L9R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C5 | sing | 1.47Å | 1.51Å | |
| N | C6 | sing | 1.47Å | 1.45Å | |
| N | C7 | sing | 1.47Å | 1.49Å | |
| N | C8 | sing | 1.47Å | 1.48Å | |
| P | O1P | doub | 1.54Å | 1.48Å | |
| P | O2P | sing | 1.55Å | 1.49Å | |
| P | O3P | sing | 1.61Å | 1.69Å | |
| P | O4P | sing | 1.61Å | 1.69Å | |
| C1 | C2 | sing | 1.53Å | 1.57Å | |
| C1 | O3P | sing | 1.43Å | 1.48Å | |
| C2 | O2 | sing | 1.45Å | 1.49Å | |
| C2 | C3 | sing | 1.53Å | 1.56Å | |
| O2 | C31 | sing | 1.34Å | 1.39Å | |
| C3 | O3 | sing | 1.45Å | 1.47Å | |
| O3 | C11 | sing | 1.34Å | 1.40Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | O4P | sing | 1.43Å | 1.46Å | |
| C11 | O11 | doub | 1.21Å | 1.24Å | |
| C11 | C12 | sing | 1.51Å | 1.57Å | |
| C12 | C13 | sing | 1.53Å | 1.56Å | |
| C13 | C14 | sing | 1.53Å | 1.56Å | |
| C14 | C15 | sing | 1.53Å | 1.56Å | |
| C15 | C16 | sing | 1.53Å | 1.56Å | |
| C16 | C17 | sing | 1.53Å | 1.56Å | |
| C17 | C18 | sing | 1.53Å | 1.55Å | |
| C18 | C19 | sing | 1.53Å | 1.55Å | |
| C19 | C20 | sing | 1.53Å | 1.55Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C21 | C22 | sing | 1.53Å | 1.55Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C23 | C24 | sing | 1.53Å | 1.55Å | |
| C24 | C25 | sing | 1.53Å | 1.56Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C26 | C27 | sing | 1.53Å | 1.56Å | |
| C27 | C28 | sing | 1.53Å | 1.56Å | |
| C31 | O31 | doub | 1.21Å | 1.22Å | |
| C31 | C32 | sing | 1.51Å | 1.54Å | |
| C32 | C33 | sing | 1.53Å | 1.54Å | |
| C33 | C34 | sing | 1.53Å | 1.55Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C35 | C36 | sing | 1.53Å | 1.54Å | |
| C36 | C37 | sing | 1.53Å | 1.55Å | |
| C37 | C38 | sing | 1.53Å | 1.53Å | |
| C38 | C39 | sing | 1.51Å | 1.39Å | |
| C39 | C40 | doub | 1.31Å | 1.40Å | |
| C40 | C41 | sing | 1.51Å | 1.41Å | |
| C41 | C42 | sing | 1.53Å | 1.56Å | |
| C42 | C43 | sing | 1.53Å | 1.53Å | |
| C43 | C44 | sing | 1.53Å | 1.56Å | |
| C44 | C45 | sing | 1.53Å | 1.53Å | |
| C45 | C46 | sing | 1.53Å | 1.56Å | |
| C46 | C47 | sing | 1.53Å | 1.56Å | |
| C47 | C48 | sing | 1.53Å | 1.55Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C6 | H6B | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C7 | H7B | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C8 | H8B | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C28 | H28B | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H41A | sing | 1.09Å | 1.10Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| C42 | H42A | sing | 1.09Å | 1.10Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| C43 | H43A | sing | 1.09Å | 1.10Å | |
| C44 | H44 | sing | 1.09Å | 1.10Å | |
| C44 | H44A | sing | 1.09Å | 1.10Å | |
| C45 | H45 | sing | 1.09Å | 1.10Å | |
| C45 | H45A | sing | 1.09Å | 1.10Å | |
| C46 | H46 | sing | 1.09Å | 1.10Å | |
| C46 | H46A | sing | 1.09Å | 1.10Å | |
| C47 | H47 | sing | 1.09Å | 1.10Å | |
| C47 | H47A | sing | 1.09Å | 1.10Å | |
| C48 | H48 | sing | 1.09Å | 1.10Å | |
| C48 | H48A | sing | 1.09Å | 1.10Å | |
| C48 | H48B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | N | C6 | 112.7° | 109.5° |
| C5 | N | C7 | 117.9° | 109.5° |
| C5 | N | C8 | 107.1° | 109.5° |
| N | C5 | C4 | 115.2° | 109.5° |
| N | C5 | H5 | 107.6° | 109.5° |
| N | C5 | H5A | 107.6° | 109.5° |
| C6 | N | C7 | 103.8° | 109.4° |
| C6 | N | C8 | 104.5° | 109.5° |
| N | C6 | H6 | 109.5° | 109.5° |
| N | C6 | H6A | 109.5° | 109.5° |
| N | C6 | H6B | 109.4° | 109.5° |
| C7 | N | C8 | 110.1° | 109.5° |
| N | C7 | H7 | 109.5° | 109.5° |
| N | C7 | H7A | 109.5° | 109.5° |
| N | C7 | H7B | 109.5° | 109.5° |
| N | C8 | H8 | 109.5° | 109.4° |
| N | C8 | H8A | 109.5° | 109.5° |
| N | C8 | H8B | 109.5° | 109.5° |
| O1P | P | O2P | 120.2° | 109.5° |
| O1P | P | O3P | 106.7° | 109.5° |
| O1P | P | O4P | 107.1° | 109.5° |
| O2P | P | O3P | 108.8° | 109.4° |
| O2P | P | O4P | 105.5° | 109.5° |
| O3P | P | O4P | 108.0° | 109.5° |
| P | O3P | C1 | 125.8° | 123.0° |
| P | O4P | C4 | 120.7° | 123.0° |
| C2 | C1 | O3P | 111.6° | 109.5° |
| C1 | C2 | O2 | 114.3° | 109.4° |
| C1 | C2 | C3 | 117.7° | 109.5° |
| C2 | C1 | H1 | 108.8° | 109.5° |
| C2 | C1 | H1A | 108.8° | 109.5° |
| C1 | C2 | H2 | 98.3° | 109.5° |
| O3P | C1 | H1 | 108.7° | 109.5° |
| O3P | C1 | H1A | 108.8° | 109.5° |
| O2 | C2 | C3 | 105.0° | 109.5° |
| C2 | O2 | C31 | 117.7° | 117.0° |
| O2 | C2 | H2 | 112.7° | 109.5° |
| C2 | C3 | O3 | 123.8° | 109.5° |
| C3 | C2 | H2 | 108.9° | 109.5° |
| C2 | C3 | H3 | 104.9° | 109.4° |
| C2 | C3 | H3A | 104.9° | 109.5° |
| O2 | C31 | O31 | 117.3° | 120.0° |
| O2 | C31 | C32 | 124.8° | 120.0° |
