F4X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | C07 | sing | 1.43Å | 1.39Å | |
| O10 | C06 | sing | 1.43Å | 1.41Å | |
| C30 | C25 | sing | 1.53Å | 1.54Å | |
| C06 | C07 | sing | 1.53Å | 1.54Å | |
| C06 | C05 | sing | 1.53Å | 1.51Å | |
| C07 | C02 | sing | 1.53Å | 1.54Å | |
| O40 | C39 | doub | 1.21Å | 1.22Å | |
| C02 | O01 | sing | 1.43Å | 1.39Å | |
| C02 | O03 | sing | 1.43Å | 1.40Å | |
| C14 | C15 | doub | 1.38Å | 1.33Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.54Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.53Å | Aromatic |
| C25 | C31 | sing | 1.53Å | 1.53Å | |
| C25 | C21 | sing | 1.52Å | 1.52Å | |
| C25 | C24 | sing | 1.51Å | 1.50Å | |
| C13 | O01 | sing | 1.36Å | 1.41Å | |
| C13 | C18 | doub | 1.39Å | 1.32Å | Aromatic |
| C16 | C19 | sing | 1.47Å | 1.49Å | |
| C16 | C17 | doub | 1.40Å | 1.32Å | Aromatic |
| C20 | C19 | doub | 1.35Å | 1.34Å | |
| C20 | C21 | sing | 1.41Å | 1.34Å | |
| C38 | C39 | sing | 1.51Å | 1.53Å | |
| C38 | C37 | sing | 1.53Å | 1.55Å | |
| C39 | O41 | sing | 1.34Å | 1.22Å | |
| C05 | C04 | sing | 1.53Å | 1.52Å | |
| C05 | O12 | sing | 1.43Å | 1.42Å | |
| C18 | C17 | sing | 1.38Å | 1.53Å | Aromatic |
| C29 | C24 | doub | 1.37Å | 1.40Å | Aromatic |
| C29 | C28 | sing | 1.39Å | 1.41Å | Aromatic |
| C21 | N22 | doub | 1.30Å | 1.42Å | |
| C24 | C23 | sing | 1.40Å | 1.39Å | Aromatic |
| C04 | O03 | sing | 1.43Å | 1.41Å | |
| C04 | C08 | sing | 1.53Å | 1.53Å | |
| C37 | C36 | sing | 1.53Å | 1.55Å | |
| C28 | C27 | doub | 1.38Å | 1.41Å | Aromatic |
| N22 | C23 | sing | 1.36Å | 1.40Å | |
| N22 | C32 | sing | 1.47Å | 1.50Å | |
| C23 | C26 | doub | 1.40Å | 1.41Å | Aromatic |
| O09 | C08 | sing | 1.43Å | 1.40Å | |
| C36 | C35 | sing | 1.53Å | 1.54Å | |
| C27 | C26 | sing | 1.38Å | 1.41Å | Aromatic |
| C33 | C32 | sing | 1.53Å | 1.54Å | |
| C33 | C34 | sing | 1.53Å | 1.55Å | |
| C35 | C34 | sing | 1.53Å | 1.55Å | |
| C02 | H1 | sing | 1.09Å | 1.10Å | |
| C04 | H2 | sing | 1.09Å | 1.10Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C06 | H4 | sing | 1.09Å | 1.10Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| C08 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| O09 | H8 | sing | 0.97Å | 0.95Å | |
| O10 | H9 | sing | 0.97Å | 0.95Å | |
| O11 | H10 | sing | 0.97Å | 0.95Å | |
| O12 | H11 | sing | 0.97Å | 0.95Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C15 | H13 | sing | 1.08Å | 1.08Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| C20 | H17 | sing | 1.08Å | 1.08Å | |
| C26 | H19 | sing | 1.08Å | 1.08Å | |
| C27 | H20 | sing | 1.08Å | 1.08Å | |
