |
| C3 | C2 | H9 | 107.4° | 109.5° |
| C3 | C2 | H10 | 107.4° | 109.5° |
| C2 | C3 | H11 | 108.2° | 109.5° |
| C3 | C4 | C5 | 112.3° | 109.4° |
| C4 | C3 | H11 | 108.3° | 109.5° |
| C3 | C4 | H12 | 108.8° | 109.5° |
| C3 | C4 | H13 | 108.8° | 109.5° |
| C4 | C5 | C6 | 117.0° | 109.5° |
| C5 | C4 | H12 | 108.8° | 109.5° |
| C5 | C4 | H13 | 108.8° | 109.4° |
| C4 | C5 | H14 | 107.6° | 109.4° |
| C4 | C5 | H15 | 107.6° | 109.5° |
| C5 | C6 | C7 | 110.7° | 109.5° |
| C5 | C6 | O4 | 107.1° | 109.4° |
| C5 | C6 | C8 | 111.1° | 109.5° |
| C6 | C5 | H14 | 107.5° | 109.5° |
| C6 | C5 | H15 | 107.6° | 109.5° |
| C2 | C1 | O1 | 111.1° | 120.0° |
| C2 | C1 | O2 | 125.0° | 120.0° |
| C1 | C2 | H9 | 107.4° | 109.5° |
| C1 | C2 | H10 | 107.3° | 109.5° |
| C7 | C6 | O4 | 108.9° | 109.5° |
| C7 | C6 | C8 | 110.3° | 109.5° |
| C6 | C7 | H16 | 109.5° | 109.5° |
| C6 | C7 | H17 | 109.5° | 109.5° |
| C6 | C7 | H18 | 109.5° | 109.5° |
| O4 | C6 | C8 | 108.6° | 109.4° |
| C6 | O4 | H32 | 109.5° | 114.0° |
| C6 | C8 | C9 | 112.1° | 109.5° |
| C6 | C8 | O5 | 107.7° | 109.5° |
| C6 | C8 | H42 | 109.1° | 109.5° |
| O1 | C1 | O2 | 123.9° | 120.0° |
| C1 | O1 | C13 | 117.1° | 117.0° |
| O1 | C13 | C14 | 109.2° | 109.5° |
| O1 | C13 | C11 | 106.0° | 109.5° |
| O1 | C13 | H7 | 110.1° | 109.5° |
| C9 | C8 | O5 | 108.0° | 109.4° |
| C8 | C9 | C10 | 125.0° | 120.0° |
| C8 | C9 | H41 | 117.5° | 120.0° |
| C9 | C8 | H42 | 109.7° | 109.4° |
| C8 | O5 | C29 | 117.5° | 117.0° |
| O5 | C8 | H42 | 110.1° | 109.5° |
| C15 | C14 | C13 | 116.5° | 120.0° |
| C15 | C14 | C16 | 124.4° | 120.0° |
| C14 | C15 | H2 | 109.5° | 109.5° |
| C14 | C15 | H3 | 109.4° | 109.5° |
| C14 | C15 | H4 | 109.5° | 109.5° |
| C9 | C10 | C11 | 126.1° | 120.0° |
| C9 | C10 | H40 | 116.9° | 120.0° |
| C10 | C9 | H41 | 117.5° | 120.0° |
| O5 | C29 | C30 | 111.0° | 120.0° |
| O5 | C29 | O6 | 123.1° | 120.0° |
| C14 | C13 | C11 | 113.6° | 109.5° |
| C13 | C14 | C16 | 119.1° | 120.0° |
| C14 | C13 | H7 | 109.1° | 109.5° |
| C13 | C11 | C10 | 109.9° | 109.5° |
| C13 | C11 | C12 | 111.7° | 109.5° |
| C11 | C13 | H7 | 108.8° | 109.5° |
| C13 | C11 | H8 | 108.1° | 109.5° |
| C14 | C16 | C17 | 127.0° | 120.0° |
| C14 | C16 | H1 | 116.5° | 120.0° |
| C10 | C11 | C12 | 110.4° | 109.5° |
| C10 | C11 | H8 | 108.5° | 109.4° |
| C11 | C10 | H40 | 116.9° | 120.0° |
| C20 | C19 | C18 | 111.4° | 109.5° |
| C20 | C19 | C21 | 111.3° | 109.5° |
