OKU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O44 | C23 | doub | 1.21Å | 1.23Å | |
| N39 | C23 | sing | 1.35Å | 1.35Å | |
| N39 | C18 | sing | 1.39Å | 1.38Å | |
| C23 | C32 | sing | 1.51Å | 1.55Å | |
| N36 | C18 | doub | 1.33Å | 1.35Å | Aromatic |
| N36 | C8 | sing | 1.31Å | 1.36Å | Aromatic |
| C18 | C14 | sing | 1.40Å | 1.37Å | Aromatic |
| C32 | C25 | sing | 1.52Å | 1.55Å | |
| C32 | C14 | sing | 1.50Å | 1.51Å | |
| C32 | C24 | sing | 1.53Å | 1.53Å | |
| C8 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | C13 | sing | 1.51Å | 1.52Å | |
| C14 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C12 | sing | 1.51Å | 1.51Å | |
| C11 | C5 | sing | 1.41Å | 1.40Å | Aromatic |
| C11 | C19 | sing | 1.48Å | 1.48Å | |
| C13 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
| C19 | C20 | doub | 1.32Å | 1.35Å | |
| C4 | C10 | doub | 1.40Å | 1.41Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C26 | sing | 1.51Å | 1.52Å | |
| C10 | C1 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | C21 | sing | 1.46Å | 1.50Å | |
| N40 | C21 | sing | 1.35Å | 1.34Å | |
| N40 | C31 | sing | 1.48Å | 1.46Å | |
| O43 | C22 | doub | 1.21Å | 1.23Å | |
| C26 | O45 | sing | 1.43Å | 1.43Å | |
| C35 | C31 | sing | 1.53Å | 1.54Å | |
| C35 | C15 | sing | 1.51Å | 1.52Å | |
| C21 | O42 | doub | 1.22Å | 1.24Å | |
| C31 | C22 | sing | 1.51Å | 1.55Å | |
| O45 | C29 | sing | 1.43Å | 1.43Å | |
| C22 | N41 | sing | 1.36Å | 1.36Å | |
| C15 | C3 | doub | 1.36Å | 1.39Å | Aromatic |
| C15 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C29 | C30 | sing | 1.53Å | 1.54Å | |
| C30 | O46 | sing | 1.43Å | 1.42Å | |
| C3 | C9 | sing | 1.41Å | 1.40Å | Aromatic |
| O46 | C28 | sing | 1.43Å | 1.42Å | |
| N41 | C27 | sing | 1.49Å | 1.47Å | |
| N41 | C34 | sing | 1.47Å | 1.47Å | |
| C6 | C16 | doub | 1.36Å | 1.40Å | Aromatic |
| C27 | C28 | sing | 1.53Å | 1.54Å | |
| C9 | C7 | doub | 1.38Å | 1.42Å | Aromatic |
| C9 | C17 | sing | 1.47Å | 1.41Å | Aromatic |
| C16 | C17 | sing | 1.41Å | 1.40Å | Aromatic |
| C16 | C33 | sing | 1.51Å | 1.52Å | |
| C7 | N37 | sing | 1.34Å | 1.31Å | Aromatic |
| C17 | N38 | doub | 1.32Å | 1.38Å | Aromatic |
| N37 | N38 | sing | 1.40Å | 1.34Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C20 | H6 | sing | 1.08Å | 1.08Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C26 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| C28 | H11 | sing | 1.09Å | 1.10Å | |
| C28 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| C2 | H15 | sing | 1.08Å | 1.08Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C27 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H22 | sing | 1.08Å | 1.08Å | |
| C30 | H23 | sing | 1.09Å | 1.10Å | |
| C30 | H24 | sing | 1.09Å | 1.10Å | |
| C31 | H25 | sing | 1.09Å | 1.10Å | |