| C3 | O3 | C11 | 117.2° | 117.0° |
| O3 | C3 | H3 | 104.9° | 109.5° |
| O3 | C3 | H3A | 104.9° | 109.5° |
| O3 | C11 | O11 | 117.0° | 120.0° |
| O3 | C11 | C12 | 122.1° | 120.0° |
| C5 | C4 | O4P | 112.6° | 109.5° |
| C5 | C4 | H4 | 108.4° | 109.5° |
| C5 | C4 | H4A | 108.5° | 109.5° |
| C4 | C5 | H5 | 107.6° | 109.4° |
| C4 | C5 | H5A | 107.6° | 109.4° |
| O4P | C4 | H4 | 108.4° | 109.4° |
| O4P | C4 | H4A | 108.4° | 109.4° |
| O11 | C11 | C12 | 120.7° | 120.0° |
| C11 | C12 | C13 | 115.9° | 109.5° |
| C11 | C12 | H12 | 107.4° | 109.5° |
| C11 | C12 | H12A | 107.4° | 109.4° |
| C12 | C13 | C14 | 114.6° | 109.5° |
| C13 | C12 | H12 | 107.4° | 109.5° |
| C13 | C12 | H12A | 107.4° | 109.5° |
| C12 | C13 | H13 | 107.8° | 109.5° |
| C12 | C13 | H13A | 107.8° | 109.5° |
| C13 | C14 | C15 | 112.0° | 109.5° |
| C14 | C13 | H13 | 107.8° | 109.5° |
| C14 | C13 | H13A | 107.8° | 109.5° |
| C13 | C14 | H14 | 108.6° | 109.5° |
| C13 | C14 | H14A | 108.6° | 109.5° |
| C14 | C15 | C16 | 115.0° | 109.5° |
| C15 | C14 | H14 | 108.6° | 109.4° |
| C15 | C14 | H14A | 108.6° | 109.4° |
| C14 | C15 | H15 | 107.7° | 109.5° |
| C14 | C15 | H15A | 107.7° | 109.4° |
| C15 | C16 | C17 | 112.6° | 109.5° |
| C16 | C15 | H15 | 107.7° | 109.5° |
| C16 | C15 | H15A | 107.7° | 109.5° |
| C15 | C16 | H16 | 108.5° | 109.5° |
| C15 | C16 | H16A | 108.5° | 109.4° |
| C16 | C17 | C18 | 114.8° | 109.4° |
| C17 | C16 | H16 | 108.4° | 109.5° |
| C17 | C16 | H16A | 108.4° | 109.5° |
| C16 | C17 | H17 | 107.7° | 109.5° |
| C16 | C17 | H17A | 107.7° | 109.5° |
| C17 | C18 | C19 | 114.2° | 109.4° |
| C18 | C17 | H17 | 107.7° | 109.5° |
| C18 | C17 | H17A | 107.7° | 109.5° |
| C17 | C18 | H18 | 107.9° | 109.5° |
| C17 | C18 | H18A | 107.9° | 109.5° |
| C18 | C19 | C20 | 113.1° | 109.5° |
| C19 | C18 | H18 | 107.9° | 109.5° |
| C19 | C18 | H18A | 107.9° | 109.4° |
| C18 | C19 | H19 | 108.3° | 109.5° |
| C18 | C19 | H19A | 108.3° | 109.4° |
| C19 | C20 | C21 | 113.3° | 109.5° |
| C20 | C19 | H19 | 108.3° | 109.5° |
| C20 | C19 | H19A | 108.3° | 109.5° |
| C19 | C20 | H20 | 108.2° | 109.5° |
| C19 | C20 | H20A | 108.2° | 109.4° |
| C20 | C21 | C22 | 112.4° | 109.5° |
| C21 | C20 | H20 | 108.2° | 109.5° |
| C21 | C20 | H20A | 108.2° | 109.5° |
| C20 | C21 | H21 | 108.5° | 109.5° |
| C20 | C21 | H21A | 108.5° | 109.5° |
| C21 | C22 | C23 | 113.4° | 109.5° |
| C22 | C21 | H21 | 108.5° | 109.5° |
| C22 | C21 | H21A | 108.5° | 109.5° |
| C21 | C22 | H22 | 108.2° | 109.5° |
| C21 | C22 | H22A | 108.2° | 109.5° |
| C22 | C23 | C24 | 114.7° | 109.4° |
| C23 | C22 | H22 | 108.2° | 109.4° |
| C23 | C22 | H22A | 108.2° | 109.4° |
| C22 | C23 | H23 | 107.8° | 109.5° |
| C22 | C23 | H23A | 107.8° | 109.4° |
| C23 | C24 | C25 | 117.2° | 109.4° |
| C24 | C23 | H23 | 107.8° | 109.5° |
| C24 | C23 | H23A | 107.8° | 109.5° |
| C23 | C24 | H24 | 107.0° | 109.5° |
| C23 | C24 | H24A | 107.0° | 109.5° |
| C24 | C25 | C26 | 111.1° | 109.5° |
| C25 | C24 | H24 | 107.0° | 109.5° |
| C25 | C24 | H24A | 107.0° | 109.5° |
| C24 | C25 | H25 | 109.0° | 109.5° |
| C24 | C25 | H25A | 109.0° | 109.5° |
| C25 | C26 | C27 | 117.5° | 109.5° |
| C26 | C25 | H25 | 108.9° | 109.5° |
| C26 | C25 | H25A | 108.9° | 109.4° |
| C25 | C26 | H26 | 106.9° | 109.5° |
| C25 | C26 | H26A | 106.9° | 109.5° |
| C26 | C27 | C28 | 114.7° | 109.5° |
| C27 | C26 | H26 | 106.9° | 109.5° |
| C27 | C26 | H26A | 106.9° | 109.4° |
| C26 | C27 | H27 | 107.7° | 109.5° |
| C26 | C27 | H27A | 107.8° | 109.4° |
| C28 | C27 | H27 | 107.8° | 109.5° |
| C28 | C27 | H27A | 107.7° | 109.5° |
| C27 | C28 | H28 | 109.5° | 109.4° |
| C27 | C28 | H28A | 109.5° | 109.5° |
| C27 | C28 | H28B | 109.4° | 109.5° |
| O31 | C31 | C32 | 117.9° | 120.0° |
| C31 | C32 | C33 | 113.7° | 109.5° |
| C31 | C32 | H32 | 108.1° | 109.5° |
| C31 | C32 | H32A | 108.1° | 109.5° |
| C32 | C33 | C34 | 113.9° | 109.5° |
| C33 | C32 | H32 | 108.1° | 109.5° |
| C33 | C32 | H32A | 108.1° | 109.5° |
| C32 | C33 | H33 | 108.0° | 109.5° |
| C32 | C33 | H33A | 108.0° | 109.4° |
| C33 | C34 | C35 | 115.8° | 109.5° |
| C34 | C33 | H33 | 108.0° | 109.4° |
| C34 | C33 | H33A | 108.0° | 109.5° |
| C33 | C34 | H34 | 107.4° | 109.4° |
| C33 | C34 | H34A | 107.4° | 109.5° |
| C34 | C35 | C36 | 109.7° | 109.5° |
| C35 | C34 | H34 | 107.4° | 109.5° |
| C35 | C34 | H34A | 107.4° | 109.5° |
| C34 | C35 | H35 | 109.4° | 109.5° |
| C34 | C35 | H35A | 109.4° | 109.4° |
| C35 | C36 | C37 | 114.8° | 109.5° |
| C36 | C35 | H35 | 109.4° | 109.5° |
| C36 | C35 | H35A | 109.4° | 109.5° |
| C35 | C36 | H36 | 107.7° | 109.4° |
| C35 | C36 | H36A | 107.7° | 109.4° |