| C20 | C19 | H36 | 108.3° | 109.5° |
| C19 | C20 | H37 | 109.5° | 109.5° |
| C19 | C20 | H38 | 109.5° | 109.5° |
| C19 | C20 | H39 | 109.5° | 109.5° |
| C12 | C11 | H8 | 108.2° | 109.4° |
| C11 | C12 | H46 | 109.5° | 109.4° |
| C11 | C12 | H47 | 109.4° | 109.5° |
| C11 | C12 | H48 | 109.5° | 109.5° |
| C30 | C29 | O6 | 125.8° | 120.0° |
| C29 | C30 | H43 | 109.5° | 109.5° |
| C29 | C30 | H44 | 109.5° | 109.4° |
| C29 | C30 | H45 | 109.5° | 109.5° |
| C16 | C17 | C18 | 124.5° | 120.0° |
| C17 | C16 | H1 | 116.5° | 120.0° |
| C16 | C17 | H5 | 117.7° | 120.0° |
| C17 | C18 | C19 | 121.1° | 120.0° |
| C18 | C17 | H5 | 117.8° | 120.0° |
| C17 | C18 | H6 | 119.4° | 120.0° |
| C18 | C19 | C21 | 109.0° | 109.5° |
| C19 | C18 | H6 | 119.5° | 120.0° |
| C18 | C19 | H36 | 108.6° | 109.5° |
| C19 | C21 | C22 | 115.3° | 109.5° |
| C19 | C21 | H34 | 108.0° | 109.5° |
| C19 | C21 | H35 | 108.0° | 109.5° |
| C21 | C19 | H36 | 108.2° | 109.4° |
| C21 | C22 | C23 | 124.1° | 117.8° |
| C21 | C22 | O7 | 116.3° | 117.8° |
| C21 | C22 | H20 | 114.4° | 115.8° |
| C22 | C21 | H34 | 108.0° | 109.4° |
| C22 | C21 | H35 | 108.0° | 109.4° |
| C23 | C22 | O7 | 59.5° | 57.6° |
| C22 | C23 | O7 | 59.8° | 57.7° |
| C22 | C23 | C24 | 119.4° | 117.7° |
| C23 | C22 | H20 | 115.5° | 117.8° |
| C22 | C23 | H33 | 117.0° | 117.8° |
| C22 | O7 | C23 | 60.7° | 64.7° |
| O7 | C22 | H20 | 115.7° | 117.8° |
| C25 | C24 | C23 | 111.5° | 109.5° |
| C25 | C24 | C26 | 111.7° | 109.5° |
| C24 | C25 | H22 | 109.5° | 109.5° |
| C24 | C25 | H23 | 109.5° | 109.5° |
| C24 | C25 | H24 | 109.5° | 109.5° |
| C25 | C24 | H25 | 107.3° | 109.5° |
| O7 | C23 | C24 | 116.4° | 117.8° |
| O7 | C23 | H33 | 117.3° | 117.8° |
| C23 | C24 | C26 | 111.4° | 109.4° |
| C23 | C24 | H25 | 107.3° | 109.4° |
| C24 | C23 | H33 | 115.6° | 115.7° |
| C24 | C26 | O8 | 109.3° | 109.5° |
| C24 | C26 | C27 | 109.9° | 109.4° |
| C24 | C26 | H21 | 108.9° | 109.4° |
| C26 | C24 | H25 | 107.2° | 109.5° |
| O8 | C26 | C27 | 109.3° | 109.5° |
| C26 | O8 | H19 | 109.5° | 114.0° |
| O8 | C26 | H21 | 110.3° | 109.5° |
| C26 | C27 | C28 | 113.6° | 109.5° |
| C27 | C26 | H21 | 109.1° | 109.5° |
| C26 | C27 | H29 | 108.4° | 109.5° |
| C26 | C27 | H30 | 108.4° | 109.5° |
| C27 | C28 | H26 | 109.5° | 109.5° |
| C27 | C28 | H27 | 109.5° | 109.5° |
| C27 | C28 | H28 | 109.5° | 109.4° |
| C28 | C27 | H29 | 108.5° | 109.4° |
| C28 | C27 | H30 | 108.4° | 109.4° |