| C33 | H26 | sing | 1.09Å | 1.10Å | |
| C33 | H27 | sing | 1.09Å | 1.10Å | |
| C33 | H28 | sing | 1.09Å | 1.10Å | |
| C34 | H29 | sing | 1.09Å | 1.10Å | |
| C34 | H30 | sing | 1.09Å | 1.10Å | |
| C34 | H31 | sing | 1.09Å | 1.10Å | |
| C35 | H32 | sing | 1.09Å | 1.10Å | |
| C35 | H33 | sing | 1.09Å | 1.10Å | |
| N37 | H34 | sing | 0.97Å | 1.00Å | |
| N39 | H35 | sing | 0.97Å | 1.00Å | |
| N40 | H36 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O44 | C23 | N39 | 126.7° | 126.5° |
| O44 | C23 | C32 | 126.5° | 126.5° |
| C23 | N39 | C18 | 113.2° | 112.4° |
| N39 | C23 | C32 | 106.8° | 107.0° |
| C23 | N39 | H35 | 123.4° | 123.9° |
| N39 | C18 | N36 | 126.1° | 130.5° |
| N39 | C18 | C14 | 109.4° | 110.0° |
| C18 | N39 | H35 | 123.4° | 123.7° |
| C23 | C32 | C25 | 111.8° | 111.6° |
| C23 | C32 | C14 | 101.7° | 104.5° |
| C23 | C32 | C24 | 114.1° | 111.3° |
| C18 | N36 | C8 | 116.6° | 123.0° |
| N36 | C18 | C14 | 124.5° | 119.5° |
| N36 | C8 | C11 | 123.4° | 120.8° |
| N36 | C8 | H5 | 118.3° | 119.6° |
| C18 | C14 | C32 | 109.0° | 106.2° |
| C18 | C14 | C5 | 118.2° | 119.5° |
| C25 | C32 | C14 | 115.7° | 112.4° |
| C25 | C32 | C24 | 100.4° | 105.0° |
| C32 | C25 | C13 | 100.5° | 107.5° |
| C32 | C25 | H16 | 111.7° | 109.9° |
| C32 | C25 | H17 | 111.7° | 109.8° |
| C14 | C32 | C24 | 113.8° | 112.3° |
| C32 | C14 | C5 | 132.8° | 134.3° |
| C32 | C24 | C12 | 100.2° | 107.1° |
| C32 | C24 | H7 | 111.7° | 110.0° |
| C32 | C24 | H8 | 111.7° | 109.9° |
| C8 | C11 | C5 | 117.6° | 118.1° |
| C8 | C11 | C19 | 122.0° | 122.2° |
| C11 | C8 | H5 | 118.3° | 119.6° |
| C25 | C13 | C12 | 107.5° | 110.0° |
| C25 | C13 | C4 | 132.6° | 129.8° |
| C13 | C25 | H16 | 111.7° | 109.9° |
| C13 | C25 | H17 | 111.6° | 109.9° |
| C14 | C5 | C11 | 119.8° | 119.0° |
| C14 | C5 | H2 | 120.1° | 120.5° |
| C24 | C12 | C13 | 110.1° | 110.4° |
| C24 | C12 | C2 | 129.0° | 130.4° |
| C12 | C24 | H7 | 111.8° | 110.0° |
| C12 | C24 | H8 | 111.8° | 110.0° |
| C5 | C11 | C19 | 120.4° | 119.6° |
| C11 | C5 | H2 | 120.1° | 120.4° |
| C11 | C19 | C20 | 122.5° | 121.3° |
| C11 | C19 | H14 | 118.8° | 119.1° |
| C12 | C13 | C4 | 119.9° | 120.2° |
| C13 | C12 | C2 | 120.9° | 119.2° |
| C13 | C4 | C10 | 119.0° | 120.5° |
| C13 | C4 | H1 | 120.5° | 119.8° |
| C12 | C2 | C1 | 119.7° | 121.5° |
| C12 | C2 | H15 | 120.2° | 119.3° |
| C19 | C20 | C26 | 127.8° | 120.2° |
| C19 | C20 | H6 | 116.1° | 119.3° |
| C20 | C19 | H14 | 118.8° | 119.5° |
| C4 | C10 | C1 | 119.7° | 118.7° |
| C4 | C10 | C21 | 123.8° | 119.7° |
| C10 | C4 | H1 | 120.5° | 119.7° |
| C2 | C1 | C10 | 120.7° | 119.3° |
| C2 | C1 | H13 | 119.7° | 120.3° |
| C1 | C2 | H15 | 120.2° | 119.2° |
| C20 | C26 | O45 | 111.5° | 109.0° |
| C26 | C20 | H6 | 116.1° | 120.4° |
