A1H4A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | C13 | sing | 1.43Å | 1.44Å | |
| O12 | C11 | sing | 1.43Å | 1.44Å | |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| C11 | C10 | sing | 1.53Å | 1.55Å | |
| C14 | N9 | sing | 1.47Å | 1.48Å | |
| C10 | N9 | sing | 1.47Å | 1.48Å | |
| N9 | C8 | sing | 1.47Å | 1.49Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C7 | N6 | sing | 1.47Å | 1.45Å | |
| N6 | C5 | sing | 1.35Å | 1.34Å | |
| O15 | C5 | doub | 1.21Å | 1.22Å | |
| C5 | C4 | sing | 1.51Å | 1.52Å | |
| O27 | S19 | doub | 1.42Å | 1.44Å | |
| C16 | C4 | sing | 1.56Å | 1.55Å | |
| C16 | C17 | sing | 1.56Å | 1.55Å | |
| C4 | N3 | sing | 1.42Å | 1.47Å | |
| C17 | N18 | sing | 1.42Å | 1.48Å | |
| S19 | O20 | doub | 1.42Å | 1.45Å | |
| S19 | N18 | sing | 1.66Å | 1.70Å | |
| S19 | C21 | sing | 1.76Å | 1.77Å | |
| N3 | C29 | sing | 1.49Å | 1.47Å | |
| N3 | C2 | sing | 1.35Å | 1.37Å | |
| N18 | C28 | sing | 1.49Å | 1.48Å | |
| C29 | C28 | sing | 1.46Å | 1.56Å | |
| O1 | C2 | doub | 1.22Å | 1.23Å | |
| C2 | C30 | sing | 1.48Å | 1.47Å | |
| C21 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | C31 | doub | 1.36Å | 1.34Å | Aromatic |
| C30 | N61 | sing | 1.35Å | 1.43Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C31 | N32 | sing | 1.36Å | 1.31Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| N61 | C60 | doub | 1.32Å | 1.25Å | Aromatic |
| F58 | C55 | sing | 1.40Å | 1.34Å | |
| N32 | C60 | sing | 1.37Å | 1.30Å | Aromatic |
| N32 | C33 | sing | 1.36Å | 1.31Å | Aromatic |
| C60 | C39 | sing | 1.47Å | 1.47Å | Aromatic |
| F56 | C55 | sing | 1.40Å | 1.35Å | |
| C55 | C54 | sing | 1.51Å | 1.53Å | |
| C55 | F57 | sing | 1.40Å | 1.36Å | |
| C33 | C34 | doub | 1.37Å | 1.35Å | Aromatic |
| C59 | C54 | doub | 1.38Å | 1.39Å | Aromatic |
| C59 | C40 | sing | 1.40Å | 1.40Å | Aromatic |
| C54 | C43 | sing | 1.38Å | 1.40Å | Aromatic |
| C39 | C40 | sing | 1.48Å | 1.51Å | |
| C39 | C38 | doub | 1.37Å | 1.34Å | Aromatic |
| C40 | C41 | doub | 1.39Å | 1.40Å | Aromatic |
| C43 | C44 | sing | 1.51Å | 1.51Å | |
| C43 | C42 | doub | 1.38Å | 1.40Å | Aromatic |
| C34 | C38 | sing | 1.41Å | 1.48Å | Aromatic |
| C34 | C35 | sing | 1.47Å | 1.46Å | |
| C41 | C42 | sing | 1.38Å | 1.39Å | Aromatic |
| O37 | C35 | doub | 1.22Å | 1.23Å | |
| C35 | O36 | sing | 1.35Å | 1.33Å | |
| C41 | H1 | sing | 1.08Å | 1.08Å | |
| C42 | H2 | sing | 1.08Å | 1.08Å | |
| C44 | H3 | sing | 1.09Å | 1.10Å | |
| C44 | H4 | sing | 1.09Å | 1.10Å | |
| C44 | H5 | sing | 1.09Å | 1.10Å | |
| C59 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.08Å | 1.08Å | |
| C23 | H18 | sing | 1.08Å | 1.08Å | |
| C24 | H19 | sing | 1.08Å | 1.08Å | |
| C25 | H20 | sing | 1.08Å | 1.08Å | |
| C26 | H21 | sing | 1.08Å | 1.08Å | |
| C28 | H22 | sing | 1.09Å | 1.10Å | |
| C28 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C4 | H26 | sing | 1.09Å | 1.10Å | |
| N6 | H27 | sing | 0.97Å | 1.00Å | |
