A1ETD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C12 | sing | 1.53Å | 1.55Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C15 | C08 | sing | 1.53Å | 1.52Å | |
| C15 | C19 | sing | 1.55Å | 1.36Å | |
| C17 | C16 | sing | 1.54Å | 1.36Å | |
| C17 | C18 | sing | 1.54Å | 1.61Å | |
| C24 | C23 | sing | 1.53Å | 1.55Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C26 | C25 | sing | 1.51Å | 1.53Å | |
| C26 | N27 | sing | 1.35Å | 1.36Å | Aromatic |
| C26 | N30 | doub | 1.31Å | 1.36Å | Aromatic |
| C01 | C02 | doub | 1.39Å | 1.40Å | Aromatic |
| C01 | C06 | sing | 1.38Å | 1.41Å | Aromatic |
| C01 | CL20 | sing | 1.74Å | 1.78Å | |
| C02 | C03 | sing | 1.39Å | 1.41Å | Aromatic |
| C02 | O22 | sing | 1.36Å | 1.42Å | |
| C03 | C04 | doub | 1.37Å | 1.41Å | Aromatic |
| C04 | C05 | sing | 1.40Å | 1.40Å | Aromatic |
| C04 | C07 | sing | 1.51Å | 1.57Å | |
| C05 | C06 | doub | 1.41Å | 1.41Å | Aromatic |
| C05 | C09 | sing | 1.47Å | 1.53Å | |
| C06 | CL21 | sing | 1.74Å | 1.78Å | |
| C07 | C08 | sing | 1.53Å | 1.52Å | |
| C08 | C09 | sing | 1.51Å | 1.50Å | |
| C08 | C11 | sing | 1.53Å | 1.56Å | |
| C09 | O10 | doub | 1.21Å | 1.18Å | |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C18 | C19 | sing | 1.54Å | 1.62Å | |
| C23 | O22 | sing | 1.43Å | 1.42Å | |
| N27 | N28 | sing | 1.29Å | 1.34Å | Aromatic |
| N28 | N29 | doub | 1.29Å | 1.31Å | Aromatic |
| N29 | N30 | sing | 1.29Å | 1.35Å | Aromatic |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C03 | H9 | sing | 1.08Å | 1.08Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| N27 | H30 | sing | 0.97Å | 1.00Å | |
| C15 | C16 | sing | 1.55Å | 1.70Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C13 | C14 | 112.1° | 109.4° |
| C13 | C12 | C11 | 112.2° | 109.5° |
| C12 | C13 | H1 | 108.8° | 109.5° |
| C12 | C13 | H2 | 108.8° | 109.5° |
| C13 | C12 | H14 | 108.8° | 109.5° |
| C13 | C12 | H15 | 108.8° | 109.5° |
| C14 | C13 | H1 | 108.8° | 109.5° |
| C14 | C13 | H2 | 108.8° | 109.5° |
| C13 | C14 | H16 | 109.5° | 109.5° |
| C13 | C14 | H17 | 109.5° | 109.5° |
| C13 | C14 | H18 | 109.5° | 109.4° |
| C08 | C15 | C19 | 109.9° | 110.7° |
| C15 | C08 | C07 | 110.8° | 110.2° |
| C15 | C08 | C09 | 111.3° | 110.3° |
| C15 | C08 | C11 | 110.4° | 110.3° |
| C08 | C15 | H3 | 109.9° | 110.7° |
| C08 | C15 | C16 | 110.4° | 110.7° |
| C15 | C19 | C18 | 106.4° | 104.2° |