| C20 | C26 | H9 | 109.0° | 109.6° |
| C20 | C26 | H10 | 109.0° | 109.5° |
| C1 | C10 | C21 | 116.5° | 121.1° |
| C10 | C1 | H13 | 119.6° | 120.4° |
| C10 | C21 | N40 | 116.9° | 122.6° |
| C10 | C21 | O42 | 120.2° | 118.7° |
| C21 | N40 | C31 | 120.9° | 117.3° |
| N40 | C21 | O42 | 122.9° | 118.7° |
| C21 | N40 | H36 | 119.6° | 121.4° |
| N40 | C31 | C35 | 112.4° | 109.7° |
| N40 | C31 | C22 | 109.4° | 108.1° |
| N40 | C31 | H25 | 107.7° | 109.8° |
| C31 | N40 | H36 | 119.6° | 121.3° |
| O43 | C22 | C31 | 117.3° | 119.9° |
| O43 | C22 | N41 | 123.1° | 119.9° |
| C26 | O45 | C29 | 116.5° | 114.6° |
| O45 | C26 | H9 | 109.0° | 109.5° |
| O45 | C26 | H10 | 109.0° | 109.5° |
| C31 | C35 | C15 | 108.5° | 109.5° |
| C35 | C31 | C22 | 113.7° | 109.7° |
| C35 | C31 | H25 | 106.7° | 109.7° |
| C31 | C35 | H32 | 109.7° | 109.5° |
| C31 | C35 | H33 | 109.7° | 109.5° |
| C35 | C15 | C3 | 119.3° | 119.1° |
| C35 | C15 | C6 | 119.6° | 119.2° |
| C15 | C35 | H32 | 109.7° | 109.5° |
| C15 | C35 | H33 | 109.7° | 109.5° |
| C31 | C22 | N41 | 119.6° | 120.2° |
| C22 | C31 | H25 | 106.5° | 109.8° |
| O45 | C29 | C30 | 111.2° | 109.7° |
| O45 | C29 | H20 | 109.0° | 109.8° |
| O45 | C29 | H21 | 109.1° | 109.0° |
| C22 | N41 | C27 | 121.5° | 114.8° |
| C22 | N41 | C34 | 123.9° | 122.6° |
| C3 | C15 | C6 | 121.1° | 121.7° |
| C15 | C3 | C9 | 118.2° | 119.6° |
| C15 | C3 | H22 | 120.9° | 120.2° |
| C15 | C6 | C16 | 122.4° | 121.8° |
| C15 | C6 | H3 | 118.8° | 119.1° |
| C29 | C30 | O46 | 109.5° | 111.1° |
| C30 | C29 | H20 | 109.1° | 109.4° |
| C30 | C29 | H21 | 109.0° | 109.4° |
| C29 | C30 | H23 | 109.5° | 109.4° |
| C29 | C30 | H24 | 109.5° | 109.4° |
| C30 | O46 | C28 | 114.0° | 115.3° |
| O46 | C30 | H23 | 109.5° | 108.7° |
| O46 | C30 | H24 | 109.5° | 108.7° |
| C3 | C9 | C7 | 136.3° | 134.8° |
| C3 | C9 | C17 | 119.6° | 118.7° |
| C9 | C3 | H22 | 120.9° | 120.2° |
| O46 | C28 | C27 | 110.1° | 109.1° |
| O46 | C28 | H11 | 109.3° | 109.5° |
| O46 | C28 | H12 | 109.3° | 109.6° |
| C27 | N41 | C34 | 114.6° | 122.5° |
| N41 | C27 | C28 | 113.7° | 108.9° |
| N41 | C27 | H18 | 108.4° | 109.5° |
| N41 | C27 | H19 | 108.4° | 109.6° |
| N41 | C34 | H29 | 109.5° | 109.4° |
| N41 | C34 | H30 | 109.5° | 109.5° |
| N41 | C34 | H31 | 109.4° | 109.4° |
| C6 | C16 | C17 | 115.7° | 119.6° |
| C6 | C16 | C33 | 119.6° | 120.2° |
| C16 | C6 | H3 | 118.8° | 119.1° |
| C27 | C28 | H11 | 109.3° | 109.5° |
| C27 | C28 | H12 | 109.3° | 109.5° |
| C28 | C27 | H18 | 108.4° | 109.6° |
| C28 | C27 | H19 | 108.4° | 109.6° |
| C7 | C9 | C17 | 104.1° | 106.4° |
| C9 | C7 | N37 | 112.2° | 107.9° |
| C9 | C7 | H4 | 123.9° | 126.0° |
| C9 | C17 | C16 | 123.1° | 118.6° |
| C9 | C17 | N38 | 105.0° | 106.7° |
| C17 | C16 | C33 | 124.7° | 120.2° |
| C16 | C17 | N38 | 131.8° | 134.7° |