| C36 | C37 | C38 | 111.3° | 109.5° |
| C37 | C36 | H36 | 107.7° | 109.5° |
| C37 | C36 | H36A | 107.7° | 109.5° |
| C36 | C37 | H37 | 108.9° | 109.5° |
| C36 | C37 | H37A | 108.9° | 109.5° |
| C37 | C38 | C39 | 113.1° | 109.5° |
| C38 | C37 | H37 | 108.9° | 109.5° |
| C38 | C37 | H37A | 108.8° | 109.4° |
| C37 | C38 | H38 | 108.3° | 109.5° |
| C37 | C38 | H38A | 108.3° | 109.5° |
| C38 | C39 | C40 | 124.3° | 120.0° |
| C39 | C38 | H38 | 108.3° | 109.5° |
| C39 | C38 | H38A | 108.3° | 109.4° |
| C38 | C39 | H39 | 117.8° | 120.0° |
| C39 | C40 | C41 | 125.5° | 120.0° |
| C40 | C39 | H39 | 117.9° | 120.0° |
| C39 | C40 | H40 | 117.3° | 120.0° |
| C40 | C41 | C42 | 109.3° | 109.5° |
| C41 | C40 | H40 | 117.3° | 120.0° |
| C40 | C41 | H41 | 109.5° | 109.4° |
| C40 | C41 | H41A | 109.5° | 109.5° |
| C41 | C42 | C43 | 113.3° | 109.4° |
| C42 | C41 | H41 | 109.5° | 109.5° |
| C42 | C41 | H41A | 109.5° | 109.5° |
| C41 | C42 | H42 | 108.2° | 109.5° |
| C41 | C42 | H42A | 108.2° | 109.5° |
| C42 | C43 | C44 | 111.6° | 109.4° |
| C43 | C42 | H42 | 108.2° | 109.4° |
| C43 | C42 | H42A | 108.2° | 109.5° |
| C42 | C43 | H43 | 108.8° | 109.4° |
| C42 | C43 | H43A | 108.8° | 109.5° |
| C43 | C44 | C45 | 110.5° | 109.4° |
| C44 | C43 | H43 | 108.8° | 109.5° |
| C44 | C43 | H43A | 108.7° | 109.5° |
| C43 | C44 | H44 | 109.1° | 109.5° |
| C43 | C44 | H44A | 109.1° | 109.5° |
| C44 | C45 | C46 | 119.1° | 109.5° |
| C45 | C44 | H44 | 109.2° | 109.5° |
| C45 | C44 | H44A | 109.1° | 109.5° |
| C44 | C45 | H45 | 106.4° | 109.5° |
| C44 | C45 | H45A | 106.4° | 109.5° |
| C45 | C46 | C47 | 109.4° | 109.5° |
| C46 | C45 | H45 | 106.4° | 109.5° |
| C46 | C45 | H45A | 106.4° | 109.5° |
| C45 | C46 | H46 | 109.5° | 109.4° |
| C45 | C46 | H46A | 109.5° | 109.5° |
| C46 | C47 | C48 | 118.4° | 109.5° |
| C47 | C46 | H46 | 109.5° | 109.5° |
| C47 | C46 | H46A | 109.5° | 109.5° |
| C46 | C47 | H47 | 106.6° | 109.5° |
| C46 | C47 | H47A | 106.6° | 109.5° |
| C48 | C47 | H47 | 106.6° | 109.5° |
| C48 | C47 | H47A | 106.6° | 109.5° |
| C47 | C48 | H48 | 109.5° | 109.5° |
| C47 | C48 | H48A | 109.5° | 109.5° |
| C47 | C48 | H48B | 109.4° | 109.5° |
| H1 | C1 | H1A | 110.2° | 109.4° |
| H3 | C3 | H3A | 113.6° | 109.4° |
| H4 | C4 | H4A | 110.5° | 109.5° |
| H5 | C5 | H5A | 111.2° | 109.5° |
| H6 | C6 | H6A | 109.4° | 109.4° |
| H6 | C6 | H6B | 109.5° | 109.4° |
| H6A | C6 | H6B | 109.5° | 109.5° |
| H7 | C7 | H7A | 109.5° | 109.4° |
| H7 | C7 | H7B | 109.5° | 109.4° |
| H7A | C7 | H7B | 109.5° | 109.5° |
| H8 | C8 | H8A | 109.4° | 109.5° |
| H8 | C8 | H8B | 109.4° | 109.5° |
| H8A | C8 | H8B | 109.5° | 109.5° |
| H12 | C12 | H12A | 111.4° | 109.5° |
| H13 | C13 | H13A | 111.1° | 109.5° |
| H14 | C14 | H14A | 110.3° | 109.5° |
| H15 | C15 | H15A | 111.2° | 109.5° |
| H16 | C16 | H16A | 110.5° | 109.5° |
| H17 | C17 | H17A | 111.1° | 109.5° |
| H18 | C18 | H18A | 111.0° | 109.5° |
| H19 | C19 | H19A | 110.6° | 109.5° |
| H20 | C20 | H20A | 110.7° | 109.5° |
| H21 | C21 | H21A | 110.4° | 109.4° |
| H22 | C22 | H22A | 110.7° | 109.5° |
| H23 | C23 | H23A | 111.2° | 109.5° |
| H24 | C24 | H24A | 111.8° | 109.5° |
| H25 | C25 | H25A | 110.0° | 109.5° |
| H26 | C26 | H26A | 111.9° | 109.5° |
| H27 | C27 | H27A | 111.1° | 109.5° |
| H28 | C28 | H28A | 109.5° | 109.5° |
| H28 | C28 | H28B | 109.5° | 109.5° |
| H28A | C28 | H28B | 109.5° | 109.5° |
| H32 | C32 | H32A | 110.8° | 109.4° |
| H33 | C33 | H33A | 110.9° | 109.5° |
| H34 | C34 | H34A | 111.5° | 109.5° |
| H35 | C35 | H35A | 109.6° | 109.4° |
| H36 | C36 | H36A | 111.2° | 109.5° |
| H37 | C37 | H37A | 110.1° | 109.4° |
| H38 | C38 | H38A | 110.6° | 109.4° |
| H41 | C41 | H41A | 109.4° | 109.5° |
| H42 | C42 | H42A | 110.7° | 109.5° |
| H43 | C43 | H43A | 110.2° | 109.5° |
| H44 | C44 | H44A | 109.8° | 109.5° |
| H45 | C45 | H45A | 112.4° | 109.4° |
| H46 | C46 | H46A | 109.5° | 109.5° |
| H47 | C47 | H47A | 112.2° | 109.4° |
| H48 | C48 | H48A | 109.5° | 109.5° |
| H48 | C48 | H48B | 109.5° | 109.5° |
| H48A | C48 | H48B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | N | C6 | C7 | 128.7° | 120.0° |
| C5 | N | C6 | C8 | 115.9° | 120.0° |
| C5 | N | C7 | C8 | 123.2° | 120.0° |
| N | C5 | C4 | H5 | 120.0° | 120.0° |
| N | C5 | C4 | H5A | 120.0° | 120.0° |
| N | C5 | C4 | O4P | 126.2° | 67.1° |
| N | C5 | C4 | H4 | 6.2° | 172.9° |
| N | C5 | C4 | H4A | 113.8° | 52.9° |
| N | C5 | H5 | H5A | 117.6° | 120.1° |
| C5 | N | C6 | H6 | 180.0° | 60.0° |
| C5 | N | C6 | H6A | 60.0° | 180.0° |
| C5 | N | C6 | H6B | 60.0° | 60.0° |
| C5 | N | C7 | H7 | 180.0° | 60.0° |