| C7 | H28 | sing | 1.09Å | 1.10Å | |
| C7 | H29 | sing | 1.09Å | 1.10Å | |
| C8 | H30 | sing | 1.09Å | 1.10Å | |
| C8 | H31 | sing | 1.09Å | 1.10Å | |
| C10 | H33 | sing | 1.09Å | 1.10Å | |
| C10 | H34 | sing | 1.09Å | 1.10Å | |
| C31 | H35 | sing | 1.08Å | 1.08Å | |
| C33 | H36 | sing | 1.08Å | 1.08Å | |
| O36 | H37 | sing | 0.97Å | 0.95Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | O12 | C11 | 111.7° | 113.7° |
| O12 | C13 | C14 | 111.6° | 109.3° |
| O12 | C13 | H9 | 109.0° | 109.5° |
| O12 | C13 | H10 | 108.9° | 109.5° |
| O12 | C11 | C10 | 110.2° | 109.3° |
| O12 | C11 | H7 | 109.3° | 109.5° |
| O12 | C11 | H8 | 109.3° | 109.5° |
| C13 | C14 | N9 | 111.4° | 109.3° |
| C14 | C13 | H9 | 108.9° | 109.5° |
| C14 | C13 | H10 | 108.9° | 109.5° |
| C13 | C14 | H11 | 109.0° | 109.5° |
| C13 | C14 | H12 | 109.0° | 109.6° |
| C11 | C10 | N9 | 110.3° | 109.3° |
| C10 | C11 | H7 | 109.3° | 109.5° |
| C10 | C11 | H8 | 109.3° | 109.5° |
| C11 | C10 | H33 | 109.2° | 109.5° |
| C11 | C10 | H34 | 109.3° | 109.5° |
| C14 | N9 | C10 | 112.4° | 110.7° |
| C14 | N9 | C8 | 112.4° | 111.1° |
| N9 | C14 | H11 | 109.0° | 109.4° |
| N9 | C14 | H12 | 109.0° | 109.5° |
| C10 | N9 | C8 | 113.3° | 111.0° |
| N9 | C10 | H33 | 109.3° | 109.5° |
| N9 | C10 | H34 | 109.2° | 109.5° |
| N9 | C8 | C7 | 109.3° | 109.5° |
| N9 | C8 | H30 | 109.5° | 109.5° |
| N9 | C8 | H31 | 109.5° | 109.4° |
| C8 | C7 | N6 | 110.1° | 109.5° |
| C8 | C7 | H28 | 109.3° | 109.5° |
| C8 | C7 | H29 | 109.3° | 109.5° |
| C7 | C8 | H30 | 109.5° | 109.5° |
| C7 | C8 | H31 | 109.5° | 109.5° |
| C7 | N6 | C5 | 116.2° | 120.0° |
| C7 | N6 | H27 | 121.9° | 120.0° |
| N6 | C7 | H28 | 109.3° | 109.4° |
| N6 | C7 | H29 | 109.3° | 109.5° |
| N6 | C5 | O15 | 120.6° | 120.0° |
| N6 | C5 | C4 | 120.5° | 120.0° |
| C5 | N6 | H27 | 121.9° | 120.0° |
| O15 | C5 | C4 | 118.9° | 120.0° |
| C5 | C4 | C16 | 115.6° | 108.4° |
| C5 | C4 | N3 | 110.5° | 108.4° |
| C5 | C4 | H26 | 106.0° | 108.3° |
| O27 | S19 | O20 | 118.1° | 123.2° |
| O27 | S19 | N18 | 108.9° | 106.4° |
| O27 | S19 | C21 | 109.7° | 106.4° |
| C4 | C16 | C17 | 114.2° | 107.3° |
| C16 | C4 | N3 | 111.9° | 114.6° |
| C4 | C16 | H13 | 108.3° | 109.9° |
| C4 | C16 | H14 | 108.3° | 109.9° |
| C16 | C4 | H26 | 105.7° | 108.5° |
| C16 | C17 | N18 | 107.2° | 114.7° |
| C17 | C16 | H13 | 108.3° | 109.9° |
| C17 | C16 | H14 | 108.3° | 109.9° |
| C16 | C17 | H15 | 110.0° | 108.4° |
| C16 | C17 | H16 | 110.0° | 108.5° |
| C4 | N3 | C29 | 121.7° | 117.1° |
| C4 | N3 | C2 | 116.6° | 121.5° |
| N3 | C4 | H26 | 106.5° | 108.4° |
| C17 | N18 | S19 | 120.3° | 121.5° |
| C17 | N18 | C28 | 120.6° | 117.1° |
| N18 | C17 | H15 | 110.0° | 108.4° |
| N18 | C17 | H16 | 110.0° | 108.4° |
| O20 | S19 | N18 | 112.2° | 106.4° |
| O20 | S19 | C21 | 105.9° | 106.4° |
| N18 | S19 | C21 | 100.5° | 107.2° |
| S19 | N18 | C28 | 119.1° | 121.5° |
| S19 | C21 | C22 | 122.7° | 120.0° |
| S19 | C21 | C26 | 117.8° | 120.0° |