| C16 | C33 | H26 | 109.5° | 109.5° |
| C16 | C33 | H27 | 109.5° | 109.5° |
| C16 | C33 | H28 | 109.5° | 109.5° |
| C7 | N37 | N38 | 106.0° | 110.0° |
| N37 | C7 | H4 | 123.9° | 126.0° |
| C7 | N37 | H34 | 127.0° | 125.0° |
| C17 | N38 | N37 | 112.7° | 109.0° |
| N38 | N37 | H34 | 127.0° | 125.0° |
| H7 | C24 | H8 | 109.5° | 109.9° |
| H9 | C26 | H10 | 109.5° | 109.6° |
| H11 | C28 | H12 | 109.5° | 109.6° |
| H16 | C25 | H17 | 109.5° | 109.9° |
| H18 | C27 | H19 | 109.5° | 109.7° |
| H20 | C29 | H21 | 109.5° | 109.4° |
| H23 | C30 | H24 | 109.4° | 109.4° |
| H26 | C33 | H27 | 109.5° | 109.5° |
| H26 | C33 | H28 | 109.5° | 109.5° |
| H27 | C33 | H28 | 109.5° | 109.4° |
| H29 | C34 | H30 | 109.4° | 109.5° |
| H29 | C34 | H31 | 109.5° | 109.5° |
| H30 | C34 | H31 | 109.5° | 109.5° |
| H32 | C35 | H33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O44 | C23 | N39 | C32 | 178.6° | 180.0° |
| O44 | C23 | N39 | C18 | 179.5° | 179.7° |
| O44 | C23 | C32 | C25 | 55.6° | 57.3° |
| O44 | C23 | C32 | C14 | 179.6° | 179.0° |
| O44 | C23 | C32 | C24 | 57.4° | 59.6° |
| O44 | C23 | N39 | H35 | 0.5° | 0.3° |
| C23 | N39 | C18 | H35 | 180.0° | 180.0° |
| C23 | N39 | C18 | N36 | 179.9° | 179.5° |
| C23 | N39 | C18 | C14 | 0.4° | 0.7° |
| N39 | C23 | C32 | C25 | 123.0° | 122.7° |
| N39 | C23 | C32 | C14 | 1.0° | 1.0° |
| N39 | C23 | C32 | C24 | 124.0° | 120.3° |
| C18 | N39 | C23 | C32 | 0.9° | 0.3° |
| N39 | C18 | N36 | C14 | 179.7° | 179.8° |
| N39 | C18 | N36 | C8 | 179.9° | 179.8° |
| N39 | C18 | C14 | C32 | 0.4° | 1.3° |
| N39 | C18 | C14 | C5 | 179.8° | 179.1° |
| C23 | C32 | C14 | C18 | 0.8° | 1.4° |
| C23 | C32 | C25 | C14 | 115.8° | 117.0° |
| C23 | C32 | C25 | C24 | 121.3° | 120.7° |
| C23 | C32 | C14 | C24 | 123.1° | 120.7° |
| C23 | C32 | C25 | C13 | 164.5° | 118.0° |
| C23 | C32 | C14 | C5 | 179.4° | 179.1° |
| C23 | C32 | C24 | C12 | 162.6° | 117.7° |
| C23 | C32 | C24 | H7 | 44.1° | 122.8° |
| C23 | C32 | C24 | H8 | 78.9° | 1.7° |
| C23 | C32 | C25 | H16 | 77.0° | 1.6° |
| C23 | C32 | C25 | H17 | 46.0° | 122.5° |
| C32 | C23 | N39 | H35 | 179.1° | 179.7° |
| N36 | C18 | C14 | C32 | 179.4° | 178.8° |
| C18 | N36 | C8 | C11 | 0.2° | 1.0° |
| N36 | C18 | C14 | C5 | 0.5° | 0.8° |
| C18 | N36 | C8 | H5 | 179.9° | 179.0° |
| N36 | C18 | N39 | H35 | 0.1° | 0.5° |
| C8 | N36 | C18 | C14 | 0.4° | 0.4° |
| N36 | C8 | C11 | H5 | 180.0° | 180.0° |
| N36 | C8 | C11 | C5 | 0.0° | 0.3° |
| N36 | C8 | C11 | C19 | 179.9° | 178.5° |
| C18 | C14 | C32 | C25 | 120.5° | 122.5° |
| C18 | C14 | C32 | C5 | 179.8° | 179.5° |
| C18 | C14 | C32 | C24 | 124.0° | 119.3° |
| C18 | C14 | C5 | C11 | 0.3° | 1.4° |
| C18 | C14 | C5 | H2 | 179.7° | 178.6° |
| C14 | C18 | N39 | H35 | 179.6° | 179.3° |