| C19 | C15 | H3 | 112.5° | 110.8° |
| C15 | C19 | H24 | 110.2° | 110.5° |
| C15 | C19 | H25 | 110.2° | 110.5° |
| C19 | C15 | C16 | 106.3° | 102.7° |
| C16 | C17 | C18 | 105.2° | 106.6° |
| C16 | C17 | H5 | 110.5° | 110.0° |
| C16 | C17 | H6 | 110.5° | 110.1° |
| C17 | C16 | H19 | 110.3° | 110.5° |
| C17 | C16 | H20 | 110.3° | 110.5° |
| C17 | C16 | C15 | 106.1° | 104.2° |
| C17 | C18 | C19 | 105.6° | 106.6° |
| C18 | C17 | H5 | 110.6° | 110.0° |
| C18 | C17 | H6 | 110.5° | 110.0° |
| C17 | C18 | H22 | 110.4° | 110.0° |
| C17 | C18 | H23 | 110.4° | 110.0° |
| C23 | C24 | C25 | 112.5° | 109.5° |
| C24 | C23 | O22 | 107.5° | 109.5° |
| C23 | C24 | H7 | 108.7° | 109.5° |
| C23 | C24 | H8 | 108.7° | 109.5° |
| C24 | C23 | H26 | 110.0° | 109.4° |
| C24 | C23 | H27 | 110.0° | 109.4° |
| C24 | C25 | C26 | 112.2° | 109.5° |
| C25 | C24 | H7 | 108.7° | 109.4° |
| C25 | C24 | H8 | 108.7° | 109.5° |
| C24 | C25 | H28 | 108.8° | 109.4° |
| C24 | C25 | H29 | 108.8° | 109.5° |
| C25 | C26 | N27 | 126.7° | 126.7° |
| C25 | C26 | N30 | 126.8° | 126.6° |
| C26 | C25 | H28 | 108.8° | 109.5° |
| C26 | C25 | H29 | 108.8° | 109.5° |
| N27 | C26 | N30 | 106.5° | 106.7° |
| C26 | N27 | N28 | 107.9° | 107.1° |
| C26 | N27 | H30 | 126.1° | 126.4° |
| C26 | N30 | N29 | 107.8° | 108.0° |
| C02 | C01 | C06 | 120.1° | 119.9° |
| C02 | C01 | CL20 | 119.7° | 120.0° |
| C01 | C02 | C03 | 120.1° | 120.1° |
| C01 | C02 | O22 | 119.8° | 120.0° |
| C06 | C01 | CL20 | 120.1° | 120.0° |
| C01 | C06 | C05 | 119.7° | 120.0° |
| C01 | C06 | CL21 | 120.3° | 120.0° |
| C03 | C02 | O22 | 120.1° | 119.9° |
| C02 | C03 | C04 | 119.9° | 120.5° |
| C02 | C03 | H9 | 120.0° | 119.8° |
| C02 | O22 | C23 | 114.5° | 117.0° |
| C03 | C04 | C05 | 119.9° | 120.1° |
| C03 | C04 | C07 | 132.1° | 130.4° |
| C04 | C03 | H9 | 120.0° | 119.7° |
| C05 | C04 | C07 | 108.0° | 109.6° |
| C04 | C05 | C06 | 120.2° | 119.5° |
| C04 | C05 | C09 | 108.6° | 110.6° |
| C04 | C07 | C08 | 104.8° | 106.3° |
| C04 | C07 | H10 | 110.6° | 110.0° |
| C04 | C07 | H11 | 110.6° | 110.1° |
| C06 | C05 | C09 | 131.2° | 129.9° |
| C05 | C06 | CL21 | 120.0° | 120.0° |
| C05 | C09 | C08 | 106.8° | 108.2° |
| C05 | C09 | O10 | 126.6° | 125.9° |
| C07 | C08 | C09 | 103.8° | 105.4° |
| C07 | C08 | C11 | 109.8° | 110.3° |
| C08 | C07 | H10 | 110.6° | 110.1° |
| C08 | C07 | H11 | 110.6° | 110.1° |