| C29 | N3 | C2 | 121.4° | 121.5° |
| N3 | C29 | C28 | 111.1° | 109.6° |
| N3 | C29 | H24 | 109.0° | 109.4° |
| N3 | C29 | H25 | 109.1° | 109.4° |
| N3 | C2 | O1 | 122.9° | 120.0° |
| N3 | C2 | C30 | 126.4° | 120.0° |
| N18 | C28 | C29 | 111.1° | 109.7° |
| N18 | C28 | H22 | 109.1° | 109.4° |
| N18 | C28 | H23 | 109.0° | 109.4° |
| C29 | C28 | H22 | 109.1° | 109.5° |
| C29 | C28 | H23 | 109.1° | 109.5° |
| C28 | C29 | H24 | 109.1° | 109.4° |
| C28 | C29 | H25 | 109.1° | 109.5° |
| O1 | C2 | C30 | 110.7° | 120.0° |
| C2 | C30 | C31 | 125.9° | 126.0° |
| C2 | C30 | N61 | 131.7° | 125.9° |
| C22 | C21 | C26 | 119.5° | 120.0° |
| C21 | C22 | C23 | 119.8° | 120.0° |
| C21 | C22 | H17 | 120.1° | 120.1° |
| C21 | C26 | C25 | 120.1° | 120.0° |
| C21 | C26 | H21 | 120.0° | 120.0° |
| C22 | C23 | C24 | 121.0° | 120.0° |
| C23 | C22 | H17 | 120.1° | 119.9° |
| C22 | C23 | H18 | 119.5° | 120.0° |
| C26 | C25 | C24 | 120.9° | 120.0° |
| C26 | C25 | H20 | 119.5° | 119.9° |
| C25 | C26 | H21 | 119.9° | 120.0° |
| C31 | C30 | N61 | 102.4° | 108.1° |
| C30 | C31 | N32 | 108.8° | 107.1° |
| C30 | C31 | H35 | 125.6° | 126.4° |
| C30 | N61 | C60 | 109.4° | 109.1° |
| C23 | C24 | C25 | 118.6° | 120.0° |
| C24 | C23 | H18 | 119.5° | 120.0° |
| C23 | C24 | H19 | 120.7° | 120.0° |
| C31 | N32 | C60 | 110.1° | 107.2° |
| C31 | N32 | C33 | 126.1° | 132.3° |
| N32 | C31 | H35 | 125.6° | 126.5° |
| C25 | C24 | H19 | 120.7° | 120.0° |
| C24 | C25 | H20 | 119.6° | 120.1° |
| N61 | C60 | N32 | 109.4° | 108.5° |
| N61 | C60 | C39 | 128.9° | 132.1° |
| F58 | C55 | F56 | 106.5° | 109.5° |
| F58 | C55 | C54 | 109.3° | 109.5° |
| F58 | C55 | F57 | 108.4° | 109.5° |
| C60 | N32 | C33 | 123.8° | 120.5° |
| N32 | C60 | C39 | 121.7° | 119.4° |
| N32 | C33 | C34 | 119.4° | 121.2° |
| N32 | C33 | H36 | 120.3° | 119.3° |
| C60 | C39 | C40 | 121.5° | 120.5° |
| C60 | C39 | C38 | 116.0° | 118.8° |
| F56 | C55 | C54 | 110.2° | 109.4° |
| F56 | C55 | F57 | 109.3° | 109.5° |
| C54 | C55 | F57 | 112.9° | 109.5° |
| C55 | C54 | C59 | 119.0° | 119.9° |
| C55 | C54 | C43 | 122.0° | 120.0° |
| C33 | C34 | C38 | 120.4° | 120.6° |
| C33 | C34 | C35 | 120.8° | 119.7° |
| C34 | C33 | H36 | 120.3° | 119.4° |
| C54 | C59 | C40 | 121.5° | 119.9° |
| C59 | C54 | C43 | 118.9° | 120.1° |
| C54 | C59 | H6 | 119.3° | 120.1° |
| C59 | C40 | C39 | 121.6° | 120.2° |
| C59 | C40 | C41 | 119.2° | 119.7° |
| C40 | C59 | H6 | 119.3° | 120.1° |
| C54 | C43 | C44 | 122.2° | 119.9° |
| C54 | C43 | C42 | 119.9° | 120.3° |
| C40 | C39 | C38 | 122.5° | 120.6° |
| C39 | C40 | C41 | 119.2° | 120.1° |
| C39 | C38 | C34 | 118.7° | 119.4° |
| C39 | C38 | H38 | 120.7° | 120.3° |
| C40 | C41 | C42 | 119.9° | 119.9° |
| C40 | C41 | H1 | 120.1° | 120.0° |
| C44 | C43 | C42 | 117.7° | 119.9° |
| C43 | C44 | H3 | 109.5° | 109.5° |
| C43 | C44 | H4 | 109.4° | 109.5° |
| C43 | C44 | H5 | 109.5° | 109.5° |
| C43 | C42 | C41 | 120.6° | 120.2° |