| H2 | C15 | H3 | 109.5° | 109.5° |
| H2 | C15 | H4 | 109.5° | 109.4° |
| H3 | C15 | H4 | 109.5° | 109.5° |
| H9 | C2 | H10 | 109.4° | 109.5° |
| H12 | C4 | H13 | 109.4° | 109.5° |
| H14 | C5 | H15 | 109.5° | 109.4° |
| H16 | C7 | H17 | 109.5° | 109.5° |
| H16 | C7 | H18 | 109.5° | 109.5° |
| H17 | C7 | H18 | 109.5° | 109.5° |
| H22 | C25 | H23 | 109.5° | 109.4° |
| H22 | C25 | H24 | 109.4° | 109.5° |
| H23 | C25 | H24 | 109.5° | 109.5° |
| H26 | C28 | H27 | 109.5° | 109.5° |
| H26 | C28 | H28 | 109.4° | 109.5° |
| H27 | C28 | H28 | 109.5° | 109.5° |
| H29 | C27 | H30 | 109.4° | 109.5° |
| H34 | C21 | H35 | 109.5° | 109.5° |
| H37 | C20 | H38 | 109.4° | 109.4° |
| H37 | C20 | H39 | 109.5° | 109.5° |
| H38 | C20 | H39 | 109.5° | 109.5° |
| H43 | C30 | H44 | 109.5° | 109.5° |
| H43 | C30 | H45 | 109.5° | 109.5° |
| H44 | C30 | H45 | 109.4° | 109.5° |
| H46 | C12 | H47 | 109.5° | 109.5° |
| H46 | C12 | H48 | 109.5° | 109.5° |
| H47 | C12 | H48 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C3 | C2 | C4 | 121.3° | 120.0° |
| O3 | C3 | C2 | H11 | 119.0° | 120.0° |
| O3 | C3 | C4 | H11 | 119.1° | 120.0° |
| O3 | C3 | C4 | C5 | 178.2° | 123.7° |
| O3 | C3 | C2 | C1 | 67.9° | 159.8° |
| O3 | C3 | C2 | H9 | 170.9° | 39.8° |
| O3 | C3 | C2 | H10 | 53.2° | 80.2° |
| O3 | C3 | C4 | H12 | 61.4° | 116.3° |
| O3 | C3 | C4 | H13 | 57.7° | 3.7° |
| C2 | C3 | C4 | H11 | 119.7° | 120.1° |
| C2 | C3 | C4 | C5 | 60.6° | 116.3° |
| C3 | C2 | C1 | H9 | 121.2° | 120.0° |
| C3 | C2 | C1 | H10 | 121.2° | 120.1° |
| C3 | C2 | C1 | O1 | 117.2° | 104.4° |
| C3 | C2 | C1 | O2 | 63.0° | 75.6° |
| C3 | C2 | H9 | H10 | 116.3° | 120.0° |
| C2 | C3 | C4 | H12 | 59.9° | 3.7° |
| C2 | C3 | C4 | H13 | 179.0° | 123.7° |
| C2 | C3 | O3 | H31 | 180.0° | 60.0° |
| C3 | C4 | C5 | H12 | 120.4° | 120.0° |
| C3 | C4 | C5 | H13 | 120.4° | 120.0° |
| C3 | C4 | C5 | C6 | 180.0° | 172.3° |
| C4 | C3 | C2 | C1 | 53.4° | 80.2° |
| C4 | C3 | C2 | H9 | 67.8° | 159.8° |
| C4 | C3 | C2 | H10 | 174.5° | 39.8° |
| C3 | C4 | H12 | H13 | 118.7° | 120.0° |
| C3 | C4 | C5 | H14 | 58.9° | 67.7° |
| C3 | C4 | C5 | H15 | 59.0° | 52.3° |
| C4 | C3 | O3 | H31 | 56.5° | 180.0° |
| C4 | C5 | C6 | H14 | 121.1° | 120.0° |
| C4 | C5 | C6 | H15 | 121.1° | 120.0° |
| C4 | C5 | C6 | C7 | 64.1° | 4.8° |
| C4 | C5 | C6 | O4 | 177.3° | 115.2° |
| C4 | C5 | C6 | C8 | 58.8° | 124.9° |
| C5 | C4 | C3 | H11 | 59.1° | 3.8° |