| C09 | C08 | C11 | 110.4° | 110.3° |
| C08 | C09 | O10 | 126.6° | 125.9° |
| C08 | C11 | C12 | 113.3° | 109.5° |
| C08 | C11 | H12 | 108.5° | 109.4° |
| C08 | C11 | H13 | 108.5° | 109.4° |
| C12 | C11 | H12 | 108.5° | 109.5° |
| C12 | C11 | H13 | 108.5° | 109.5° |
| C11 | C12 | H14 | 108.8° | 109.5° |
| C11 | C12 | H15 | 108.7° | 109.4° |
| C19 | C18 | H22 | 110.4° | 110.0° |
| C19 | C18 | H23 | 110.4° | 110.0° |
| C18 | C19 | H24 | 110.2° | 110.4° |
| C18 | C19 | H25 | 110.2° | 110.5° |
| O22 | C23 | H26 | 110.0° | 109.5° |
| O22 | C23 | H27 | 110.0° | 109.5° |
| N27 | N28 | N29 | 108.9° | 108.8° |
| N28 | N27 | H30 | 126.0° | 126.5° |
| N28 | N29 | N30 | 108.9° | 109.4° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H3 | C15 | C16 | 107.8° | 110.9° |
| H5 | C17 | H6 | 109.5° | 110.0° |
| H7 | C24 | H8 | 109.5° | 109.5° |
| H10 | C07 | H11 | 109.5° | 110.1° |
| H12 | C11 | H13 | 109.5° | 109.5° |
| H14 | C12 | H15 | 109.5° | 109.4° |
| H16 | C14 | H17 | 109.4° | 109.5° |
| H16 | C14 | H18 | 109.4° | 109.5° |
| H17 | C14 | H18 | 109.5° | 109.5° |
| H19 | C16 | H20 | 109.5° | 110.5° |
| H19 | C16 | C15 | 110.3° | 110.5° |
| H20 | C16 | C15 | 110.3° | 110.5° |
| H22 | C18 | H23 | 109.5° | 110.1° |
| H24 | C19 | H25 | 109.5° | 110.6° |
| H26 | C23 | H27 | 109.5° | 109.5° |
| H28 | C25 | H29 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C13 | C14 | H1 | 120.4° | 120.0° |
| C12 | C13 | C14 | H2 | 120.4° | 120.0° |
| C13 | C12 | C11 | C08 | 176.6° | 180.0° |
| C13 | C12 | C11 | H14 | 120.4° | 120.1° |
| C13 | C12 | C11 | H15 | 120.4° | 120.0° |
| C12 | C13 | H1 | H2 | 118.8° | 120.0° |
| C13 | C12 | C11 | H12 | 62.8° | 60.1° |
| C13 | C12 | C11 | H13 | 56.0° | 60.0° |
| C13 | C12 | H14 | H15 | 118.8° | 120.0° |
| C12 | C13 | C14 | H16 | 180.0° | 60.0° |
| C12 | C13 | C14 | H17 | 60.0° | 60.0° |
| C12 | C13 | C14 | H18 | 60.0° | 180.0° |
| C14 | C13 | C12 | C11 | 135.2° | 180.0° |
| C14 | C13 | H1 | H2 | 118.8° | 120.1° |
| C14 | C13 | C12 | H14 | 104.4° | 60.0° |
| C14 | C13 | C12 | H15 | 14.8° | 60.0° |
| C13 | C14 | H16 | H17 | 120.0° | 120.0° |
| C13 | C14 | H16 | H18 | 120.0° | 119.9° |
| C13 | C14 | H17 | H18 | 120.0° | 119.9° |
| C08 | C15 | C19 | H3 | 122.8° | 123.2° |
| C08 | C15 | C19 | C16 | 119.5° | 118.3° |
| C08 | C15 | C16 | C17 | 153.3° | 156.3° |
| C15 | C08 | C07 | C04 | 146.4° | 119.0° |