| C5 | N | C7 | H7A | 60.0° | 180.0° |
| C5 | N | C7 | H7B | 60.0° | 60.0° |
| C5 | N | C8 | H8 | 180.0° | 70.7° |
| C5 | N | C8 | H8A | 60.0° | 169.3° |
| C5 | N | C8 | H8B | 60.0° | 49.3° |
| C6 | N | C7 | C8 | 111.4° | 120.0° |
| C6 | N | C5 | C4 | 91.0° | 54.2° |
| C6 | N | C5 | H5 | 29.0° | 174.2° |
| C6 | N | C5 | H5A | 149.0° | 65.7° |
| N | C6 | H6 | H6A | 120.0° | 120.1° |
| N | C6 | H6 | H6B | 120.0° | 120.0° |
| N | C6 | H6A | H6B | 120.0° | 120.0° |
| C6 | N | C7 | H7 | 54.6° | 180.0° |
| C6 | N | C7 | H7A | 65.4° | 60.0° |
| C6 | N | C7 | H7B | 174.6° | 60.0° |
| C6 | N | C8 | H8 | 60.3° | 49.4° |
| C6 | N | C8 | H8A | 179.7° | 70.7° |
| C6 | N | C8 | H8B | 59.7° | 169.3° |
| C7 | N | C5 | C4 | 30.0° | 174.2° |
| C7 | N | C5 | H5 | 150.0° | 65.8° |
| C7 | N | C5 | H5A | 90.0° | 54.2° |
| C7 | N | C6 | H6 | 51.3° | 60.0° |
| C7 | N | C6 | H6A | 171.3° | 60.0° |
| C7 | N | C6 | H6B | 68.7° | 180.0° |
| N | C7 | H7 | H7A | 120.0° | 120.0° |
| N | C7 | H7 | H7B | 120.0° | 120.0° |
| N | C7 | H7A | H7B | 120.0° | 120.1° |
| C7 | N | C8 | H8 | 50.7° | 169.3° |
| C7 | N | C8 | H8A | 69.3° | 49.3° |
| C7 | N | C8 | H8B | 170.6° | 70.7° |
| C8 | N | C5 | C4 | 154.6° | 65.8° |
| C8 | N | C5 | H5 | 85.3° | 54.2° |
| C8 | N | C5 | H5A | 34.6° | 174.2° |
| C8 | N | C6 | H6 | 64.1° | 180.0° |
| C8 | N | C6 | H6A | 55.9° | 60.0° |
| C8 | N | C6 | H6B | 175.9° | 60.1° |
| C8 | N | C7 | H7 | 56.8° | 60.0° |
| C8 | N | C7 | H7A | 176.8° | 59.9° |
| C8 | N | C7 | H7B | 63.2° | 180.0° |
| N | C8 | H8 | H8A | 120.0° | 120.0° |
| N | C8 | H8 | H8B | 120.0° | 120.0° |
| N | C8 | H8A | H8B | 120.0° | 120.0° |
| O1P | P | O2P | O3P | 123.3° | 120.0° |
| O1P | P | O2P | O4P | 120.9° | 120.1° |
| O1P | P | O3P | O4P | 114.9° | 120.1° |
| O1P | P | O3P | C1 | 105.0° | 54.9° |
| O1P | P | O4P | C4 | 92.8° | 55.0° |
| O2P | P | O3P | O4P | 114.1° | 120.0° |
| O2P | P | O3P | C1 | 26.1° | 65.0° |
| O2P | P | O4P | C4 | 36.3° | 65.0° |
| P | O3P | C1 | C2 | 167.2° | 180.0° |
| O3P | P | O4P | C4 | 152.6° | 175.0° |
| P | O3P | C1 | H1 | 47.2° | 59.9° |
| P | O3P | C1 | H1A | 72.8° | 60.0° |
| O4P | P | O3P | C1 | 140.2° | 175.0° |
| P | O4P | C4 | C5 | 137.3° | 179.9° |
| P | O4P | C4 | H4 | 17.3° | 60.0° |
| P | O4P | C4 | H4A | 102.7° | 59.9° |
| C2 | C1 | O3P | H1 | 120.0° | 120.1° |
| C2 | C1 | O3P | H1A | 120.0° | 120.0° |
| C1 | C2 | O2 | C3 | 130.5° | 120.0° |
| C1 | C2 | O2 | H2 | 111.2° | 120.0° |
| C1 | C2 | C3 | H2 | 110.7° | 120.0° |
| C1 | C2 | O2 | C31 | 137.3° | 90.0° |
| C1 | C2 | C3 | O3 | 40.2° | 55.0° |
| C2 | C1 | H1 | H1A | 119.1° | 120.0° |
| C1 | C2 | C3 | H3 | 160.2° | 65.1° |
| C1 | C2 | C3 | H3A | 79.8° | 175.0° |
| O3P | C1 | C2 | O2 | 35.6° | 65.0° |
| O3P | C1 | C2 | C3 | 159.5° | 55.0° |
| O3P | C1 | H1 | H1A | 119.1° | 120.0° |
| O3P | C1 | C2 | H2 | 84.0° | 175.0° |
| O2 | C2 | C3 | H2 | 120.9° | 120.0° |
| O2 | C2 | C3 | O3 | 168.6° | 65.0° |
| C2 | O2 | C31 | O31 | 64.7° | 0.1° |
| C2 | O2 | C31 | C32 | 116.4° | 180.0° |
| O2 | C2 | C1 | H1 | 155.6° | 55.0° |
| O2 | C2 | C1 | H1A | 84.4° | 175.0° |
| O2 | C2 | C3 | H3 | 71.4° | 175.0° |
| O2 | C2 | C3 | H3A | 48.7° | 55.1° |
| C3 | C2 | O2 | C31 | 92.3° | 150.0° |
| C2 | C3 | O3 | H3 | 120.0° | 120.0° |
| C2 | C3 | O3 | H3A | 120.0° | 120.0° |
| C2 | C3 | O3 | C11 | 137.2° | 180.0° |
| C3 | C2 | C1 | H1 | 80.5° | 175.0° |
| C3 | C2 | C1 | H1A | 39.5° | 65.0° |
| C2 | C3 | H3 | H3A | 114.0° | 119.9° |
| O2 | C31 | O31 | C32 | 178.9° | 180.0° |
| O2 | C31 | C32 | C33 | 86.4° | 180.0° |
| C31 | O2 | C2 | H2 | 26.1° | 30.0° |
| O2 | C31 | C32 | H32 | 33.6° | 60.0° |
| O2 | C31 | C32 | H32A | 153.6° | 60.0° |
| C3 | O3 | C11 | O11 | 148.0° | 0.0° |
| C3 | O3 | C11 | C12 | 36.9° | 180.0° |
| O3 | C3 | C2 | H2 | 70.5° | 175.0° |
| O3 | C3 | H3 | H3A | 114.1° | 120.0° |
| O3 | C11 | O11 | C12 | 175.2° | 180.0° |
| O3 | C11 | C12 | C13 | 142.2° | 180.0° |
| C11 | O3 | C3 | H3 | 17.2° | 60.0° |
| C11 | O3 | C3 | H3A | 102.9° | 60.0° |
| O3 | C11 | C12 | H12 | 22.2° | 60.0° |
| O3 | C11 | C12 | H12A | 97.8° | 60.0° |
| C5 | C4 | O4P | H4 | 120.0° | 120.0° |
| C5 | C4 | O4P | H4A | 120.0° | 120.0° |
| C5 | C4 | H4 | H4A | 118.7° | 120.0° |
| C4 | C5 | H5 | H5A | 117.7° | 119.9° |
| O4P | C4 | H4 | H4A | 118.7° | 119.9° |
| O4P | C4 | C5 | H5 | 113.8° | 52.9° |
| O4P | C4 | C5 | H5A | 6.2° | 172.9° |
| O11 | C11 | C12 | C13 | 42.8° | 0.0° |
| O11 | C11 | C12 | H12 | 162.9° | 120.0° |
| O11 | C11 | C12 | H12A | 77.2° | 120.0° |
| C11 | C12 | C13 | H12 | 120.0° | 120.0° |
| C11 | C12 | C13 | H12A | 120.0° | 120.0° |