| C43 | C42 | H2 | 119.7° | 119.9° |
| C38 | C34 | C35 | 118.7° | 119.7° |
| C34 | C38 | H38 | 120.7° | 120.2° |
| C34 | C35 | O37 | 119.9° | 120.0° |
| C34 | C35 | O36 | 117.2° | 120.0° |
| C42 | C41 | H1 | 120.1° | 120.1° |
| C41 | C42 | H2 | 119.7° | 119.9° |
| O37 | C35 | O36 | 122.8° | 120.0° |
| C35 | O36 | H37 | 109.5° | 117.0° |
| H3 | C44 | H4 | 109.5° | 109.5° |
| H3 | C44 | H5 | 109.5° | 109.5° |
| H4 | C44 | H5 | 109.5° | 109.5° |
| H7 | C11 | H8 | 109.5° | 109.5° |
| H9 | C13 | H10 | 109.5° | 109.4° |
| H11 | C14 | H12 | 109.4° | 109.5° |
| H13 | C16 | H14 | 109.5° | 109.9° |
| H15 | C17 | H16 | 109.5° | 108.2° |
| H22 | C28 | H23 | 109.5° | 109.4° |
| H24 | C29 | H25 | 109.4° | 109.5° |
| H28 | C7 | H29 | 109.5° | 109.5° |
| H30 | C8 | H31 | 109.5° | 109.5° |
| H33 | C10 | H34 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | C13 | C14 | H9 | 120.3° | 120.0° |
| O12 | C13 | C14 | H10 | 120.3° | 120.0° |
| C13 | O12 | C11 | C10 | 60.4° | 58.6° |
| O12 | C13 | C14 | N9 | 51.6° | 56.9° |
| C13 | O12 | C11 | H7 | 179.5° | 61.3° |
| C13 | O12 | C11 | H8 | 59.7° | 178.6° |
| O12 | C13 | H9 | H10 | 119.0° | 120.1° |
| O12 | C13 | C14 | H11 | 171.9° | 176.7° |
| O12 | C13 | C14 | H12 | 68.7° | 63.1° |
| C11 | O12 | C13 | C14 | 57.5° | 58.6° |
| O12 | C11 | C10 | H7 | 120.1° | 119.9° |
| O12 | C11 | C10 | H8 | 120.1° | 120.0° |
| O12 | C11 | C10 | N9 | 57.7° | 56.8° |
| O12 | C11 | H7 | H8 | 119.7° | 120.1° |
| C11 | O12 | C13 | H9 | 62.8° | 178.6° |
| C11 | O12 | C13 | H10 | 177.8° | 61.3° |
| O12 | C11 | C10 | H33 | 62.4° | 63.1° |
| O12 | C11 | C10 | H34 | 177.8° | 176.8° |
| C13 | C14 | N9 | H11 | 120.3° | 119.9° |
| C13 | C14 | N9 | H12 | 120.3° | 120.0° |
| C13 | C14 | N9 | C10 | 50.3° | 58.6° |
| C13 | C14 | N9 | C8 | 179.5° | 177.6° |
| C14 | C13 | H9 | H10 | 119.0° | 120.1° |
| C13 | C14 | H11 | H12 | 119.1° | 120.2° |
| C11 | C10 | N9 | C14 | 53.2° | 58.6° |
| C11 | C10 | N9 | H33 | 120.1° | 120.0° |
| C11 | C10 | N9 | H34 | 120.1° | 120.0° |
| C11 | C10 | N9 | C8 | 178.0° | 177.6° |
| C10 | C11 | H7 | H8 | 119.6° | 120.1° |
| C11 | C10 | H33 | H34 | 119.6° | 120.1° |
| C14 | N9 | C10 | C8 | 128.8° | 123.8° |
| C14 | N9 | C8 | C7 | 171.2° | 170.0° |
| N9 | C14 | C13 | H9 | 68.8° | 176.8° |
| N9 | C14 | C13 | H10 | 171.9° | 63.1° |
| N9 | C14 | H11 | H12 | 119.1° | 120.0° |
| C14 | N9 | C8 | H30 | 51.3° | 70.0° |
| C14 | N9 | C8 | H31 | 68.8° | 50.0° |
| C14 | N9 | C10 | H33 | 66.9° | 61.4° |
| C14 | N9 | C10 | H34 | 173.3° | 178.5° |
| C10 | N9 | C8 | C7 | 60.0° | 66.4° |
| N9 | C10 | C11 | H7 | 177.8° | 63.1° |
| N9 | C10 | C11 | H8 | 62.4° | 176.8° |
| C10 | N9 | C14 | H11 | 170.5° | 178.5° |
| C10 | N9 | C14 | H12 | 70.1° | 61.4° |
| C10 | N9 | C8 | H30 | 179.9° | 53.7° |
| C10 | N9 | C8 | H31 | 60.0° | 173.6° |
| N9 | C10 | H33 | H34 | 119.6° | 120.1° |
| N9 | C8 | C7 | H30 | 120.0° | 120.0° |
| N9 | C8 | C7 | H31 | 120.0° | 120.0° |