| C28 | H21 | sing | 1.08Å | 1.08Å | |
| C29 | H22 | sing | 1.08Å | 1.08Å | |
| C30 | H23 | sing | 1.09Å | 1.10Å | |
| C30 | H24 | sing | 1.09Å | 1.10Å | |
| C30 | H25 | sing | 1.09Å | 1.10Å | |
| C31 | H26 | sing | 1.09Å | 1.10Å | |
| C31 | H27 | sing | 1.09Å | 1.10Å | |
| C31 | H28 | sing | 1.09Å | 1.10Å | |
| C32 | H29 | sing | 1.09Å | 1.10Å | |
| C32 | H30 | sing | 1.09Å | 1.10Å | |
| C33 | H31 | sing | 1.09Å | 1.10Å | |
| C33 | H32 | sing | 1.09Å | 1.10Å | |
| C34 | H33 | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H37 | sing | 1.09Å | 1.10Å | |
| C36 | H38 | sing | 1.09Å | 1.10Å | |
| C37 | H39 | sing | 1.09Å | 1.10Å | |
| C37 | H40 | sing | 1.09Å | 1.10Å | |
| C38 | H41 | sing | 1.09Å | 1.10Å | |
| C38 | H42 | sing | 1.09Å | 1.10Å | |
| O41 | H43 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | C07 | C06 | 112.0° | 109.5° |
| O11 | C07 | C02 | 107.0° | 109.5° |
| O11 | C07 | H5 | 109.2° | 109.6° |
| C07 | O11 | H10 | 109.5° | 114.0° |
| O10 | C06 | C07 | 110.0° | 109.6° |
| O10 | C06 | C05 | 108.4° | 109.5° |
| O10 | C06 | H4 | 111.3° | 109.6° |
| C06 | O10 | H9 | 109.5° | 114.0° |
| C30 | C25 | C31 | 110.2° | 110.6° |
| C30 | C25 | C21 | 110.2° | 110.7° |
| C30 | C25 | C24 | 111.8° | 110.9° |
| C25 | C30 | H23 | 109.5° | 109.5° |
| C25 | C30 | H24 | 109.4° | 109.4° |
| C25 | C30 | H25 | 109.4° | 109.5° |
| C07 | C06 | C05 | 107.9° | 109.0° |
| C06 | C07 | C02 | 113.9° | 109.2° |
| C07 | C06 | H4 | 109.4° | 109.6° |
| C06 | C07 | H5 | 107.3° | 109.5° |
| C06 | C05 | C04 | 108.5° | 109.2° |
| C06 | C05 | O12 | 106.7° | 109.5° |
| C06 | C05 | H3 | 109.9° | 109.6° |
| C05 | C06 | H4 | 109.8° | 109.5° |
| C07 | C02 | O01 | 103.5° | 109.5° |
| C07 | C02 | O03 | 111.8° | 109.4° |
| C07 | C02 | H1 | 110.1° | 109.5° |
| C02 | C07 | H5 | 107.3° | 109.6° |
| O40 | C39 | C38 | 117.2° | 120.0° |
| O40 | C39 | O41 | 124.2° | 120.0° |
| O01 | C02 | O03 | 106.6° | 109.5° |
| C02 | O01 | C13 | 114.2° | 117.0° |
| O01 | C02 | H1 | 112.4° | 109.5° |
| C02 | O03 | C04 | 116.0° | 114.1° |
| O03 | C02 | H1 | 112.2° | 109.5° |
| C15 | C14 | C13 | 119.5° | 120.1° |
| C14 | C15 | C16 | 120.1° | 119.9° |
| C15 | C14 | H12 | 120.3° | 119.9° |
| C14 | C15 | H13 | 120.0° | 120.0° |
| C14 | C13 | O01 | 122.9° | 119.9° |
| C14 | C13 | C18 | 119.5° | 120.3° |
| C13 | C14 | H12 | 120.2° | 120.0° |
| C15 | C16 | C19 | 123.7° | 120.1° |
| C15 | C16 | C17 | 120.6° | 119.8° |
| C16 | C15 | H13 | 119.9° | 120.1° |
| C31 | C25 | C21 | 110.5° | 110.7° |
| C31 | C25 | C24 | 111.9° | 110.6° |
| C25 | C31 | H26 | 109.5° | 109.4° |
| C25 | C31 | H27 | 109.5° | 109.5° |