| C15 | C08 | C09 | C05 | 146.6° | 118.9° |
| C15 | C08 | C07 | C09 | 119.7° | 119.0° |
| C15 | C08 | C07 | C11 | 122.3° | 122.0° |
| C15 | C08 | C09 | C11 | 123.1° | 122.0° |
| C15 | C08 | C09 | O10 | 33.3° | 61.0° |
| C15 | C08 | C11 | C12 | 127.8° | 180.0° |
| C08 | C15 | C19 | C18 | 140.4° | 156.2° |
| C08 | C15 | H3 | C16 | 120.4° | 123.3° |
| C15 | C08 | C07 | H10 | 94.3° | 121.9° |
| C15 | C08 | C07 | H11 | 27.2° | 0.2° |
| C15 | C08 | C11 | H12 | 111.7° | 60.0° |
| C15 | C08 | C11 | H13 | 7.2° | 60.0° |
| C08 | C15 | C16 | H19 | 87.3° | 37.5° |
| C08 | C15 | C16 | H20 | 33.8° | 85.1° |
| C08 | C15 | C19 | H24 | 100.1° | 85.1° |
| C08 | C15 | C19 | H25 | 20.8° | 37.5° |
| C19 | C15 | C16 | C17 | 34.2° | 38.0° |
| C15 | C19 | C18 | C17 | 5.0° | 23.6° |
| C19 | C15 | C08 | C07 | 104.3° | 59.3° |
| C19 | C15 | C08 | C09 | 140.6° | 56.6° |
| C19 | C15 | C08 | C11 | 17.6° | 178.7° |
| C15 | C19 | C18 | H24 | 119.5° | 118.6° |
| C15 | C19 | C18 | H25 | 119.5° | 118.7° |
| C19 | C15 | H3 | C16 | 116.8° | 113.4° |
| C19 | C15 | C16 | H19 | 153.6° | 80.7° |
| C19 | C15 | C16 | H20 | 85.3° | 156.6° |
| C15 | C19 | C18 | H22 | 124.4° | 142.9° |
| C15 | C19 | C18 | H23 | 114.4° | 95.6° |
| C15 | C19 | H24 | H25 | 121.4° | 122.6° |
| C16 | C17 | C18 | H5 | 119.3° | 119.3° |
| C16 | C17 | C18 | H6 | 119.3° | 119.4° |
| C16 | C17 | C18 | C19 | 17.3° | 0.0° |
| C17 | C16 | C15 | H3 | 86.6° | 80.4° |
| C16 | C17 | H5 | H6 | 122.0° | 121.4° |
| C17 | C16 | H19 | H20 | 121.6° | 122.6° |
| C17 | C16 | H19 | C15 | 116.9° | 114.8° |
| C17 | C16 | H20 | C15 | 116.9° | 114.7° |
| C16 | C17 | C18 | H22 | 102.1° | 119.2° |
| C16 | C17 | C18 | H23 | 136.7° | 119.3° |
| C17 | C18 | C19 | H22 | 119.4° | 119.3° |
| C17 | C18 | C19 | H23 | 119.4° | 119.2° |
| C18 | C17 | H5 | H6 | 122.0° | 121.4° |
| C18 | C17 | C16 | H19 | 148.2° | 95.1° |
| C18 | C17 | C16 | H20 | 90.7° | 142.3° |
| C17 | C18 | H22 | H23 | 121.8° | 121.4° |
| C17 | C18 | C19 | H24 | 124.5° | 142.3° |
| C17 | C18 | C19 | H25 | 114.5° | 95.1° |
| C18 | C17 | C16 | C15 | 28.7° | 23.7° |
| C23 | C24 | C25 | H7 | 120.4° | 120.0° |
| C23 | C24 | C25 | H8 | 120.4° | 120.1° |
| C23 | C24 | C25 | C26 | 120.1° | 180.0° |
| C24 | C23 | O22 | C02 | 174.9° | 180.0° |
| C24 | C23 | O22 | H26 | 119.7° | 120.0° |
| C24 | C23 | O22 | H27 | 119.7° | 120.0° |