| C11 | C12 | C13 | C14 | 140.8° | 180.0° |
| C11 | C12 | H12 | H12A | 117.3° | 120.0° |
| C11 | C12 | C13 | H13 | 20.8° | 60.0° |
| C11 | C12 | C13 | H13A | 99.2° | 60.0° |
| C12 | C13 | C14 | H13 | 120.0° | 120.0° |
| C12 | C13 | C14 | H13A | 120.0° | 120.0° |
| C12 | C13 | C14 | C15 | 134.1° | 180.0° |
| C13 | C12 | H12 | H12A | 117.3° | 120.0° |
| C12 | C13 | H13 | H13A | 117.9° | 120.0° |
| C12 | C13 | C14 | H14 | 105.9° | 60.0° |
| C12 | C13 | C14 | H14A | 14.1° | 60.0° |
| C13 | C14 | C15 | H14 | 120.0° | 120.0° |
| C13 | C14 | C15 | H14A | 120.0° | 120.0° |
| C13 | C14 | C15 | C16 | 178.2° | 180.0° |
| C14 | C13 | C12 | H12 | 99.2° | 60.0° |
| C14 | C13 | C12 | H12A | 20.8° | 60.0° |
| C14 | C13 | H13 | H13A | 117.9° | 120.0° |
| C13 | C14 | H14 | H14A | 119.0° | 120.1° |
| C13 | C14 | C15 | H15 | 58.2° | 60.0° |
| C13 | C14 | C15 | H15A | 61.8° | 60.0° |
| C14 | C15 | C16 | H15 | 120.0° | 120.0° |
| C14 | C15 | C16 | H15A | 120.0° | 119.9° |
| C14 | C15 | C16 | C17 | 157.0° | 180.0° |
| C15 | C14 | C13 | H13 | 14.1° | 60.0° |
| C15 | C14 | C13 | H13A | 105.9° | 60.0° |
| C15 | C14 | H14 | H14A | 118.9° | 119.9° |
| C14 | C15 | H15 | H15A | 117.8° | 120.0° |
| C14 | C15 | C16 | H16 | 83.0° | 60.0° |
| C14 | C15 | C16 | H16A | 37.0° | 60.0° |
| C15 | C16 | C17 | H16 | 120.0° | 120.0° |
| C15 | C16 | C17 | H16A | 120.0° | 120.0° |
| C15 | C16 | C17 | C18 | 147.2° | 180.0° |
| C16 | C15 | C14 | H14 | 61.8° | 60.0° |
| C16 | C15 | C14 | H14A | 58.2° | 60.0° |
| C16 | C15 | H15 | H15A | 117.7° | 120.0° |
| C15 | C16 | H16 | H16A | 118.7° | 120.0° |
| C15 | C16 | C17 | H17 | 92.8° | 60.0° |
| C15 | C16 | C17 | H17A | 27.2° | 60.0° |
| C16 | C17 | C18 | H17 | 120.0° | 120.0° |
| C16 | C17 | C18 | H17A | 120.0° | 120.0° |
| C16 | C17 | C18 | C19 | 127.4° | 180.0° |
| C17 | C16 | C15 | H15 | 37.0° | 60.0° |
| C17 | C16 | C15 | H15A | 83.0° | 60.1° |
| C17 | C16 | H16 | H16A | 118.7° | 120.0° |
| C16 | C17 | H17 | H17A | 117.8° | 120.0° |
| C16 | C17 | C18 | H18 | 112.6° | 60.0° |
| C16 | C17 | C18 | H18A | 7.4° | 60.0° |
| C17 | C18 | C19 | H18 | 120.0° | 120.0° |
| C17 | C18 | C19 | H18A | 120.0° | 120.0° |
| C17 | C18 | C19 | C20 | 178.3° | 180.0° |
| C18 | C17 | C16 | H16 | 27.2° | 60.0° |
| C18 | C17 | C16 | H16A | 92.8° | 60.0° |
| C18 | C17 | H17 | H17A | 117.8° | 120.0° |
| C17 | C18 | H18 | H18A | 118.1° | 120.1° |
| C17 | C18 | C19 | H19 | 58.3° | 60.0° |
| C17 | C18 | C19 | H19A | 61.6° | 60.0° |
| C18 | C19 | C20 | H19 | 120.0° | 120.0° |
| C18 | C19 | C20 | H19A | 120.0° | 120.0° |
| C18 | C19 | C20 | C21 | 90.1° | 180.0° |
| C19 | C18 | C17 | H17 | 7.4° | 60.0° |
| C19 | C18 | C17 | H17A | 112.6° | 60.0° |
| C19 | C18 | H18 | H18A | 118.0° | 120.0° |
| C18 | C19 | H19 | H19A | 118.5° | 119.9° |
| C18 | C19 | C20 | H20 | 149.9° | 60.0° |
| C18 | C19 | C20 | H20A | 29.9° | 60.0° |
| C19 | C20 | C21 | H20 | 120.0° | 120.0° |
| C19 | C20 | C21 | H20A | 120.0° | 120.0° |
| C19 | C20 | C21 | C22 | 146.5° | 180.0° |
| C20 | C19 | C18 | H18 | 61.7° | 60.0° |
| C20 | C19 | C18 | H18A | 58.3° | 60.0° |
| C20 | C19 | H19 | H19A | 118.5° | 120.0° |
| C19 | C20 | H20 | H20A | 118.4° | 120.0° |
| C19 | C20 | C21 | H21 | 26.5° | 60.0° |
| C19 | C20 | C21 | H21A | 93.5° | 60.0° |
| C20 | C21 | C22 | H21 | 120.0° | 120.0° |
| C20 | C21 | C22 | H21A | 120.0° | 120.1° |
| C20 | C21 | C22 | C23 | 149.2° | 180.0° |
| C21 | C20 | C19 | H19 | 29.9° | 60.0° |
| C21 | C20 | C19 | H19A | 149.9° | 60.0° |
| C21 | C20 | H20 | H20A | 118.4° | 120.0° |
| C20 | C21 | H21 | H21A | 118.8° | 120.0° |
| C20 | C21 | C22 | H22 | 90.8° | 60.0° |
| C20 | C21 | C22 | H22A | 29.2° | 60.0° |
| C21 | C22 | C23 | H22 | 120.0° | 120.0° |
| C21 | C22 | C23 | H22A | 120.0° | 120.0° |
| C21 | C22 | C23 | C24 | 58.4° | 180.0° |
| C22 | C21 | C20 | H20 | 93.5° | 60.0° |
| C22 | C21 | C20 | H20A | 26.5° | 60.0° |
| C22 | C21 | H21 | H21A | 118.8° | 120.0° |
| C21 | C22 | H22 | H22A | 118.4° | 120.1° |
| C21 | C22 | C23 | H23 | 61.5° | 60.0° |
| C21 | C22 | C23 | H23A | 178.4° | 60.0° |
| C22 | C23 | C24 | H23 | 120.0° | 120.0° |
| C22 | C23 | C24 | H23A | 120.0° | 119.9° |
| C22 | C23 | C24 | C25 | 147.7° | 180.0° |
| C23 | C22 | C21 | H21 | 29.2° | 60.0° |
| C23 | C22 | C21 | H21A | 90.8° | 60.0° |
| C23 | C22 | H22 | H22A | 118.4° | 119.9° |
| C22 | C23 | H23 | H23A | 117.9° | 120.0° |
| C22 | C23 | C24 | H24 | 27.7° | 60.0° |
| C22 | C23 | C24 | H24A | 92.3° | 60.0° |
| C23 | C24 | C25 | H24 | 120.0° | 120.0° |
| C23 | C24 | C25 | H24A | 120.0° | 120.0° |
| C23 | C24 | C25 | C26 | 160.2° | 180.0° |
| C24 | C23 | C22 | H22 | 178.4° | 60.0° |