| N9 | C8 | C7 | N6 | 151.3° | 180.0° |
| C8 | N9 | C14 | H11 | 60.2° | 57.7° |
| C8 | N9 | C14 | H12 | 59.2° | 62.4° |
| N9 | C8 | C7 | H28 | 88.6° | 60.0° |
| N9 | C8 | C7 | H29 | 31.2° | 60.0° |
| N9 | C8 | H30 | H31 | 120.1° | 120.0° |
| C8 | N9 | C10 | H33 | 61.9° | 62.5° |
| C8 | N9 | C10 | H34 | 57.9° | 57.6° |
| C8 | C7 | N6 | H28 | 120.1° | 120.0° |
| C8 | C7 | N6 | H29 | 120.1° | 120.0° |
| C8 | C7 | N6 | C5 | 148.1° | 180.0° |
| C8 | C7 | N6 | H27 | 31.9° | 0.0° |
| C8 | C7 | H28 | H29 | 119.7° | 120.0° |
| C7 | C8 | H30 | H31 | 120.1° | 120.0° |
| C7 | N6 | C5 | H27 | 180.0° | 179.9° |
| C7 | N6 | C5 | O15 | 0.1° | 0.0° |
| C7 | N6 | C5 | C4 | 179.2° | 180.0° |
| N6 | C7 | H28 | H29 | 119.7° | 120.0° |
| N6 | C7 | C8 | H30 | 31.3° | 60.0° |
| N6 | C7 | C8 | H31 | 88.7° | 60.0° |
| N6 | C5 | O15 | C4 | 179.1° | 180.0° |
| N6 | C5 | C4 | C16 | 75.4° | 37.1° |
| N6 | C5 | C4 | N3 | 156.3° | 162.1° |
| N6 | C5 | C4 | H26 | 41.3° | 80.4° |
| C5 | N6 | C7 | H28 | 28.0° | 60.0° |
| C5 | N6 | C7 | H29 | 91.8° | 60.0° |
| O15 | C5 | C4 | C16 | 105.5° | 143.0° |
| O15 | C5 | C4 | N3 | 22.8° | 17.9° |
| O15 | C5 | C4 | H26 | 137.8° | 99.5° |
| O15 | C5 | N6 | H27 | 179.9° | 180.0° |
| C5 | C4 | C16 | N3 | 127.6° | 121.3° |
| C5 | C4 | C16 | H26 | 116.9° | 117.4° |
| C5 | C4 | C16 | C17 | 178.9° | 159.3° |
| C5 | C4 | N3 | H26 | 114.7° | 117.4° |
| C5 | C4 | N3 | C29 | 99.5° | 142.6° |
| C5 | C4 | N3 | C2 | 74.4° | 37.4° |
| C5 | C4 | C16 | H13 | 58.3° | 81.3° |
| C5 | C4 | C16 | H14 | 60.4° | 39.8° |
| C4 | C5 | N6 | H27 | 0.8° | 0.0° |
| O27 | S19 | N18 | C17 | 22.4° | 156.5° |
| O27 | S19 | O20 | N18 | 128.0° | 123.0° |
| O27 | S19 | O20 | C21 | 123.3° | 122.9° |
| O27 | S19 | N18 | C21 | 115.2° | 113.5° |
| O27 | S19 | N18 | C28 | 154.5° | 23.5° |
| O27 | S19 | C21 | C22 | 57.6° | 23.5° |
| O27 | S19 | C21 | C26 | 121.6° | 156.2° |
| C4 | C16 | C17 | H13 | 120.7° | 119.4° |
| C4 | C16 | C17 | H14 | 120.7° | 119.5° |
| C16 | C4 | N3 | H26 | 115.0° | 121.3° |
| C4 | C16 | C17 | N18 | 89.8° | 37.9° |
| C16 | C4 | N3 | C29 | 30.7° | 96.1° |
| C16 | C4 | N3 | C2 | 155.3° | 83.9° |
| C4 | C16 | H13 | H14 | 117.9° | 121.1° |
| C4 | C16 | C17 | H15 | 150.6° | 83.4° |
| C4 | C16 | C17 | H16 | 29.9° | 159.3° |
| C17 | C16 | C4 | N3 | 51.4° | 38.0° |
| C16 | C17 | N18 | H15 | 119.6° | 121.3° |
| C16 | C17 | N18 | H16 | 119.6° | 121.4° |
| C16 | C17 | N18 | S19 | 103.0° | 83.9° |
| C16 | C17 | N18 | C28 | 73.9° | 96.0° |
| C17 | C16 | H13 | H14 | 117.8° | 121.1° |
| C16 | C17 | H15 | H16 | 121.0° | 117.5° |
| C17 | C16 | C4 | H26 | 64.2° | 83.3° |
| C4 | N3 | C29 | C2 | 173.7° | 180.0° |
| C4 | N3 | C29 | C28 | 86.1° | 80.4° |
| C4 | N3 | C2 | O1 | 4.1° | 4.7° |
| C4 | N3 | C2 | C30 | 178.6° | 175.6° |
| N3 | C4 | C16 | H13 | 69.3° | 157.4° |
| N3 | C4 | C16 | H14 | 172.1° | 81.5° |
| C4 | N3 | C29 | H24 | 153.6° | 159.5° |
| C4 | N3 | C29 | H25 | 34.2° | 39.6° |