| C5 | C4 | H12 | H13 | 118.7° | 120.0° |
| C4 | C5 | H14 | H15 | 116.6° | 120.0° |
| C5 | C6 | C7 | O4 | 117.5° | 120.0° |
| C5 | C6 | C7 | C8 | 123.4° | 120.1° |
| C5 | C6 | O4 | C8 | 120.1° | 120.0° |
| C5 | C6 | C8 | C9 | 61.0° | 65.1° |
| C5 | C6 | C8 | O5 | 179.7° | 54.9° |
| C6 | C5 | C4 | H12 | 59.6° | 52.3° |
| C6 | C5 | C4 | H13 | 59.5° | 67.7° |
| C6 | C5 | H14 | H15 | 116.6° | 120.0° |
| C5 | C6 | C7 | H16 | 180.0° | 60.0° |
| C5 | C6 | C7 | H17 | 60.0° | 180.0° |
| C5 | C6 | C7 | H18 | 60.0° | 60.0° |
| C5 | C6 | O4 | H32 | 180.0° | 180.0° |
| C5 | C6 | C8 | H42 | 60.8° | 175.0° |
| C2 | C1 | O1 | O2 | 179.8° | 179.9° |
| C2 | C1 | O1 | C13 | 177.8° | 180.0° |
| C1 | C2 | H9 | H10 | 116.2° | 120.0° |
| C1 | C2 | C3 | H11 | 173.1° | 39.8° |
| C7 | C6 | O4 | C8 | 120.1° | 120.0° |
| C7 | C6 | C8 | C9 | 175.9° | 55.0° |
| C7 | C6 | C8 | O5 | 57.2° | 175.0° |
| C7 | C6 | C5 | H14 | 57.0° | 124.8° |
| C7 | C6 | C5 | H15 | 174.8° | 115.2° |
| C6 | C7 | H16 | H17 | 120.0° | 120.0° |
| C6 | C7 | H16 | H18 | 120.0° | 120.0° |
| C6 | C7 | H17 | H18 | 120.0° | 120.0° |
| C7 | C6 | O4 | H32 | 60.2° | 60.0° |
| C7 | C6 | C8 | H42 | 62.4° | 65.0° |
| O4 | C6 | C8 | C9 | 56.6° | 175.0° |
| O4 | C6 | C8 | O5 | 62.1° | 65.0° |
| O4 | C6 | C5 | H14 | 61.6° | 4.8° |
| O4 | C6 | C5 | H15 | 56.2° | 124.8° |
| O4 | C6 | C7 | H16 | 62.5° | 60.0° |
| O4 | C6 | C7 | H17 | 177.5° | 60.0° |
| O4 | C6 | C7 | H18 | 57.5° | 180.0° |
| O4 | C6 | C8 | H42 | 178.4° | 55.0° |
| C6 | C8 | C9 | O5 | 118.5° | 120.0° |
| C6 | C8 | C9 | H42 | 121.4° | 120.0° |
| C6 | C8 | O5 | H42 | 118.9° | 120.1° |
| C6 | C8 | C9 | C10 | 124.3° | 120.4° |
| C6 | C8 | O5 | C29 | 151.7° | 150.0° |
| C8 | C6 | C5 | H14 | 179.9° | 115.1° |
| C8 | C6 | C5 | H15 | 62.3° | 4.9° |
| C8 | C6 | C7 | H16 | 56.7° | 180.0° |
| C8 | C6 | C7 | H17 | 63.4° | 59.9° |
| C8 | C6 | C7 | H18 | 176.6° | 60.0° |
| C8 | C6 | O4 | H32 | 59.9° | 60.1° |
| C6 | C8 | C9 | H41 | 55.7° | 59.4° |
| C1 | O1 | C13 | C14 | 106.5° | 17.5° |
| C1 | O1 | C13 | C11 | 130.7° | 137.5° |
| C1 | O1 | C13 | H7 | 13.2° | 102.5° |
| O1 | C1 | C2 | H9 | 4.0° | 135.6° |
| O1 | C1 | C2 | H10 | 121.6° | 15.7° |
| O2 | C1 | O1 | C13 | 2.0° | 0.1° |
| O2 | C1 | C2 | H9 | 175.8° | 44.4° |
| O2 | C1 | C2 | H10 | 58.2° | 164.4° |
| O1 | C13 | C14 | C15 | 64.7° | 58.9° |
| O1 | C13 | C14 | C11 | 118.1° | 120.0° |
| O1 | C13 | C14 | H7 | 120.3° | 120.0° |