| C24 | C23 | C22 | H22A | 61.6° | 60.0° |
| C24 | C23 | H23 | H23A | 117.9° | 120.1° |
| C23 | C24 | H24 | H24A | 116.8° | 120.0° |
| C23 | C24 | C25 | H25 | 40.2° | 60.0° |
| C23 | C24 | C25 | H25A | 79.8° | 60.0° |
| C24 | C25 | C26 | H25 | 120.0° | 120.0° |
| C24 | C25 | C26 | H25A | 120.0° | 120.0° |
| C24 | C25 | C26 | C27 | 99.4° | 180.0° |
| C25 | C24 | C23 | H23 | 92.3° | 60.0° |
| C25 | C24 | C23 | H23A | 27.8° | 60.0° |
| C25 | C24 | H24 | H24A | 116.8° | 120.0° |
| C24 | C25 | H25 | H25A | 119.4° | 120.0° |
| C24 | C25 | C26 | H26 | 20.6° | 60.0° |
| C24 | C25 | C26 | H26A | 140.6° | 60.1° |
| C25 | C26 | C27 | H26 | 120.0° | 120.0° |
| C25 | C26 | C27 | H26A | 120.0° | 120.0° |
| C25 | C26 | C27 | C28 | 153.8° | 180.0° |
| C26 | C25 | C24 | H24 | 79.8° | 60.0° |
| C26 | C25 | C24 | H24A | 40.2° | 60.0° |
| C26 | C25 | H25 | H25A | 119.3° | 120.0° |
| C25 | C26 | H26 | H26A | 116.7° | 120.0° |
| C25 | C26 | C27 | H27 | 86.2° | 60.0° |
| C25 | C26 | C27 | H27A | 33.8° | 60.0° |
| C26 | C27 | C28 | H27 | 120.0° | 120.0° |
| C26 | C27 | C28 | H27A | 120.0° | 119.9° |
| C27 | C26 | C25 | H25 | 140.6° | 60.0° |
| C27 | C26 | C25 | H25A | 20.6° | 60.0° |
| C27 | C26 | H26 | H26A | 116.7° | 120.0° |
| C26 | C27 | H27 | H27A | 117.9° | 120.0° |
| C26 | C27 | C28 | H28 | 180.0° | 60.0° |
| C26 | C27 | C28 | H28A | 60.0° | 180.0° |
| C26 | C27 | C28 | H28B | 60.0° | 60.0° |
| C28 | C27 | C26 | H26 | 33.8° | 60.0° |
| C28 | C27 | C26 | H26A | 86.2° | 60.0° |
| C28 | C27 | H27 | H27A | 117.8° | 120.0° |
| C27 | C28 | H28 | H28A | 120.0° | 120.0° |
| C27 | C28 | H28 | H28B | 120.0° | 120.0° |
| C27 | C28 | H28A | H28B | 120.0° | 120.0° |
| O31 | C31 | C32 | C33 | 92.5° | 0.0° |
| O31 | C31 | C32 | H32 | 147.5° | 120.0° |
| O31 | C31 | C32 | H32A | 27.5° | 120.0° |
| C31 | C32 | C33 | H32 | 120.0° | 120.0° |
| C31 | C32 | C33 | H32A | 120.0° | 120.0° |
| C31 | C32 | C33 | C34 | 150.8° | 180.0° |
| C31 | C32 | H32 | H32A | 118.3° | 120.0° |
| C31 | C32 | C33 | H33 | 30.8° | 60.0° |
| C31 | C32 | C33 | H33A | 89.2° | 60.0° |
| C32 | C33 | C34 | H33 | 120.0° | 120.0° |
| C32 | C33 | C34 | H33A | 120.0° | 120.0° |
| C32 | C33 | C34 | C35 | 105.6° | 180.0° |
| C33 | C32 | H32 | H32A | 118.3° | 120.0° |
| C32 | C33 | H33 | H33A | 118.2° | 120.0° |
| C32 | C33 | C34 | H34 | 14.3° | 60.0° |
| C32 | C33 | C34 | H34A | 134.4° | 60.0° |
| C33 | C34 | C35 | H34 | 120.0° | 120.0° |
| C33 | C34 | C35 | H34A | 120.0° | 120.0° |
| C33 | C34 | C35 | C36 | 156.4° | 180.0° |
| C34 | C33 | C32 | H32 | 89.1° | 60.0° |
| C34 | C33 | C32 | H32A | 30.8° | 60.0° |
| C34 | C33 | H33 | H33A | 118.2° | 120.0° |
| C33 | C34 | H34 | H34A | 117.4° | 120.0° |
| C33 | C34 | C35 | H35 | 83.6° | 60.0° |
| C33 | C34 | C35 | H35A | 36.4° | 60.0° |
| C34 | C35 | C36 | H35 | 120.0° | 120.0° |
| C34 | C35 | C36 | H35A | 120.0° | 120.0° |
| C34 | C35 | C36 | C37 | 158.4° | 180.0° |
| C35 | C34 | C33 | H33 | 134.4° | 60.0° |
| C35 | C34 | C33 | H33A | 14.4° | 60.0° |
| C35 | C34 | H34 | H34A | 117.4° | 120.0° |
| C34 | C35 | H35 | H35A | 119.9° | 120.0° |
| C34 | C35 | C36 | H36 | 81.6° | 60.0° |
| C34 | C35 | C36 | H36A | 38.3° | 60.0° |
| C35 | C36 | C37 | H36 | 120.0° | 120.0° |
| C35 | C36 | C37 | H36A | 120.0° | 120.0° |
| C35 | C36 | C37 | C38 | 57.3° | 180.0° |
| C36 | C35 | C34 | H34 | 36.5° | 60.0° |
| C36 | C35 | C34 | H34A | 83.5° | 60.0° |
| C36 | C35 | H35 | H35A | 119.9° | 120.0° |
| C35 | C36 | H36 | H36A | 117.8° | 119.9° |
| C35 | C36 | C37 | H37 | 177.3° | 60.0° |
| C35 | C36 | C37 | H37A | 62.7° | 60.0° |
| C36 | C37 | C38 | H37 | 120.0° | 120.1° |
| C36 | C37 | C38 | H37A | 120.0° | 120.0° |
| C36 | C37 | C38 | C39 | 179.3° | 180.0° |
| C37 | C36 | C35 | H35 | 38.4° | 60.0° |
| C37 | C36 | C35 | H35A | 81.7° | 60.0° |
| C37 | C36 | H36 | H36A | 117.8° | 120.1° |
| C36 | C37 | H37 | H37A | 119.3° | 120.0° |
| C36 | C37 | C38 | H38 | 59.3° | 59.9° |
| C36 | C37 | C38 | H38A | 60.7° | 60.0° |
| C37 | C38 | C39 | H38 | 120.0° | 120.1° |
| C37 | C38 | C39 | H38A | 120.0° | 120.0° |
| C37 | C38 | C39 | C40 | 113.7° | 127.4° |
| C38 | C37 | C36 | H36 | 62.7° | 60.0° |
| C38 | C37 | C36 | H36A | 177.3° | 60.1° |
| C38 | C37 | H37 | H37A | 119.2° | 119.9° |
| C37 | C38 | H38 | H38A | 118.6° | 120.0° |
| C37 | C38 | C39 | H39 | 66.3° | 52.5° |
| C38 | C39 | C40 | H39 | 180.0° | 179.9° |
| C38 | C39 | C40 | C41 | 4.2° | 7.7° |
| C39 | C38 | C37 | H37 | 60.7° | 59.9° |
| C39 | C38 | C37 | H37A | 59.3° | 60.0° |
| C39 | C38 | H38 | H38A | 118.5° | 119.9° |
| C38 | C39 | C40 | H40 | 175.8° | 172.4° |
| C39 | C40 | C41 | H40 | 180.0° | 179.9° |