| C17 | N18 | S19 | O20 | 155.1° | 23.5° |
| C17 | N18 | S19 | C28 | 177.0° | 179.9° |
| C17 | N18 | S19 | C21 | 92.7° | 90.0° |
| C17 | N18 | C28 | C29 | 60.4° | 80.4° |
| N18 | C17 | C16 | H13 | 30.9° | 81.5° |
| N18 | C17 | C16 | H14 | 149.5° | 157.4° |
| N18 | C17 | H15 | H16 | 121.1° | 117.4° |
| C17 | N18 | C28 | H22 | 179.4° | 159.5° |
| C17 | N18 | C28 | H23 | 59.9° | 39.7° |
| O20 | S19 | N18 | C21 | 112.1° | 113.5° |
| O20 | S19 | N18 | C28 | 21.8° | 156.5° |
| O20 | S19 | C21 | C22 | 173.9° | 156.5° |
| O20 | S19 | C21 | C26 | 6.9° | 23.3° |
| S19 | N18 | C28 | C29 | 116.6° | 99.6° |
| N18 | S19 | C21 | C22 | 57.0° | 90.0° |
| N18 | S19 | C21 | C26 | 123.8° | 90.3° |
| S19 | N18 | C17 | H15 | 16.6° | 154.8° |
| S19 | N18 | C17 | H16 | 137.4° | 37.5° |
| S19 | N18 | C28 | H22 | 3.7° | 20.5° |
| S19 | N18 | C28 | H23 | 123.2° | 140.3° |
| C21 | S19 | N18 | C28 | 90.3° | 90.0° |
| S19 | C21 | C22 | C26 | 179.1° | 179.8° |
| S19 | C21 | C22 | C23 | 179.9° | 179.7° |
| S19 | C21 | C26 | C25 | 179.9° | 179.7° |
| S19 | C21 | C22 | H17 | 0.1° | 0.3° |
| S19 | C21 | C26 | H21 | 0.1° | 0.3° |
| N3 | C29 | C28 | N18 | 72.3° | 53.9° |
| N3 | C29 | C28 | H24 | 120.2° | 120.0° |
| N3 | C29 | C28 | H25 | 120.3° | 120.0° |
| C29 | N3 | C2 | O1 | 178.0° | 175.2° |
| C29 | N3 | C2 | C30 | 4.6° | 4.4° |
| N3 | C29 | C28 | H22 | 167.4° | 174.0° |
| N3 | C29 | C28 | H23 | 47.9° | 66.1° |
| N3 | C29 | H24 | H25 | 119.2° | 119.9° |
| C29 | N3 | C4 | H26 | 145.8° | 25.2° |
| C2 | N3 | C29 | C28 | 100.2° | 99.6° |
| N3 | C2 | O1 | C30 | 177.7° | 179.6° |
| N3 | C2 | C30 | C31 | 160.3° | 173.9° |
| N3 | C2 | C30 | N61 | 21.0° | 6.2° |
| C2 | N3 | C29 | H24 | 20.0° | 20.5° |
| C2 | N3 | C29 | H25 | 139.5° | 140.4° |
| C2 | N3 | C4 | H26 | 40.3° | 154.8° |
| N18 | C28 | C29 | H22 | 120.2° | 120.1° |
| N18 | C28 | C29 | H23 | 120.2° | 120.1° |
| C28 | N18 | C17 | H15 | 166.5° | 25.3° |
| C28 | N18 | C17 | H16 | 45.7° | 142.6° |
| N18 | C28 | H22 | H23 | 119.3° | 119.9° |
| N18 | C28 | C29 | H24 | 167.4° | 174.0° |
| N18 | C28 | C29 | H25 | 47.9° | 66.0° |
| C29 | C28 | H22 | H23 | 119.3° | 119.9° |
| C28 | C29 | H24 | H25 | 119.2° | 120.0° |
| O1 | C2 | C30 | C31 | 22.1° | 6.4° |
| O1 | C2 | C30 | N61 | 156.6° | 173.4° |
| C2 | C30 | C31 | N61 | 179.0° | 179.9° |
| C2 | C30 | C31 | N32 | 178.3° | 180.0° |
| C2 | C30 | N61 | C60 | 178.9° | 179.9° |
| C2 | C30 | C31 | H35 | 1.7° | 0.1° |
| C21 | C22 | C23 | H17 | 180.0° | 180.0° |
| C22 | C21 | C26 | C25 | 0.8° | 0.1° |
| C21 | C22 | C23 | C24 | 1.2° | 0.0° |
| C21 | C22 | C23 | H18 | 178.8° | 180.0° |
| C22 | C21 | C26 | H21 | 179.2° | 180.0° |
| C26 | C21 | C22 | C23 | 0.7° | 0.0° |
| C21 | C26 | C25 | H21 | 180.0° | 179.9° |
| C21 | C26 | C25 | C24 | 1.1° | 0.1° |
| C26 | C21 | C22 | H17 | 179.2° | 180.0° |
| C21 | C26 | C25 | H20 | 178.9° | 180.0° |
| C22 | C23 | C24 | H18 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 3.1° | 0.0° |