| C25 | C31 | H28 | 109.5° | 109.5° |
| C21 | C25 | C24 | 102.0° | 103.2° |
| C25 | C21 | C20 | 118.9° | 126.3° |
| C25 | C21 | N22 | 108.4° | 107.5° |
| C25 | C24 | C29 | 127.5° | 133.8° |
| C25 | C24 | C23 | 109.9° | 105.3° |
| O01 | C13 | C18 | 117.6° | 119.8° |
| C13 | C18 | C17 | 121.0° | 120.1° |
| C13 | C18 | H15 | 119.5° | 120.0° |
| C19 | C16 | C17 | 115.5° | 120.1° |
| C16 | C19 | C20 | 126.7° | 120.0° |
| C16 | C19 | H16 | 116.7° | 120.0° |
| C16 | C17 | C18 | 119.3° | 119.9° |
| C16 | C17 | H14 | 120.3° | 120.1° |
| C19 | C20 | C21 | 126.0° | 120.0° |
| C20 | C19 | H16 | 116.6° | 120.1° |
| C19 | C20 | H17 | 117.0° | 120.0° |
| C20 | C21 | N22 | 132.5° | 126.2° |
| C21 | C20 | H17 | 117.0° | 120.0° |
| C39 | C38 | C37 | 114.2° | 109.5° |
| C38 | C39 | O41 | 118.7° | 120.0° |
| C39 | C38 | H41 | 108.2° | 109.4° |
| C39 | C38 | H42 | 108.2° | 109.5° |
| C38 | C37 | C36 | 117.7° | 109.5° |
| C38 | C37 | H39 | 107.4° | 109.4° |
| C38 | C37 | H40 | 107.4° | 109.5° |
| C37 | C38 | H41 | 108.3° | 109.4° |
| C37 | C38 | H42 | 108.3° | 109.5° |
| C39 | O41 | H43 | 109.5° | 117.0° |
| C04 | C05 | O12 | 110.6° | 109.5° |
| C05 | C04 | O03 | 110.8° | 109.4° |
| C05 | C04 | C08 | 110.3° | 109.5° |
| C05 | C04 | H2 | 108.5° | 109.5° |
| C04 | C05 | H3 | 109.8° | 109.5° |
| O12 | C05 | H3 | 111.3° | 109.5° |
| C05 | O12 | H11 | 109.5° | 114.0° |
| C18 | C17 | H14 | 120.3° | 120.1° |
| C17 | C18 | H15 | 119.5° | 119.9° |
| C24 | C29 | C28 | 117.9° | 119.9° |
| C29 | C24 | C23 | 122.6° | 120.9° |
| C24 | C29 | H22 | 121.1° | 120.0° |
| C29 | C28 | C27 | 120.3° | 120.0° |
| C29 | C28 | H21 | 119.8° | 120.0° |
| C28 | C29 | H22 | 121.0° | 120.1° |
| C21 | N22 | C23 | 109.5° | 113.8° |
| C21 | N22 | C32 | 126.6° | 123.1° |
| C24 | C23 | N22 | 110.1° | 110.2° |
| C24 | C23 | C26 | 119.5° | 118.6° |
| O03 | C04 | C08 | 108.7° | 109.5° |
| O03 | C04 | H2 | 110.1° | 109.5° |
| C04 | C08 | O09 | 110.1° | 109.5° |
| C08 | C04 | H2 | 108.4° | 109.5° |
| C04 | C08 | H6 | 109.3° | 109.5° |
| C04 | C08 | H7 | 109.3° | 109.5° |
| C37 | C36 | C35 | 118.8° | 109.5° |
| C37 | C36 | H37 | 107.1° | 109.5° |
| C37 | C36 | H38 | 107.1° | 109.5° |
| C36 | C37 | H39 | 107.4° | 109.5° |
| C36 | C37 | H40 | 107.4° | 109.5° |
| C28 | C27 | C26 | 120.6° | 120.5° |
| C28 | C27 | H20 | 119.7° | 119.7° |
| C27 | C28 | H21 | 119.9° | 120.0° |
| C23 | N22 | C32 | 118.9° | 123.1° |
| N22 | C23 | C26 | 130.3° | 131.2° |
| N22 | C32 | C33 | 111.0° | 109.4° |
| N22 | C32 | H29 | 109.1° | 109.5° |
| N22 | C32 | H30 | 109.1° | 109.5° |
| C23 | C26 | C27 | 119.0° | 120.0° |