| C39 | C40 | C41 | C42 | 172.6° | 126.2° |
| C40 | C39 | C38 | H38 | 6.3° | 7.3° |
| C40 | C39 | C38 | H38A | 126.3° | 112.7° |
| C39 | C40 | C41 | H41 | 52.6° | 113.9° |
| C39 | C40 | C41 | H41A | 67.4° | 6.2° |
| C40 | C41 | C42 | H41 | 120.0° | 119.9° |
| C40 | C41 | C42 | H41A | 120.0° | 120.1° |
| C40 | C41 | C42 | C43 | 144.7° | 180.0° |
| C41 | C40 | C39 | H39 | 175.8° | 172.4° |
| C40 | C41 | H41 | H41A | 120.0° | 120.0° |
| C40 | C41 | C42 | H42 | 95.3° | 60.1° |
| C40 | C41 | C42 | H42A | 24.7° | 60.0° |
| C41 | C42 | C43 | H42 | 120.0° | 119.9° |
| C41 | C42 | C43 | H42A | 120.0° | 120.0° |
| C41 | C42 | C43 | C44 | 165.4° | 180.0° |
| C42 | C41 | C40 | H40 | 7.4° | 53.7° |
| C42 | C41 | H41 | H41A | 120.1° | 120.1° |
| C41 | C42 | H42 | H42A | 118.4° | 120.0° |
| C41 | C42 | C43 | H43 | 45.4° | 60.1° |
| C41 | C42 | C43 | H43A | 74.6° | 60.0° |
| C42 | C43 | C44 | H43 | 120.0° | 119.9° |
| C42 | C43 | C44 | H43A | 120.0° | 120.0° |
| C42 | C43 | C44 | C45 | 177.4° | 180.0° |
| C43 | C42 | C41 | H41 | 24.7° | 60.1° |
| C43 | C42 | C41 | H41A | 95.3° | 60.0° |
| C43 | C42 | H42 | H42A | 118.4° | 120.0° |
| C42 | C43 | H43 | H43A | 119.1° | 120.0° |
| C42 | C43 | C44 | H44 | 62.6° | 60.0° |
| C42 | C43 | C44 | H44A | 57.4° | 60.0° |
| C43 | C44 | C45 | H44 | 120.0° | 120.0° |
| C43 | C44 | C45 | H44A | 120.0° | 120.0° |
| C43 | C44 | C45 | C46 | 114.7° | 180.0° |
| C44 | C43 | C42 | H42 | 74.6° | 60.0° |
| C44 | C43 | C42 | H42A | 45.4° | 60.0° |
| C44 | C43 | H43 | H43A | 119.1° | 120.0° |
| C43 | C44 | H44 | H44A | 119.6° | 120.0° |
| C43 | C44 | C45 | H45 | 5.3° | 60.0° |
| C43 | C44 | C45 | H45A | 125.3° | 60.0° |
| C44 | C45 | C46 | H45 | 120.0° | 120.1° |
| C44 | C45 | C46 | H45A | 120.0° | 120.0° |
| C44 | C45 | C46 | C47 | 178.5° | 180.0° |
| C45 | C44 | C43 | H43 | 57.4° | 60.0° |
| C45 | C44 | C43 | H43A | 62.6° | 60.0° |
| C45 | C44 | H44 | H44A | 119.6° | 120.0° |
| C44 | C45 | H45 | H45A | 116.0° | 120.0° |
| C44 | C45 | C46 | H46 | 58.5° | 60.0° |
| C44 | C45 | C46 | H46A | 61.5° | 60.0° |
| C45 | C46 | C47 | H46 | 120.0° | 120.0° |
| C45 | C46 | C47 | H46A | 120.0° | 120.0° |
| C45 | C46 | C47 | C48 | 136.7° | 180.0° |
| C46 | C45 | C44 | H44 | 125.3° | 60.0° |
| C46 | C45 | C44 | H44A | 5.3° | 60.0° |
| C46 | C45 | H45 | H45A | 116.0° | 120.0° |
| C45 | C46 | H46 | H46A | 120.0° | 120.0° |
| C45 | C46 | C47 | H47 | 16.7° | 60.0° |
| C45 | C46 | C47 | H47A | 103.3° | 60.0° |
| C46 | C47 | C48 | H47 | 120.0° | 120.0° |
| C46 | C47 | C48 | H47A | 120.0° | 120.0° |
| C47 | C46 | C45 | H45 | 61.5° | 60.0° |
| C47 | C46 | C45 | H45A | 58.5° | 60.0° |
| C47 | C46 | H46 | H46A | 120.1° | 120.0° |
| C46 | C47 | H47 | H47A | 116.3° | 120.0° |
| C46 | C47 | C48 | H48 | 180.0° | 60.0° |
| C46 | C47 | C48 | H48A | 60.0° | 180.0° |
| C46 | C47 | C48 | H48B | 60.0° | 60.0° |
| C48 | C47 | C46 | H46 | 103.3° | 60.0° |
| C48 | C47 | C46 | H46A | 16.7° | 60.0° |
| C48 | C47 | H47 | H47A | 116.3° | 120.0° |
| C47 | C48 | H48 | H48A | 120.0° | 120.1° |
| C47 | C48 | H48 | H48B | 120.0° | 120.0° |
| C47 | C48 | H48A | H48B | 120.0° | 120.0° |
| H1 | C1 | C2 | H2 | 36.0° | 65.0° |
| H1A | C1 | C2 | H2 | 156.0° | 55.0° |
| H2 | C2 | C3 | H3 | 49.5° | 54.9° |
| H2 | C2 | C3 | H3A | 169.5° | 64.9° |
| H4 | C4 | C5 | H5 | 126.2° | 67.1° |
| H4 | C4 | C5 | H5A | 113.8° | 52.9° |
| H4A | C4 | C5 | H5 | 6.2° | 172.9° |
| H4A | C4 | C5 | H5A | 126.2° | 67.1° |
| H6 | C6 | H6A | H6B | 120.0° | 119.9° |
| H7 | C7 | H7A | H7B | 120.0° | 119.9° |
| H8 | C8 | H8A | H8B | 120.0° | 120.0° |
| H12 | C12 | C13 | H13 | 140.9° | 180.0° |
| H12 | C12 | C13 | H13A | 20.9° | 60.0° |
| H12A | C12 | C13 | H13 | 99.2° | 60.0° |
| H12A | C12 | C13 | H13A | 140.8° | 180.0° |
| H13 | C13 | C14 | H14 | 134.1° | 180.0° |
| H13 | C13 | C14 | H14A | 105.9° | 60.0° |
| H13A | C13 | C14 | H14 | 14.1° | 60.0° |
| H13A | C13 | C14 | H14A | 134.2° | 180.0° |
| H14 | C14 | C15 | H15 | 178.2° | 180.0° |
| H14 | C14 | C15 | H15A | 58.2° | 60.0° |
| H14A | C14 | C15 | H15 | 61.8° | 60.1° |
| H14A | C14 | C15 | H15A | 178.2° | 179.9° |
| H15 | C15 | C16 | H16 | 157.0° | 180.0° |
| H15 | C15 | C16 | H16A | 83.0° | 60.0° |
| H15A | C15 | C16 | H16 | 37.0° | 60.0° |
| H15A | C15 | C16 | H16A | 157.0° | 179.9° |
| H16 | C16 | C17 | H17 | 147.2° | 180.0° |
| H16 | C16 | C17 | H17A | 92.8° | 60.0° |
| H16A | C16 | C17 | H17 | 27.3° | 60.0° |
| H16A | C16 | C17 | H17A | 147.2° | 180.0° |
| H17 | C17 | C18 | H18 | 127.4° | 180.0° |
| H17 | C17 | C18 | H18A | 112.6° | 60.0° |
| H17A | C17 | C18 | H18 | 7.4° | 60.0° |