| C23 | C24 | H7 | H8 | 118.6° | 120.0° |
| C24 | C23 | H26 | H27 | 120.9° | 119.9° |
| C23 | C24 | C25 | H28 | 0.3° | 60.0° |
| C23 | C24 | C25 | H29 | 119.5° | 60.0° |
| C24 | C25 | C26 | H28 | 120.4° | 119.9° |
| C24 | C25 | C26 | H29 | 120.4° | 120.0° |
| C24 | C25 | C26 | N27 | 165.4° | 125.0° |
| C24 | C25 | C26 | N30 | 14.4° | 55.4° |
| C25 | C24 | C23 | O22 | 144.3° | 180.0° |
| C25 | C24 | H7 | H8 | 118.6° | 120.0° |
| C25 | C24 | C23 | H26 | 96.0° | 60.0° |
| C25 | C24 | C23 | H27 | 24.6° | 60.0° |
| C24 | C25 | H28 | H29 | 118.8° | 120.0° |
| C25 | C26 | N27 | N30 | 179.8° | 179.7° |
| C25 | C26 | N27 | N28 | 179.9° | 180.0° |
| C25 | C26 | N30 | N29 | 179.9° | 179.9° |
| C26 | C25 | C24 | H7 | 119.5° | 60.0° |
| C26 | C25 | C24 | H8 | 0.4° | 59.9° |
| C26 | C25 | H28 | H29 | 118.7° | 120.0° |
| C25 | C26 | N27 | H30 | 0.1° | 0.1° |
| C26 | N27 | N28 | H30 | 180.0° | 180.0° |
| C26 | N27 | N28 | N29 | 0.0° | 0.0° |
| N27 | C26 | N30 | N29 | 0.1° | 0.4° |
| N27 | C26 | C25 | H28 | 44.9° | 5.0° |
| N27 | C26 | C25 | H29 | 74.2° | 115.0° |
| N30 | C26 | N27 | N28 | 0.1° | 0.3° |
| C26 | N30 | N29 | N28 | 0.1° | 0.4° |
| N30 | C26 | C25 | H28 | 134.9° | 175.3° |
| N30 | C26 | C25 | H29 | 106.0° | 64.7° |
| N30 | C26 | N27 | H30 | 179.9° | 179.8° |
| C02 | C01 | C06 | CL20 | 179.9° | 179.7° |
| C01 | C02 | C03 | O22 | 179.8° | 179.9° |
| C01 | C02 | C03 | C04 | 0.0° | 0.0° |
| C02 | C01 | C06 | C05 | 0.1° | 0.1° |
| C02 | C01 | C06 | CL21 | 179.9° | 180.0° |
| C01 | C02 | O22 | C23 | 72.7° | 180.0° |
| C01 | C02 | C03 | H9 | 180.0° | 180.0° |
| C06 | C01 | C02 | C03 | 0.1° | 0.1° |
| C06 | C01 | C02 | O22 | 179.9° | 180.0° |
| C01 | C06 | C05 | C04 | 0.0° | 0.0° |
| C01 | C06 | C05 | CL21 | 180.0° | 180.0° |
| C01 | C06 | C05 | C09 | 179.9° | 179.9° |
| CL20 | C01 | C02 | C03 | 180.0° | 179.7° |
| CL20 | C01 | C02 | O22 | 0.2° | 0.4° |
| CL20 | C01 | C06 | C05 | 180.0° | 179.7° |
| CL20 | C01 | C06 | CL21 | 0.0° | 0.3° |
| C02 | C03 | C04 | H9 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.1° | 0.0° |
| C02 | C03 | C04 | C07 | 180.0° | 180.0° |
| C03 | C02 | O22 | C23 | 107.5° | 0.1° |
| O22 | C02 | C03 | C04 | 179.8° | 179.9° |
| O22 | C02 | C03 | H9 | 0.2° | 0.1° |
| C02 | O22 | C23 | H26 | 65.4° | 60.1° |
| C02 | O22 | C23 | H27 | 55.3° | 60.0° |
| C03 | C04 | C05 | C07 | 179.9° | 179.9° |