| C22 | C23 | C24 | H19 | 177.0° | 180.0° |
| C26 | C25 | C24 | C23 | 3.1° | 0.0° |
| C26 | C25 | C24 | H20 | 180.0° | 179.9° |
| C26 | C25 | C24 | H19 | 177.0° | 179.9° |
| C30 | C31 | N32 | H35 | 180.0° | 179.9° |
| C31 | C30 | N61 | C60 | 0.0° | 0.2° |
| C30 | C31 | N32 | C60 | 1.1° | 0.1° |
| C30 | C31 | N32 | C33 | 178.7° | 179.9° |
| N61 | C30 | C31 | N32 | 0.7° | 0.1° |
| C30 | N61 | C60 | N32 | 0.6° | 0.3° |
| C30 | N61 | C60 | C39 | 179.1° | 180.0° |
| N61 | C30 | C31 | H35 | 179.3° | 180.0° |
| C23 | C24 | C25 | H19 | 180.0° | 180.0° |
| C24 | C23 | C22 | H17 | 178.8° | 180.0° |
| C23 | C24 | C25 | H20 | 177.0° | 180.0° |
| C31 | N32 | C60 | N61 | 1.1° | 0.3° |
| C31 | N32 | C60 | C33 | 177.7° | 180.0° |
| C31 | N32 | C60 | C39 | 178.6° | 180.0° |
| C31 | N32 | C33 | C34 | 177.0° | 180.0° |
| C31 | N32 | C33 | H36 | 3.0° | 0.1° |
| C25 | C24 | C23 | H18 | 176.9° | 180.0° |
| C24 | C25 | C26 | H21 | 178.8° | 180.0° |
| N61 | C60 | N32 | C39 | 179.7° | 179.7° |
| N61 | C60 | N32 | C33 | 178.7° | 179.8° |
| N61 | C60 | C39 | C40 | 0.9° | 0.3° |
| N61 | C60 | C39 | C38 | 179.3° | 179.7° |
| F58 | C55 | F56 | C54 | 118.4° | 120.0° |
| F58 | C55 | F56 | F57 | 117.0° | 120.0° |
| F58 | C55 | C54 | F57 | 120.7° | 120.1° |
| F58 | C55 | C54 | C59 | 111.9° | 120.0° |
| F58 | C55 | C54 | C43 | 69.4° | 60.7° |
| C60 | N32 | C33 | C34 | 0.3° | 0.1° |
| N32 | C60 | C39 | C40 | 179.4° | 179.9° |
| N32 | C60 | C39 | C38 | 0.4° | 0.0° |
| C60 | N32 | C31 | H35 | 178.9° | 179.8° |
| C60 | N32 | C33 | H36 | 179.7° | 180.0° |
| C33 | N32 | C60 | C39 | 1.0° | 0.1° |
| N32 | C33 | C34 | H36 | 180.0° | 179.9° |
| N32 | C33 | C34 | C38 | 1.9° | 0.0° |
| N32 | C33 | C34 | C35 | 179.3° | 180.0° |
| C33 | N32 | C31 | H35 | 1.3° | 0.1° |
| C60 | C39 | C40 | C59 | 31.2° | 115.0° |
| C60 | C39 | C40 | C38 | 179.8° | 180.0° |
| C60 | C39 | C40 | C41 | 149.5° | 65.6° |
| C60 | C39 | C38 | C34 | 1.2° | 0.0° |
| C60 | C39 | C38 | H38 | 178.8° | 180.0° |
| F56 | C55 | C54 | F57 | 122.6° | 120.0° |
| F56 | C55 | C54 | C59 | 4.9° | 120.0° |
| F56 | C55 | C54 | C43 | 173.8° | 59.3° |
| C55 | C54 | C59 | C43 | 178.7° | 179.3° |
| C55 | C54 | C59 | C40 | 179.5° | 179.9° |
| C55 | C54 | C43 | C44 | 4.5° | 0.2° |
| C55 | C54 | C43 | C42 | 178.7° | 179.8° |
| C55 | C54 | C59 | H6 | 0.4° | 0.1° |
| F57 | C55 | C54 | C59 | 127.4° | 0.1° |
| F57 | C55 | C54 | C43 | 51.3° | 179.2° |
| C33 | C34 | C38 | C39 | 2.4° | 0.0° |
| C33 | C34 | C38 | C35 | 178.8° | 180.0° |
| C33 | C34 | C35 | O37 | 0.3° | 0.1° |
| C33 | C34 | C35 | O36 | 176.7° | 180.0° |
| C33 | C34 | C38 | H38 | 177.6° | 180.0° |
| C54 | C59 | C40 | H6 | 180.0° | 179.9° |
| C54 | C59 | C40 | C39 | 178.8° | 179.9° |
| C54 | C59 | C40 | C41 | 0.5° | 0.6° |
| C59 | C54 | C43 | C44 | 176.7° | 179.5° |
| C59 | C54 | C43 | C42 | 2.6° | 0.5° |
| C40 | C59 | C54 | C43 | 1.7° | 0.8° |
| C59 | C40 | C39 | C41 | 179.3° | 179.3° |