| H17A | C17 | C18 | H18A | 127.4° | 180.0° |
| H18 | C18 | C19 | H19 | 178.3° | 180.0° |
| H18 | C18 | C19 | H19A | 58.4° | 60.0° |
| H18A | C18 | C19 | H19 | 61.7° | 60.0° |
| H18A | C18 | C19 | H19A | 178.4° | 180.0° |
| H19 | C19 | C20 | H20 | 90.1° | 180.0° |
| H19 | C19 | C20 | H20A | 149.9° | 60.0° |
| H19A | C19 | C20 | H20 | 29.9° | 60.0° |
| H19A | C19 | C20 | H20A | 90.2° | 180.0° |
| H20 | C20 | C21 | H21 | 146.5° | 180.0° |
| H20 | C20 | C21 | H21A | 26.5° | 60.0° |
| H20A | C20 | C21 | H21 | 93.5° | 60.0° |
| H20A | C20 | C21 | H21A | 146.5° | 179.9° |
| H21 | C21 | C22 | H22 | 149.2° | 180.0° |
| H21 | C21 | C22 | H22A | 90.8° | 60.0° |
| H21A | C21 | C22 | H22 | 29.2° | 60.0° |
| H21A | C21 | C22 | H22A | 149.2° | 179.9° |
| H22 | C22 | C23 | H23 | 58.4° | 180.0° |
| H22 | C22 | C23 | H23A | 61.6° | 60.0° |
| H22A | C22 | C23 | H23 | 178.5° | 60.0° |
| H22A | C22 | C23 | H23A | 58.4° | 180.0° |
| H23 | C23 | C24 | H24 | 147.7° | 180.0° |
| H23 | C23 | C24 | H24A | 27.7° | 60.0° |
| H23A | C23 | C24 | H24 | 92.3° | 60.0° |
| H23A | C23 | C24 | H24A | 147.8° | 180.0° |
| H24 | C24 | C25 | H25 | 160.2° | 180.0° |
| H24 | C24 | C25 | H25A | 40.2° | 60.0° |
| H24A | C24 | C25 | H25 | 79.8° | 60.0° |
| H24A | C24 | C25 | H25A | 160.1° | 180.0° |
| H25 | C25 | C26 | H26 | 99.4° | 180.0° |
| H25 | C25 | C26 | H26A | 20.6° | 60.0° |
| H25A | C25 | C26 | H26 | 140.6° | 60.0° |
| H25A | C25 | C26 | H26A | 99.4° | 179.9° |
| H26 | C26 | C27 | H27 | 153.8° | NaN° |
| H26 | C26 | C27 | H27A | 86.2° | 60.0° |
| H26A | C26 | C27 | H27 | 33.8° | 60.0° |
| H26A | C26 | C27 | H27A | 153.8° | 180.0° |
| H27 | C27 | C28 | H28 | 60.0° | 60.0° |
| H27 | C27 | C28 | H28A | 180.0° | 60.0° |
| H27 | C27 | C28 | H28B | 60.0° | 180.0° |
| H27A | C27 | C28 | H28 | 60.0° | 179.9° |
| H27A | C27 | C28 | H28A | 60.0° | 60.1° |
| H27A | C27 | C28 | H28B | 180.0° | 60.0° |
| H28 | C28 | H28A | H28B | 120.0° | 120.0° |
| H32 | C32 | C33 | H33 | 150.9° | 180.0° |
| H32 | C32 | C33 | H33A | 30.9° | 60.0° |
| H32A | C32 | C33 | H33 | 89.2° | 60.0° |
| H32A | C32 | C33 | H33A | 150.8° | 180.0° |
| H33 | C33 | C34 | H34 | 105.6° | 180.0° |
| H33 | C33 | C34 | H34A | 14.4° | 60.0° |
| H33A | C33 | C34 | H34 | 134.4° | 60.0° |
| H33A | C33 | C34 | H34A | 105.6° | 180.0° |
| H34 | C34 | C35 | H35 | 156.4° | 179.9° |
| H34 | C34 | C35 | H35A | 83.6° | 60.0° |
| H34A | C34 | C35 | H35 | 36.4° | 60.0° |
| H34A | C34 | C35 | H35A | 156.4° | 180.0° |
| H35 | C35 | C36 | H36 | 158.4° | 179.9° |
| H35 | C35 | C36 | H36A | 81.6° | 60.1° |
| H35A | C35 | C36 | H36 | 38.4° | 60.0° |
| H35A | C35 | C36 | H36A | 158.3° | 180.0° |
| H36 | C36 | C37 | H37 | 57.3° | 179.9° |
| H36 | C36 | C37 | H37A | 177.3° | 59.9° |
| H36A | C36 | C37 | H37 | 62.7° | 60.0° |
| H36A | C36 | C37 | H37A | 57.3° | 180.0° |
| H37 | C37 | C38 | H38 | 179.3° | 180.0° |
| H37 | C37 | C38 | H38A | 59.3° | 60.0° |
| H37A | C37 | C38 | H38 | 60.7° | 60.1° |
| H37A | C37 | C38 | H38A | 179.3° | 180.0° |
| H38 | C38 | C39 | H39 | 173.7° | 172.6° |
| H38A | C38 | C39 | H39 | 53.7° | 67.5° |
| H39 | C39 | C40 | H40 | 4.2° | 7.5° |
| H40 | C40 | C41 | H41 | 127.4° | 66.2° |
| H40 | C40 | C41 | H41A | 112.6° | 173.8° |
| H41 | C41 | C42 | H42 | 144.7° | NaN° |
| H41 | C41 | C42 | H42A | 95.3° | 59.9° |
| H41A | C41 | C42 | H42 | 24.7° | 60.0° |
| H41A | C41 | C42 | H42A | 144.7° | 180.0° |
| H42 | C42 | C43 | H43 | 165.4° | 180.0° |
| H42 | C42 | C43 | H43A | 45.4° | 60.0° |
| H42A | C42 | C43 | H43 | 74.6° | 60.0° |
| H42A | C42 | C43 | H43A | 165.4° | 180.0° |
| H43 | C43 | C44 | H44 | 177.4° | 180.0° |
| H43 | C43 | C44 | H44A | 62.6° | 59.9° |
| H43A | C43 | C44 | H44 | 57.4° | 60.0° |
| H43A | C43 | C44 | H44A | 177.4° | 180.0° |
| H44 | C44 | C45 | H45 | 114.7° | 179.9° |
| H44 | C44 | C45 | H45A | 5.3° | 60.0° |
| H44A | C44 | C45 | H45 | 125.3° | 60.0° |
| H44A | C44 | C45 | H45A | 114.7° | NaN° |
| H45 | C45 | C46 | H46 | 178.5° | 180.0° |
| H45 | C45 | C46 | H46A | 58.5° | 60.1° |
| H45A | C45 | C46 | H46 | 61.5° | 60.0° |
| H45A | C45 | C46 | H46A | 178.5° | 180.0° |
| H46 | C46 | C47 | H47 | 136.7° | 179.9° |
| H46 | C46 | C47 | H47A | 16.7° | 60.0° |
| H46A | C46 | C47 | H47 | 103.3° | 60.0° |
| H46A | C46 | C47 | H47A | 136.7° | 180.0° |
| H47 | C47 | C48 | H48 | 60.0° | 60.1° |
| H47 | C47 | C48 | H48A | 180.0° | 60.0° |
| H47 | C47 | C48 | H48B | 60.0° | 179.9° |
| H47A | C47 | C48 | H48 | 60.0° | 180.0° |
| H47A | C47 | C48 | H48A | 60.0° | 60.0° |
| H47A | C47 | C48 | H48B | 180.0° | 60.0° |
| H48 | C48 | H48A | H48B | 120.0° | 120.0° |