| C03 | C04 | C05 | C06 | 0.1° | 0.1° |
| C03 | C04 | C05 | C09 | 180.0° | 180.0° |
| C03 | C04 | C07 | C08 | 163.1° | 180.0° |
| C03 | C04 | C07 | H10 | 43.8° | 60.8° |
| C03 | C04 | C07 | H11 | 77.7° | 60.7° |
| C04 | C05 | C06 | C09 | 179.9° | 179.9° |
| C04 | C05 | C06 | CL21 | 180.0° | 180.0° |
| C05 | C04 | C07 | C08 | 17.0° | 0.1° |
| C04 | C05 | C09 | C08 | 17.4° | 0.1° |
| C04 | C05 | C09 | O10 | 162.5° | 180.0° |
| C05 | C04 | C03 | H9 | 179.9° | 179.9° |
| C05 | C04 | C07 | H10 | 136.3° | 119.3° |
| C05 | C04 | C07 | H11 | 102.2° | 119.2° |
| C07 | C04 | C05 | C06 | 180.0° | 180.0° |
| C07 | C04 | C05 | C09 | 0.1° | 0.1° |
| C04 | C07 | C08 | H10 | 119.3° | 119.2° |
| C04 | C07 | C08 | H11 | 119.2° | 119.2° |
| C04 | C07 | C08 | C09 | 26.8° | 0.0° |
| C04 | C07 | C08 | C11 | 91.3° | 119.0° |
| C07 | C04 | C03 | H9 | 0.0° | 0.0° |
| C04 | C07 | H10 | H11 | 122.1° | 121.5° |
| C06 | C05 | C09 | C08 | 162.5° | 180.0° |
| C06 | C05 | C09 | O10 | 17.6° | 0.1° |
| C09 | C05 | C06 | CL21 | 0.1° | 0.1° |
| C05 | C09 | C08 | C07 | 27.3° | 0.0° |
| C05 | C09 | C08 | O10 | 179.9° | 180.0° |
| C05 | C09 | C08 | C11 | 90.4° | 119.0° |
| C07 | C08 | C09 | C11 | 117.6° | 119.0° |
| C07 | C08 | C09 | O10 | 152.6° | 180.0° |
| C07 | C08 | C11 | C12 | 109.7° | 58.0° |
| C07 | C08 | C15 | H3 | 131.4° | 64.0° |
| C08 | C07 | H10 | H11 | 122.2° | 121.6° |
| C07 | C08 | C11 | H12 | 10.8° | 62.0° |
| C07 | C08 | C11 | H13 | 129.7° | 178.0° |
| C07 | C08 | C15 | C16 | 12.6° | 172.6° |
| C09 | C08 | C11 | C12 | 4.2° | 58.0° |
| C09 | C08 | C15 | H3 | 16.3° | 179.9° |
| C09 | C08 | C07 | H10 | 146.1° | 119.2° |
| C09 | C08 | C07 | H11 | 92.4° | 119.2° |
| C09 | C08 | C11 | H12 | 124.7° | 178.0° |
| C09 | C08 | C11 | H13 | 116.4° | 62.1° |
| C09 | C08 | C15 | C16 | 102.5° | 56.7° |
| C11 | C08 | C09 | O10 | 89.8° | 61.0° |
| C08 | C11 | C12 | H12 | 120.5° | 120.0° |
| C08 | C11 | C12 | H13 | 120.6° | 120.0° |
| C11 | C08 | C15 | H3 | 106.8° | 58.0° |
| C11 | C08 | C07 | H10 | 28.0° | 0.1° |
| C11 | C08 | C07 | H11 | 149.5° | 121.7° |
| C08 | C11 | H12 | H13 | 118.3° | 119.9° |
| C08 | C11 | C12 | H14 | 62.9° | 59.9° |
| C08 | C11 | C12 | H15 | 56.2° | 60.0° |
| C11 | C08 | C15 | C16 | 134.5° | 65.4° |
| C11 | C12 | C13 | H1 | 104.4° | 60.0° |
| C11 | C12 | C13 | H2 | 14.8° | 60.0° |
| C12 | C11 | H12 | H13 | 118.3° | 120.1° |