| C25 | C32 | C14 | C24 | 115.5° | 118.2° |
| C32 | C25 | C13 | H16 | 118.5° | 119.5° |
| C32 | C25 | C13 | H17 | 118.5° | 119.4° |
| C25 | C32 | C14 | C5 | 59.3° | 58.0° |
| C25 | C32 | C24 | C12 | 42.9° | 3.2° |
| C32 | C25 | C13 | C12 | 27.1° | 1.2° |
| C32 | C25 | C13 | C4 | 152.3° | 179.2° |
| C25 | C32 | C24 | H7 | 75.5° | 116.3° |
| C25 | C32 | C24 | H8 | 161.4° | 122.5° |
| C32 | C25 | H16 | H17 | 124.2° | 120.9° |
| C14 | C32 | C25 | C13 | 79.8° | 125.1° |
| C14 | C32 | C24 | C12 | 81.3° | 125.6° |
| C32 | C14 | C5 | C11 | 179.5° | 178.1° |
| C32 | C14 | C5 | H2 | 0.5° | 1.9° |
| C14 | C32 | C24 | H7 | 160.2° | 6.1° |
| C14 | C32 | C24 | H8 | 37.2° | 115.0° |
| C14 | C32 | C25 | H16 | 38.8° | 115.4° |
| C14 | C32 | C25 | H17 | 161.7° | 5.6° |
| C24 | C32 | C25 | C13 | 43.2° | 2.7° |
| C24 | C32 | C14 | C5 | 56.2° | 60.2° |
| C32 | C24 | C12 | H7 | 118.4° | 119.5° |
| C32 | C24 | C12 | H8 | 118.5° | 119.3° |
| C32 | C24 | C12 | C13 | 27.9° | 2.6° |
| C32 | C24 | C12 | C2 | 151.7° | 178.6° |
| C32 | C24 | H7 | H8 | 124.3° | 121.1° |
| C24 | C32 | C25 | H16 | 161.7° | 122.3° |
| C24 | C32 | C25 | H17 | 75.4° | 116.8° |
| C8 | C11 | C5 | C14 | 0.1° | 0.8° |
| C8 | C11 | C5 | C19 | 179.9° | 178.2° |
| C8 | C11 | C19 | C20 | 177.3° | 140.9° |
| C8 | C11 | C5 | H2 | 179.9° | 179.2° |
| C8 | C11 | C19 | H14 | 2.8° | 40.9° |
| C25 | C13 | C12 | C24 | 0.2° | 0.9° |
| C25 | C13 | C12 | C4 | 179.6° | 178.3° |
| C25 | C13 | C12 | C2 | 179.4° | 179.9° |
| C25 | C13 | C4 | C10 | 179.7° | 173.0° |
| C25 | C13 | C4 | H1 | 0.3° | 7.2° |
| C13 | C25 | H16 | H17 | 124.1° | 121.1° |
| C14 | C5 | C11 | H2 | 180.0° | 180.0° |
| C14 | C5 | C11 | C19 | 180.0° | 177.4° |
| C24 | C12 | C13 | C2 | 179.6° | 178.9° |
| C24 | C12 | C13 | C4 | 179.8° | 177.3° |
| C24 | C12 | C2 | C1 | 180.0° | 174.9° |
| C12 | C24 | H7 | H8 | 124.4° | 121.2° |
| C24 | C12 | C2 | H15 | 0.0° | 5.9° |
| C5 | C11 | C19 | C20 | 2.7° | 40.9° |
| C5 | C11 | C8 | H5 | 180.0° | 179.7° |
| C5 | C11 | C19 | H14 | 177.3° | 137.3° |
| C11 | C19 | C20 | H14 | 180.0° | 178.1° |
| C11 | C19 | C20 | C26 | 179.7° | 178.3° |
| C19 | C11 | C5 | H2 | 0.0° | 2.6° |
| C19 | C11 | C8 | H5 | 0.1° | 1.5° |
| C11 | C19 | C20 | H6 | 0.3° | 3.9° |
| C12 | C13 | C4 | C10 | 0.3° | 4.9° |
| C13 | C12 | C2 | C1 | 0.5° | 3.8° |
| C12 | C13 | C4 | H1 | 179.7° | 174.9° |
| C13 | C12 | C24 | H7 | 90.6° | 116.8° |
| C13 | C12 | C24 | H8 | 146.4° | 121.9° |
| C13 | C12 | C2 | H15 | 179.5° | 175.4° |
| C12 | C13 | C25 | H16 | 145.7° | 120.7° |
| C12 | C13 | C25 | H17 | 91.4° | 118.3° |
| C4 | C13 | C12 | C2 | 0.2° | 1.6° |
| C13 | C4 | C10 | H1 | 180.0° | 179.8° |
| C13 | C4 | C10 | C1 | 0.4° | 9.2° |
| C13 | C4 | C10 | C21 | 179.6° | 163.1° |
| C4 | C13 | C25 | H16 | 33.8° | 61.3° |