| O1 | C13 | C11 | H7 | 118.4° | 120.0° |
| O1 | C13 | C14 | C16 | 114.7° | 121.2° |
| O1 | C13 | C11 | C10 | 51.6° | 61.0° |
| O1 | C13 | C11 | C12 | 174.5° | 59.0° |
| O1 | C13 | C11 | H8 | 66.7° | 179.0° |
| C9 | C8 | O5 | H42 | 119.8° | 119.9° |
| C8 | C9 | C10 | H41 | 180.0° | 179.9° |
| C9 | C8 | O5 | C29 | 87.0° | 90.0° |
| C8 | C9 | C10 | C11 | 164.9° | 180.0° |
| C8 | C9 | C10 | H40 | 15.1° | 0.0° |
| O5 | C8 | C9 | C10 | 117.2° | 0.4° |
| C8 | O5 | C29 | C30 | 177.1° | 180.0° |
| C8 | O5 | C29 | O6 | 2.7° | 0.1° |
| O5 | C8 | C9 | H41 | 62.8° | 179.5° |
| C15 | C14 | C13 | C16 | 179.4° | 179.9° |
| C15 | C14 | C13 | C11 | 53.4° | 61.1° |
| C15 | C14 | C16 | C17 | 0.2° | 0.1° |
| C15 | C14 | C16 | H1 | 179.8° | 179.8° |
| C14 | C15 | H2 | H3 | 120.0° | 120.1° |
| C14 | C15 | H2 | H4 | 120.0° | 120.0° |
| C14 | C15 | H3 | H4 | 120.0° | 120.0° |
| C15 | C14 | C13 | H7 | 175.0° | 178.9° |
| C9 | C10 | C11 | C13 | 116.9° | 103.5° |
| C9 | C10 | C11 | H40 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 119.5° | 16.6° |
| C9 | C10 | C11 | H8 | 1.1° | 136.5° |
| C10 | C9 | C8 | H42 | 2.9° | 119.5° |
| O5 | C29 | C30 | O6 | 179.8° | 180.0° |
| C29 | O5 | C8 | H42 | 32.8° | 29.9° |
| O5 | C29 | C30 | H43 | 179.8° | 90.0° |
| O5 | C29 | C30 | H44 | 59.8° | 150.0° |
| O5 | C29 | C30 | H45 | 60.2° | 30.1° |
| C14 | C13 | C11 | H7 | 121.7° | 120.0° |
| C14 | C13 | C11 | C10 | 171.5° | 59.0° |
| C14 | C13 | C11 | C12 | 65.6° | 179.0° |
| C13 | C14 | C16 | C17 | 179.6° | 180.0° |
| C13 | C14 | C16 | H1 | 0.4° | 0.3° |
| C13 | C14 | C15 | H2 | 180.0° | 95.4° |
| C13 | C14 | C15 | H3 | 60.0° | 24.7° |
| C13 | C14 | C15 | H4 | 60.0° | 144.7° |
| C14 | C13 | C11 | H8 | 53.3° | 61.0° |
| C11 | C13 | C14 | C16 | 127.2° | 118.8° |
| C13 | C11 | C10 | C12 | 123.6° | 120.0° |
| C13 | C11 | C10 | H8 | 118.0° | 120.0° |
| C13 | C11 | C12 | H8 | 118.9° | 120.0° |
| C13 | C11 | C10 | H40 | 63.1° | 76.5° |
| C13 | C11 | C12 | H46 | 180.0° | 60.0° |
| C13 | C11 | C12 | H47 | 60.0° | 180.0° |
| C13 | C11 | C12 | H48 | 60.0° | 60.0° |
| C14 | C16 | C17 | H1 | 180.0° | 179.7° |
| C14 | C16 | C17 | C18 | 179.5° | 179.7° |
| C16 | C14 | C15 | H2 | 0.6° | 84.5° |
| C16 | C14 | C15 | H3 | 120.6° | 155.4° |
| C16 | C14 | C15 | H4 | 119.4° | 35.4° |
| C14 | C16 | C17 | H5 | 0.5° | 0.2° |
| C16 | C14 | C13 | H7 | 5.6° | 1.2° |
| C10 | C11 | C12 | H8 | 118.6° | 120.0° |