| C11 | C12 | H14 | H15 | 118.7° | 119.9° |
| C18 | C19 | C15 | H3 | 96.8° | 80.5° |
| C19 | C18 | C17 | H5 | 136.6° | 119.3° |
| C19 | C18 | C17 | H6 | 102.0° | 119.3° |
| C19 | C18 | H22 | H23 | 121.8° | 121.5° |
| C18 | C19 | H24 | H25 | 121.4° | 122.6° |
| C18 | C19 | C15 | C16 | 20.9° | 38.0° |
| O22 | C23 | C24 | H7 | 95.3° | 60.0° |
| O22 | C23 | C24 | H8 | 23.9° | 60.0° |
| O22 | C23 | H26 | H27 | 120.9° | 120.1° |
| N27 | N28 | N29 | N30 | 0.0° | 0.2° |
| N29 | N28 | N27 | H30 | 180.0° | 180.0° |
| H1 | C13 | C12 | H14 | 16.0° | 60.0° |
| H1 | C13 | C12 | H15 | 135.2° | 180.0° |
| H1 | C13 | C14 | H16 | 59.6° | 180.0° |
| H1 | C13 | C14 | H17 | 179.6° | 60.0° |
| H1 | C13 | C14 | H18 | 60.4° | 60.0° |
| H2 | C13 | C12 | H14 | 135.2° | 180.0° |
| H2 | C13 | C12 | H15 | 105.6° | 60.0° |
| H2 | C13 | C14 | H16 | 59.6° | 59.9° |
| H2 | C13 | C14 | H17 | 60.4° | 180.0° |
| H2 | C13 | C14 | H18 | 179.6° | 60.0° |
| H3 | C15 | C16 | H19 | 32.8° | 160.8° |
| H3 | C15 | C16 | H20 | 153.9° | 38.2° |
| H3 | C15 | C19 | H24 | 22.7° | 38.1° |
| H3 | C15 | C19 | H25 | 143.7° | 160.8° |
| H5 | C17 | C16 | H19 | 92.4° | 24.2° |
| H5 | C17 | C16 | H20 | 28.6° | 98.5° |
| H5 | C17 | C18 | H22 | 17.2° | 0.0° |
| H5 | C17 | C18 | H23 | 104.0° | 121.5° |
| H5 | C17 | C16 | C15 | 148.1° | 142.9° |
| H6 | C17 | C16 | H19 | 28.9° | 145.6° |
| H6 | C17 | C16 | H20 | 150.0° | 23.0° |
| H6 | C17 | C18 | H22 | 138.6° | 121.4° |
| H6 | C17 | C18 | H23 | 17.4° | 0.1° |
| H6 | C17 | C16 | C15 | 90.6° | 95.7° |
| H7 | C24 | C23 | H26 | 24.4° | 60.0° |
| H7 | C24 | C23 | H27 | 145.1° | 180.0° |
| H7 | C24 | C25 | H28 | 120.1° | NaN° |
| H7 | C24 | C25 | H29 | 0.9° | 60.0° |
| H8 | C24 | C23 | H26 | 143.6° | 180.0° |
| H8 | C24 | C23 | H27 | 95.8° | 60.0° |
| H8 | C24 | C25 | H28 | 120.8° | 60.0° |
| H8 | C24 | C25 | H29 | 120.0° | 180.0° |
| H12 | C11 | C12 | H14 | 57.6° | 60.0° |
| H12 | C11 | C12 | H15 | 176.8° | 180.0° |
| H13 | C11 | C12 | H14 | 176.5° | 179.9° |
| H13 | C11 | C12 | H15 | 64.4° | 60.0° |
| H16 | C14 | H17 | H18 | 120.0° | 120.0° |
| H19 | C16 | H20 | C15 | 121.5° | 122.6° |
| H22 | C18 | C19 | H24 | 116.1° | 98.5° |
| H22 | C18 | C19 | H25 | 4.9° | 24.2° |
| H23 | C18 | C19 | H24 | 5.1° | 23.0° |
| H23 | C18 | C19 | H25 | 126.1° | 145.7° |
| H24 | C19 | C15 | C16 | 140.4° | 156.6° |
| H25 | C19 | C15 | C16 | 98.6° | 80.7° |