| C4 | C13 | C25 | H17 | 89.1° | 59.8° |
| C12 | C2 | C1 | H15 | 180.0° | 179.1° |
| C12 | C2 | C1 | C10 | 0.3° | 0.6° |
| C2 | C12 | C24 | H7 | 89.9° | 62.0° |
| C2 | C12 | C24 | H8 | 33.2° | 59.3° |
| C12 | C2 | C1 | H13 | 179.7° | 179.3° |
| C19 | C20 | C26 | H6 | 180.0° | 177.8° |
| C19 | C20 | C26 | O45 | 144.8° | 172.2° |
| C19 | C20 | C26 | H9 | 94.9° | 52.4° |
| C19 | C20 | C26 | H10 | 24.4° | 67.9° |
| C4 | C10 | C1 | C2 | 0.1° | 7.0° |
| C4 | C10 | C1 | C21 | 179.3° | 172.3° |
| C4 | C10 | C21 | N40 | 21.8° | 136.4° |
| C4 | C10 | C21 | O42 | 157.7° | 43.7° |
| C4 | C10 | C1 | H13 | 179.9° | 172.9° |
| C2 | C1 | C10 | H13 | 180.0° | 179.9° |
| C2 | C1 | C10 | C21 | 179.4° | 165.2° |
| C20 | C26 | O45 | H9 | 120.3° | 119.9° |
| C20 | C26 | O45 | H10 | 120.3° | 119.8° |
| C20 | C26 | O45 | C29 | 145.7° | 94.8° |
| C20 | C26 | H9 | H10 | 119.1° | 120.2° |
| C26 | C20 | C19 | H14 | 0.3° | 0.2° |
| C1 | C10 | C21 | N40 | 158.9° | 35.8° |
| C1 | C10 | C21 | O42 | 21.5° | 144.1° |
| C1 | C10 | C4 | H1 | 179.6° | 170.5° |
| C10 | C1 | C2 | H15 | 179.7° | 179.8° |
| C10 | C21 | N40 | O42 | 179.6° | 179.9° |
| C10 | C21 | N40 | C31 | 179.3° | 127.3° |
| C21 | C10 | C4 | H1 | 0.4° | 17.1° |
| C21 | C10 | C1 | H13 | 0.6° | 14.8° |
| C10 | C21 | N40 | H36 | 0.7° | 52.7° |
| C21 | N40 | C31 | H36 | 180.0° | 180.0° |
| C21 | N40 | C31 | C35 | 155.8° | 9.8° |
| C21 | N40 | C31 | C22 | 76.9° | 109.8° |
| C21 | N40 | C31 | H25 | 38.6° | 130.5° |
| N40 | C31 | C22 | O43 | 60.0° | 16.1° |
| N40 | C31 | C35 | C22 | 125.0° | 118.6° |
| N40 | C31 | C35 | H25 | 117.9° | 120.7° |
| N40 | C31 | C35 | C15 | 153.4° | 61.9° |
| C31 | N40 | C21 | O42 | 0.3° | 52.8° |
| N40 | C31 | C22 | H25 | 116.2° | 119.7° |
| N40 | C31 | C22 | N41 | 119.2° | 164.0° |
| N40 | C31 | C35 | H32 | 86.8° | 178.1° |
| N40 | C31 | C35 | H33 | 33.6° | 58.1° |
| O43 | C22 | C31 | C35 | 66.5° | 135.7° |
| O43 | C22 | C31 | N41 | 179.3° | 180.0° |
| O43 | C22 | N41 | C27 | 0.6° | 4.0° |
| O43 | C22 | N41 | C34 | 179.7° | 176.0° |
| O43 | C22 | C31 | H25 | 176.2° | 103.6° |
| C26 | O45 | C29 | C30 | 151.3° | 177.1° |
| O45 | C26 | C20 | H6 | 35.2° | 10.0° |
| O45 | C26 | H9 | H10 | 119.1° | 120.2° |
| C26 | O45 | C29 | H20 | 88.4° | 62.6° |
| C26 | O45 | C29 | H21 | 31.1° | 57.3° |
| C31 | C35 | C15 | H32 | 119.9° | 120.0° |
| C31 | C35 | C15 | H33 | 119.9° | 120.0° |
| C35 | C31 | C22 | H25 | 117.2° | 120.7° |
| C35 | C31 | C22 | N41 | 114.2° | 44.3° |
| C31 | C35 | C15 | C3 | 104.0° | 137.0° |
| C31 | C35 | C15 | C6 | 75.5° | 43.0° |
| C31 | C35 | H32 | H33 | 120.5° | 120.0° |
| C35 | C31 | N40 | H36 | 24.2° | 170.1° |
| C15 | C35 | C31 | C22 | 81.6° | 56.7° |
| C35 | C15 | C3 | C6 | 179.4° | 180.0° |
| C35 | C15 | C3 | C9 | 179.8° | 180.0° |