| C10 | C11 | C13 | H7 | 66.7° | 179.0° |
| C11 | C10 | C9 | H41 | 15.1° | 0.1° |
| C10 | C11 | C12 | H46 | 57.4° | 60.0° |
| C10 | C11 | C12 | H47 | 177.4° | 60.0° |
| C10 | C11 | C12 | H48 | 62.6° | 180.0° |
| C20 | C19 | C18 | C17 | 101.0° | 120.0° |
| C20 | C19 | C18 | C21 | 123.2° | 120.0° |
| C20 | C19 | C18 | H36 | 119.1° | 120.0° |
| C20 | C19 | C21 | H36 | 118.8° | 120.0° |
| C20 | C19 | C21 | C22 | 173.6° | 65.0° |
| C20 | C19 | C18 | H6 | 79.0° | 60.0° |
| C20 | C19 | C21 | H34 | 52.7° | 175.0° |
| C20 | C19 | C21 | H35 | 65.6° | 55.0° |
| C19 | C20 | H37 | H38 | 120.0° | 120.0° |
| C19 | C20 | H37 | H39 | 120.0° | 120.0° |
| C19 | C20 | H38 | H39 | 120.0° | 120.0° |
| C12 | C11 | C13 | H7 | 56.1° | 61.0° |
| C12 | C11 | C10 | H40 | 60.5° | 163.5° |
| C11 | C12 | H46 | H47 | 120.0° | 120.0° |
| C11 | C12 | H46 | H48 | 120.0° | 120.0° |
| C11 | C12 | H47 | H48 | 120.0° | 120.0° |
| C29 | C30 | H43 | H44 | 120.0° | 119.9° |
| C29 | C30 | H43 | H45 | 120.0° | 120.0° |
| C29 | C30 | H44 | H45 | 120.0° | 120.0° |
| O6 | C29 | C30 | H43 | 0.0° | 90.0° |
| O6 | C29 | C30 | H44 | 120.0° | 30.0° |
| O6 | C29 | C30 | H45 | 120.0° | 150.0° |
| C16 | C17 | C18 | H5 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 179.4° | 180.0° |
| C16 | C17 | C18 | H6 | 0.6° | 0.1° |
| C17 | C18 | C19 | H6 | 180.0° | 179.9° |
| C17 | C18 | C19 | C21 | 135.8° | 120.0° |
| C18 | C17 | C16 | H1 | 0.5° | 0.1° |
| C17 | C18 | C19 | H36 | 18.1° | 0.0° |
| C18 | C19 | C21 | H36 | 118.0° | 120.0° |
| C18 | C19 | C21 | C22 | 63.2° | 175.0° |
| C19 | C18 | C17 | H5 | 0.6° | 0.1° |
| C18 | C19 | C21 | H34 | 175.9° | 55.0° |
| C18 | C19 | C21 | H35 | 57.6° | 65.0° |
| C18 | C19 | C20 | H37 | 180.0° | 60.0° |
| C18 | C19 | C20 | H38 | 60.0° | 60.0° |
| C18 | C19 | C20 | H39 | 60.0° | 180.0° |
| C19 | C21 | C22 | H34 | 120.9° | 120.0° |
| C19 | C21 | C22 | H35 | 120.9° | 120.0° |
| C19 | C21 | C22 | C23 | 106.2° | 175.0° |
| C19 | C21 | C22 | O7 | 175.8° | 119.0° |
| C21 | C19 | C18 | H6 | 44.2° | 60.0° |
| C19 | C21 | C22 | H20 | 45.2° | 28.0° |
| C19 | C21 | H34 | H35 | 117.4° | 120.1° |
| C21 | C19 | C20 | H37 | 58.2° | 180.0° |
| C21 | C19 | C20 | H38 | 178.2° | 60.0° |
| C21 | C19 | C20 | H39 | 61.8° | 60.0° |
| C21 | C22 | C23 | O7 | 102.8° | 106.8° |
| C21 | C22 | C23 | H20 | 151.1° | 146.4° |
| C21 | C22 | O7 | H20 | 138.5° | 146.3° |
| C21 | C22 | C23 | C24 | 152.0° | 146.3° |