| C23 | C26 | H19 | 120.5° | 120.0° |
| O09 | C08 | H6 | 109.3° | 109.4° |
| O09 | C08 | H7 | 109.3° | 109.5° |
| C08 | O09 | H8 | 109.5° | 114.1° |
| C36 | C35 | C34 | 111.5° | 109.5° |
| C36 | C35 | H35 | 109.0° | 109.5° |
| C36 | C35 | H36 | 109.0° | 109.4° |
| C35 | C36 | H37 | 107.1° | 109.5° |
| C35 | C36 | H38 | 107.1° | 109.5° |
| C27 | C26 | H19 | 120.5° | 120.0° |
| C26 | C27 | H20 | 119.7° | 119.7° |
| C32 | C33 | C34 | 113.5° | 109.5° |
| C33 | C32 | H29 | 109.1° | 109.5° |
| C33 | C32 | H30 | 109.1° | 109.4° |
| C32 | C33 | H31 | 108.4° | 109.5° |
| C32 | C33 | H32 | 108.5° | 109.5° |
| C33 | C34 | C35 | 113.4° | 109.5° |
| C34 | C33 | H31 | 108.5° | 109.5° |
| C34 | C33 | H32 | 108.5° | 109.4° |
| C33 | C34 | H33 | 108.4° | 109.5° |
| C33 | C34 | H34 | 108.5° | 109.5° |
| C35 | C34 | H33 | 108.5° | 109.5° |
| C35 | C34 | H34 | 108.5° | 109.4° |
| C34 | C35 | H35 | 109.0° | 109.5° |
| C34 | C35 | H36 | 108.9° | 109.5° |
| H6 | C08 | H7 | 109.5° | 109.4° |
| H23 | C30 | H24 | 109.5° | 109.5° |
| H23 | C30 | H25 | 109.5° | 109.4° |
| H24 | C30 | H25 | 109.5° | 109.4° |
| H26 | C31 | H27 | 109.4° | 109.5° |
| H26 | C31 | H28 | 109.5° | 109.5° |
| H27 | C31 | H28 | 109.5° | 109.4° |
| H29 | C32 | H30 | 109.5° | 109.5° |
| H31 | C33 | H32 | 109.5° | 109.5° |
| H33 | C34 | H34 | 109.5° | 109.5° |
| H35 | C35 | H36 | 109.5° | 109.4° |
| H37 | C36 | H38 | 109.5° | 109.4° |
| H39 | C37 | H40 | 109.5° | 109.5° |
| H41 | C38 | H42 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C07 | C06 | O10 | 70.1° | 63.2° |
| O11 | C07 | C06 | C02 | 121.6° | 119.9° |
| O11 | C07 | C06 | H5 | 119.8° | 120.2° |
| O11 | C07 | C06 | C05 | 171.9° | 176.9° |
| O11 | C07 | C02 | H5 | 117.0° | 120.2° |
| O11 | C07 | C02 | O01 | 76.0° | 62.5° |
| O11 | C07 | C02 | O03 | 169.7° | 177.5° |
| O11 | C07 | C02 | H1 | 44.3° | 57.5° |
| O11 | C07 | C06 | H4 | 52.4° | 57.0° |
| O10 | C06 | C07 | C05 | 118.0° | 119.9° |
| O10 | C06 | C07 | H4 | 122.5° | 120.3° |
| O10 | C06 | C05 | H4 | 121.7° | 120.2° |
| O10 | C06 | C07 | C02 | 168.3° | 176.8° |
| O10 | C06 | C05 | C04 | 176.4° | 176.9° |
| O10 | C06 | C05 | O12 | 57.2° | 57.0° |
| O10 | C06 | C05 | H3 | 63.6° | 63.2° |
| O10 | C06 | C07 | H5 | 49.7° | 56.9° |
| C30 | C25 | C31 | C21 | 122.0° | 123.0° |
| C30 | C25 | C31 | C24 | 125.0° | 123.2° |
| C30 | C25 | C21 | C24 | 118.8° | 118.7° |
| C30 | C25 | C21 | C20 | 63.1° | 61.4° |
| C30 | C25 | C24 | C29 | 61.0° | 61.6° |
| C30 | C25 | C21 | N22 | 122.0° | 118.3° |
| C30 | C25 | C24 | C23 | 121.9° | 118.2° |
| C25 | C30 | H23 | H24 | 120.0° | 120.0° |