| C35 | C15 | C6 | C16 | 179.8° | 180.0° |
| C35 | C15 | C6 | H3 | 0.2° | 0.4° |
| C35 | C15 | C3 | H22 | 0.2° | 0.0° |
| C15 | C35 | C31 | H25 | 35.5° | 177.4° |
| C15 | C35 | H32 | H33 | 120.4° | 120.0° |
| O42 | C21 | N40 | H36 | 179.8° | 127.2° |
| C31 | C22 | N41 | C27 | 179.8° | 176.0° |
| C31 | C22 | N41 | C34 | 0.5° | 4.0° |
| C22 | C31 | C35 | H32 | 38.2° | 63.3° |
| C22 | C31 | C35 | H33 | 158.6° | 176.7° |
| C22 | C31 | N40 | H36 | 103.1° | 70.3° |
| O45 | C29 | C30 | H20 | 120.2° | 120.5° |
| O45 | C29 | C30 | H21 | 120.3° | 119.6° |
| O45 | C29 | C30 | O46 | 57.7° | 149.1° |
| C29 | O45 | C26 | H9 | 94.0° | 25.1° |
| C29 | O45 | C26 | H10 | 25.4° | 145.4° |
| O45 | C29 | H20 | H21 | 119.2° | 119.6° |
| O45 | C29 | C30 | H23 | 177.7° | 90.9° |
| O45 | C29 | C30 | H24 | 62.4° | 29.0° |
| C22 | N41 | C27 | C34 | 179.7° | 180.0° |
| C22 | N41 | C27 | C28 | 119.1° | 117.9° |
| C22 | N41 | C27 | H18 | 1.5° | 1.9° |
| C22 | N41 | C27 | H19 | 120.3° | 122.2° |
| N41 | C22 | C31 | H25 | 3.0° | 76.3° |
| C22 | N41 | C34 | H29 | 180.0° | 36.2° |
| C22 | N41 | C34 | H30 | 60.0° | 156.2° |
| C22 | N41 | C34 | H31 | 60.0° | 83.8° |
| C15 | C3 | C9 | H22 | 180.0° | 180.0° |
| C3 | C15 | C6 | C16 | 0.4° | 0.1° |
| C15 | C3 | C9 | C7 | 179.8° | 180.0° |
| C15 | C3 | C9 | C17 | 0.2° | 0.3° |
| C3 | C15 | C6 | H3 | 179.7° | 179.7° |
| C3 | C15 | C35 | H32 | 15.9° | 103.0° |
| C3 | C15 | C35 | H33 | 136.2° | 17.0° |
| C6 | C15 | C3 | C9 | 0.4° | 0.0° |
| C15 | C6 | C16 | H3 | 180.0° | 179.6° |
| C15 | C6 | C16 | C17 | 0.2° | 0.4° |
| C15 | C6 | C16 | C33 | 179.8° | 179.7° |
| C6 | C15 | C3 | H22 | 179.7° | 179.9° |
| C6 | C15 | C35 | H32 | 164.6° | 77.0° |
| C6 | C15 | C35 | H33 | 44.4° | 163.0° |
| C29 | C30 | O46 | H23 | 120.0° | 120.5° |
| C29 | C30 | O46 | H24 | 120.0° | 120.5° |
| C29 | C30 | O46 | C28 | 135.7° | 127.4° |
| C30 | C29 | H20 | H21 | 119.2° | 119.9° |
| C29 | C30 | H23 | H24 | 120.0° | 119.9° |
| C30 | O46 | C28 | C27 | 98.9° | 177.6° |
| C30 | O46 | C28 | H11 | 141.1° | 62.5° |
| C30 | O46 | C28 | H12 | 21.2° | 57.7° |
| O46 | C30 | C29 | H20 | 62.6° | 90.4° |
| O46 | C30 | C29 | H21 | 177.9° | 29.5° |
| O46 | C30 | H23 | H24 | 120.0° | 118.6° |
| C3 | C9 | C7 | C17 | 180.0° | 179.7° |
| C3 | C9 | C17 | C16 | 0.1° | 0.5° |
| C3 | C9 | C7 | N37 | 180.0° | 180.0° |
| C3 | C9 | C17 | N38 | 180.0° | 179.9° |
| C3 | C9 | C7 | H4 | 0.0° | 0.0° |
| O46 | C28 | C27 | N41 | 65.7° | 158.3° |
| O46 | C28 | C27 | H11 | 120.1° | 119.9° |
| O46 | C28 | C27 | H12 | 120.1° | 119.9° |
| O46 | C28 | H11 | H12 | 119.7° | 120.2° |
| O46 | C28 | C27 | H18 | 54.9° | 38.5° |
| O46 | C28 | C27 | H19 | 173.7° | 81.8° |
| C28 | O46 | C30 | H23 | 15.7° | 112.0° |
| C28 | O46 | C30 | H24 | 104.3° | 6.9° |
| N41 | C27 | C28 | H18 | 120.6° | 119.8° |