| C21 | C22 | C23 | H33 | 4.6° | 0.0° |
| C22 | C21 | H34 | H35 | 117.3° | 119.9° |
| C22 | C21 | C19 | H36 | 54.7° | 55.0° |
| C23 | C22 | O7 | H20 | 105.7° | 106.9° |
| C22 | C23 | C24 | C25 | 61.2° | 60.0° |
| C22 | C23 | O7 | C24 | 110.1° | 106.8° |
| C22 | C23 | O7 | H33 | 106.9° | 106.8° |
| C22 | C23 | C24 | H33 | 147.8° | 146.9° |
| C22 | C23 | C24 | C26 | 173.1° | 180.0° |
| C22 | C23 | C24 | H25 | 56.0° | 60.1° |
| C23 | C22 | C21 | H34 | 132.9° | 55.0° |
| C23 | C22 | C21 | H35 | 14.6° | 64.9° |
| O7 | C22 | C21 | H34 | 63.3° | 121.0° |
| O7 | C22 | C21 | H35 | 54.9° | 1.0° |
| C25 | C24 | C23 | O7 | 129.8° | 126.0° |
| C25 | C24 | C23 | C26 | 125.6° | 120.0° |
| C25 | C24 | C23 | H25 | 117.3° | 120.0° |
| C25 | C24 | C26 | H25 | 117.3° | 120.0° |
| C25 | C24 | C26 | O8 | 52.2° | 55.0° |
| C25 | C24 | C26 | C27 | 67.7° | 65.0° |
| C25 | C24 | C26 | H21 | 172.8° | 175.0° |
| C24 | C25 | H22 | H23 | 120.0° | 120.0° |
| C24 | C25 | H22 | H24 | 120.0° | 120.1° |
| C24 | C25 | H23 | H24 | 120.0° | 120.1° |
| C25 | C24 | C23 | H33 | 86.6° | 87.0° |
| O7 | C23 | C24 | H33 | 143.6° | 147.0° |
| O7 | C23 | C24 | C26 | 104.6° | 114.0° |
| O7 | C23 | C24 | H25 | 12.5° | 6.0° |
| C23 | C24 | C26 | H25 | 117.1° | 119.9° |
| C23 | C24 | C26 | O8 | 73.3° | 65.1° |
| C23 | C24 | C26 | C27 | 166.7° | 175.0° |
| C24 | C23 | C22 | H20 | 0.9° | 0.1° |
| C23 | C24 | C26 | H21 | 47.3° | 55.0° |
| C23 | C24 | C25 | H22 | 180.0° | 180.0° |
| C23 | C24 | C25 | H23 | 60.0° | 60.1° |
| C23 | C24 | C25 | H24 | 60.0° | 60.0° |
| C24 | C26 | O8 | C27 | 120.3° | 119.9° |
| C24 | C26 | O8 | H21 | 119.7° | 120.0° |
| C24 | C26 | C27 | H21 | 119.3° | 120.0° |
| C24 | C26 | C27 | C28 | 59.4° | 175.0° |
| C24 | C26 | O8 | H19 | 180.0° | 59.9° |
| C26 | C24 | C25 | H22 | 54.5° | 60.0° |
| C26 | C24 | C25 | H23 | 65.5° | 59.9° |
| C26 | C24 | C25 | H24 | 174.5° | 180.0° |
| C24 | C26 | C27 | H29 | 180.0° | 65.1° |
| C24 | C26 | C27 | H30 | 61.3° | 55.0° |
| C26 | C24 | C23 | H33 | 39.1° | 33.0° |
| O8 | C26 | C27 | H21 | 120.7° | 120.1° |
| O8 | C26 | C27 | C28 | 179.3° | 65.0° |
| O8 | C26 | C24 | H25 | 169.5° | 175.0° |
| O8 | C26 | C27 | H29 | 60.0° | 54.9° |
| O8 | C26 | C27 | H30 | 58.7° | 175.0° |
| C26 | C27 | C28 | H29 | 120.6° | 120.0° |
| C26 | C27 | C28 | H30 | 120.6° | 120.0° |
| C27 | C26 | O8 | H19 | 59.7° | 60.0° |
| C27 | C26 | C24 | H25 | 49.6° | 55.0° |
| C26 | C27 | C28 | H26 | 180.0° | 59.9° |