| C59 | C40 | C39 | C38 | 148.6° | 64.9° |
| C59 | C40 | C41 | C42 | 1.8° | 0.1° |
| C59 | C40 | C41 | H1 | 178.2° | 179.7° |
| C54 | C43 | C44 | C42 | 174.3° | 179.9° |
| C54 | C43 | C42 | C41 | 1.3° | 0.0° |
| C54 | C43 | C42 | H2 | 178.7° | 179.9° |
| C54 | C43 | C44 | H3 | 93.1° | 89.9° |
| C54 | C43 | C44 | H4 | 146.9° | 30.1° |
| C54 | C43 | C44 | H5 | 26.9° | 150.0° |
| C43 | C54 | C59 | H6 | 178.3° | 179.1° |
| C40 | C39 | C38 | C34 | 179.0° | 179.9° |
| C39 | C40 | C41 | C42 | 177.5° | 179.4° |
| C39 | C40 | C41 | H1 | 2.5° | 0.4° |
| C39 | C40 | C59 | H6 | 1.2° | 0.0° |
| C40 | C39 | C38 | H38 | 1.0° | 0.1° |
| C38 | C39 | C40 | C41 | 30.7° | 114.4° |
| C39 | C38 | C34 | H38 | 180.0° | 180.0° |
| C39 | C38 | C34 | C35 | 178.8° | 180.0° |
| C40 | C41 | C42 | C43 | 0.9° | 0.2° |
| C40 | C41 | C42 | H1 | 180.0° | 179.8° |
| C40 | C41 | C42 | H2 | 179.1° | 179.8° |
| C41 | C40 | C59 | H6 | 179.5° | 179.3° |
| C44 | C43 | C42 | C41 | 175.7° | 180.0° |
| C44 | C43 | C42 | H2 | 4.3° | 0.0° |
| C43 | C44 | H3 | H4 | 120.0° | 120.0° |
| C43 | C44 | H3 | H5 | 120.0° | 120.0° |
| C43 | C44 | H4 | H5 | 120.0° | 120.0° |
| C43 | C42 | C41 | H2 | 180.0° | 180.0° |
| C43 | C42 | C41 | H1 | 179.1° | 179.9° |
| C42 | C43 | C44 | H3 | 92.6° | 90.0° |
| C42 | C43 | C44 | H4 | 27.4° | 150.0° |
| C42 | C43 | C44 | H5 | 147.4° | 30.0° |
| C38 | C34 | C35 | O37 | 179.1° | 180.0° |
| C38 | C34 | C35 | O36 | 2.1° | 0.0° |
| C38 | C34 | C33 | H36 | 178.0° | 180.0° |
| C34 | C35 | O37 | O36 | 176.8° | 179.9° |
| C35 | C34 | C33 | H36 | 0.7° | 0.0° |
| C34 | C35 | O36 | H37 | 176.8° | 180.0° |
| C35 | C34 | C38 | H38 | 1.2° | 0.0° |
| O37 | C35 | O36 | H37 | 0.0° | 0.0° |
| H1 | C41 | C42 | H2 | 0.9° | 0.1° |
| H3 | C44 | H4 | H5 | 120.0° | 120.1° |
| H7 | C11 | C10 | H33 | 57.7° | 177.0° |
| H7 | C11 | C10 | H34 | 62.1° | 56.9° |
| H8 | C11 | C10 | H33 | 177.5° | 56.9° |
| H8 | C11 | C10 | H34 | 57.7° | 63.2° |
| H9 | C13 | C14 | H11 | 51.5° | 63.3° |
| H9 | C13 | C14 | H12 | 170.9° | 56.9° |
| H10 | C13 | C14 | H11 | 67.8° | 56.7° |
| H10 | C13 | C14 | H12 | 51.6° | 176.9° |
| H13 | C16 | C17 | H15 | 88.7° | 157.2° |
| H13 | C16 | C17 | H16 | 150.6° | 39.9° |
| H13 | C16 | C4 | H26 | 175.1° | 36.1° |
| H14 | C16 | C17 | H15 | 29.9° | 36.1° |
| H14 | C16 | C17 | H16 | 90.9° | 81.3° |
| H14 | C16 | C4 | H26 | 56.5° | 157.2° |
| H17 | C22 | C23 | H18 | 1.2° | 0.1° |
| H18 | C23 | C24 | H19 | 3.1° | 0.0° |
| H19 | C24 | C25 | H20 | 3.0° | 0.0° |
| H20 | C25 | C26 | H21 | 1.2° | 0.0° |
| H22 | C28 | C29 | H24 | 47.2° | 66.0° |
| H22 | C28 | C29 | H25 | 72.3° | 54.0° |
| H23 | C28 | C29 | H24 | 72.4° | 53.9° |
| H23 | C28 | C29 | H25 | 168.1° | 173.9° |
| H27 | N6 | C7 | H28 | 152.0° | 120.1° |
| H27 | N6 | C7 | H29 | 88.2° | 120.0° |
| H28 | C7 | C8 | H30 | 151.4° | 180.0° |
| H28 | C7 | C8 | H31 | 31.4° | 60.0° |
| H29 | C7 | C8 | H30 | 88.8° | 60.0° |
| H29 | C7 | C8 | H31 | 151.2° | 180.0° |