| N41 | C27 | C28 | H19 | 120.6° | 119.8° |
| N41 | C27 | C28 | H11 | 54.4° | 38.5° |
| N41 | C27 | C28 | H12 | 174.2° | 81.8° |
| N41 | C27 | H18 | H19 | 118.1° | 120.3° |
| C27 | N41 | C34 | H29 | 0.3° | 143.8° |
| C27 | N41 | C34 | H30 | 119.7° | 23.8° |
| C27 | N41 | C34 | H31 | 120.3° | 96.2° |
| C34 | N41 | C27 | C28 | 61.2° | 62.0° |
| C34 | N41 | C27 | H18 | 178.2° | 178.2° |
| C34 | N41 | C27 | H19 | 59.4° | 57.8° |
| N41 | C34 | H29 | H30 | 120.0° | 120.0° |
| N41 | C34 | H29 | H31 | 120.0° | 119.9° |
| N41 | C34 | H30 | H31 | 120.0° | 120.0° |
| C6 | C16 | C17 | C9 | 0.1° | 0.6° |
| C6 | C16 | C17 | C33 | 180.0° | 179.9° |
| C6 | C16 | C17 | N38 | 180.0° | 179.9° |
| C6 | C16 | C33 | H26 | 90.0° | 90.0° |
| C6 | C16 | C33 | H27 | 150.0° | 150.0° |
| C6 | C16 | C33 | H28 | 30.0° | 30.1° |
| C27 | C28 | H11 | H12 | 119.7° | 120.2° |
| C28 | C27 | H18 | H19 | 118.1° | 120.3° |
| C7 | C9 | C17 | C16 | 180.0° | 179.7° |
| C9 | C7 | N37 | H4 | 180.0° | 180.0° |
| C7 | C9 | C17 | N38 | 0.0° | 0.1° |
| C9 | C7 | N37 | N38 | 0.0° | 0.3° |
| C7 | C9 | C3 | H22 | 0.2° | 0.0° |
| C9 | C7 | N37 | H34 | 180.0° | 180.0° |
| C9 | C17 | C16 | N38 | 179.9° | 179.4° |
| C9 | C17 | C16 | C33 | 180.0° | 179.5° |
| C17 | C9 | C7 | N37 | 0.0° | 0.3° |
| C9 | C17 | N38 | N37 | 0.0° | 0.0° |
| C17 | C9 | C7 | H4 | 180.0° | 179.7° |
| C17 | C9 | C3 | H22 | 179.8° | 179.7° |
| C16 | C17 | N38 | N37 | 179.9° | 179.4° |
| C17 | C16 | C6 | H3 | 179.8° | 180.0° |
| C17 | C16 | C33 | H26 | 90.0° | 90.0° |
| C17 | C16 | C33 | H27 | 30.0° | 30.1° |
| C17 | C16 | C33 | H28 | 150.0° | 150.0° |
| C33 | C16 | C17 | N38 | 0.0° | 0.1° |
| C33 | C16 | C6 | H3 | 0.2° | 0.1° |
| C16 | C33 | H26 | H27 | 120.0° | 120.0° |
| C16 | C33 | H26 | H28 | 120.0° | 120.0° |
| C16 | C33 | H27 | H28 | 120.0° | 119.9° |
| C7 | N37 | N38 | C17 | 0.0° | 0.2° |
| C7 | N37 | N38 | H34 | 180.0° | 179.7° |
| C17 | N38 | N37 | H34 | 180.0° | 179.9° |
| N38 | N37 | C7 | H4 | 179.9° | 179.7° |
| H4 | C7 | N37 | H34 | 0.0° | 0.0° |
| H6 | C20 | C26 | H9 | 85.1° | 129.9° |
| H6 | C20 | C26 | H10 | 155.6° | 109.9° |
| H6 | C20 | C19 | H14 | 179.7° | 178.0° |
| H11 | C28 | C27 | H18 | 175.0° | 81.3° |
| H11 | C28 | C27 | H19 | 66.3° | 158.3° |
| H12 | C28 | C27 | H18 | 65.2° | 158.5° |
| H12 | C28 | C27 | H19 | 53.6° | 38.1° |
| H13 | C1 | C2 | H15 | 0.3° | 0.2° |
| H20 | C29 | C30 | H23 | 57.4° | 29.7° |
| H20 | C29 | C30 | H24 | 177.4° | 149.5° |
| H21 | C29 | C30 | H23 | 62.1° | 149.5° |
| H21 | C29 | C30 | H24 | 57.9° | 90.6° |
| H25 | C31 | C35 | H32 | 155.4° | 57.4° |
| H25 | C31 | C35 | H33 | 84.3° | 62.6° |
| H25 | C31 | N40 | H36 | 141.5° | 49.4° |
| H26 | C33 | H27 | H28 | 120.0° | 120.0° |
| H29 | C34 | H30 | H31 | 120.0° | 120.1° |