| C26 | C27 | C28 | H27 | 60.0° | 180.0° |
| C26 | C27 | C28 | H28 | 60.0° | 60.0° |
| C26 | C27 | H29 | H30 | 118.1° | 120.1° |
| C28 | C27 | C26 | H21 | 59.9° | 55.1° |
| C27 | C28 | H26 | H27 | 120.0° | 120.1° |
| C27 | C28 | H26 | H28 | 120.0° | 119.9° |
| C27 | C28 | H27 | H28 | 120.0° | 120.0° |
| C28 | C27 | H29 | H30 | 118.1° | 119.9° |
| H1 | C16 | C17 | H5 | 179.5° | 180.0° |
| H2 | C15 | H3 | H4 | 120.0° | 119.9° |
| H5 | C17 | C18 | H6 | 179.4° | 180.0° |
| H6 | C18 | C19 | H36 | 161.9° | 180.0° |
| H7 | C13 | C11 | H8 | 175.0° | 59.0° |
| H8 | C11 | C10 | H40 | 178.9° | 43.5° |
| H8 | C11 | C12 | H46 | 61.1° | 180.0° |
| H8 | C11 | C12 | H47 | 58.9° | 60.0° |
| H8 | C11 | C12 | H48 | 178.9° | 60.0° |
| H9 | C2 | C3 | H11 | 51.9° | 80.1° |
| H10 | C2 | C3 | H11 | 65.8° | 159.9° |
| H11 | C3 | C4 | H12 | 179.5° | 123.7° |
| H11 | C3 | C4 | H13 | 61.3° | 116.2° |
| H11 | C3 | O3 | H31 | 61.8° | 60.0° |
| H12 | C4 | C5 | H14 | 179.3° | 172.4° |
| H12 | C4 | C5 | H15 | 61.5° | 67.7° |
| H13 | C4 | C5 | H14 | 61.5° | 52.3° |
| H13 | C4 | C5 | H15 | 179.4° | 172.3° |
| H16 | C7 | H17 | H18 | 120.0° | 120.0° |
| H19 | O8 | C26 | H21 | 60.3° | 179.9° |
| H20 | C22 | C23 | H33 | 146.5° | 146.3° |
| H20 | C22 | C21 | H34 | 75.7° | 92.0° |
| H20 | C22 | C21 | H35 | 166.0° | 148.0° |
| H21 | C26 | C24 | H25 | 69.8° | 64.9° |
| H21 | C26 | C27 | H29 | 60.7° | 175.0° |
| H21 | C26 | C27 | H30 | 179.4° | 64.9° |
| H22 | C25 | H23 | H24 | 120.0° | 120.0° |
| H22 | C25 | C24 | H25 | 62.7° | 60.0° |
| H23 | C25 | C24 | H25 | 177.2° | 180.0° |
| H24 | C25 | C24 | H25 | 57.2° | 60.0° |
| H25 | C24 | C23 | H33 | 156.2° | 153.0° |
| H26 | C28 | H27 | H28 | 120.0° | 120.0° |
| H26 | C28 | C27 | H29 | 59.4° | 60.1° |
| H26 | C28 | C27 | H30 | 59.4° | 180.0° |
| H27 | C28 | C27 | H29 | 179.4° | 60.0° |
| H27 | C28 | C27 | H30 | 60.6° | 60.0° |
| H28 | C28 | C27 | H29 | 60.6° | 180.0° |
| H28 | C28 | C27 | H30 | 179.4° | 60.0° |
| H34 | C21 | C19 | H36 | 66.1° | 65.0° |
| H35 | C21 | C19 | H36 | 175.6° | 175.0° |
| H36 | C19 | C20 | H37 | 60.6° | 60.1° |
| H36 | C19 | C20 | H38 | 59.4° | 180.0° |
| H36 | C19 | C20 | H39 | 179.4° | 60.0° |
| H37 | C20 | H38 | H39 | 120.0° | 120.0° |
| H40 | C10 | C9 | H41 | 164.9° | 179.9° |
| H41 | C9 | C8 | H42 | 177.1° | 60.6° |
| H43 | C30 | H44 | H45 | 120.0° | 120.1° |
| H46 | C12 | H47 | H48 | 120.0° | 120.0° |