| C25 | C30 | H23 | H25 | 120.0° | 120.0° |
| C25 | C30 | H24 | H25 | 119.9° | 120.0° |
| C30 | C25 | C31 | H26 | 180.0° | 176.9° |
| C30 | C25 | C31 | H27 | 60.0° | 57.0° |
| C30 | C25 | C31 | H28 | 60.0° | 63.0° |
| C07 | C06 | C05 | H4 | 119.2° | 119.9° |
| C06 | C07 | C02 | H5 | 118.6° | 119.9° |
| C06 | C07 | C02 | O01 | 159.6° | 177.6° |
| C06 | C07 | C02 | O03 | 45.3° | 57.6° |
| C07 | C06 | C05 | C04 | 57.3° | 57.0° |
| C07 | C06 | C05 | O12 | 61.9° | 62.9° |
| C06 | C07 | C02 | H1 | 80.1° | 62.4° |
| C07 | C06 | C05 | H3 | 177.3° | 176.9° |
| C07 | C06 | O10 | H9 | 180.0° | 60.1° |
| C06 | C07 | O11 | H10 | 180.0° | 180.0° |
| C05 | C06 | C07 | C02 | 50.3° | 57.0° |
| C06 | C05 | C04 | O12 | 116.7° | 119.9° |
| C06 | C05 | C04 | H3 | 120.1° | 120.0° |
| C06 | C05 | O12 | H3 | 119.9° | 120.2° |
| C06 | C05 | C04 | O03 | 62.5° | 57.6° |
| C06 | C05 | C04 | C08 | 177.0° | 177.6° |
| C06 | C05 | C04 | H2 | 58.4° | 62.4° |
| C05 | C06 | C07 | H5 | 68.3° | 62.9° |
| C05 | C06 | O10 | H9 | 62.2° | 179.6° |
| C06 | C05 | O12 | H11 | 180.0° | 60.3° |
| C07 | C02 | O01 | O03 | 118.0° | 119.9° |
| C07 | C02 | O01 | H1 | 118.7° | 120.0° |
| C07 | C02 | O03 | H1 | 124.2° | 120.0° |
| C07 | C02 | O01 | C13 | 145.6° | 175.0° |
| C07 | C02 | O03 | C04 | 49.8° | 61.2° |
| C02 | C07 | C06 | H4 | 69.2° | 62.9° |
| C02 | C07 | O11 | H10 | 54.5° | 60.3° |
| O40 | C39 | C38 | O41 | 178.0° | 179.9° |
| O40 | C39 | C38 | C37 | 126.2° | 0.1° |
| O40 | C39 | C38 | H41 | 113.1° | 120.0° |
| O40 | C39 | C38 | H42 | 5.4° | 120.0° |
| O40 | C39 | O41 | H43 | 0.0° | 0.1° |
| O01 | C02 | O03 | H1 | 123.4° | 120.1° |
| C02 | O01 | C13 | C14 | 2.7° | 0.3° |
| C02 | O01 | C13 | C18 | 176.9° | 180.0° |
| O01 | C02 | O03 | C04 | 162.2° | 178.9° |
| O01 | C02 | C07 | H5 | 41.0° | 57.7° |
| O03 | C02 | O01 | C13 | 96.4° | 65.0° |
| C02 | O03 | C04 | C05 | 59.5° | 61.2° |
| C02 | O03 | C04 | C08 | 179.1° | 178.9° |
| C02 | O03 | C04 | H2 | 60.5° | 58.8° |
| O03 | C02 | C07 | H5 | 73.3° | 62.3° |
| C15 | C14 | C13 | H12 | 180.0° | 180.0° |
| C14 | C15 | C16 | H13 | 180.0° | 180.0° |
| C15 | C14 | C13 | O01 | 179.8° | 180.0° |
| C15 | C14 | C13 | C18 | 0.2° | 0.3° |
| C14 | C15 | C16 | C19 | 174.6° | 180.0° |
| C14 | C15 | C16 | C17 | 0.4° | 0.0° |
| C13 | C14 | C15 | C16 | 0.3° | 0.0° |
| C14 | C13 | O01 | C18 | 179.6° | 179.7° |
| C14 | C13 | C18 | C17 | 0.0° | 0.6° |
| C13 | C14 | C15 | H13 | 179.7° | 179.9° |
| C14 | C13 | C18 | H15 | 180.0° | 179.8° |
| C15 | C16 | C19 | C17 | 174.4° | 180.0° |
| C15 | C16 | C19 | C20 | 2.1° | 180.0° |
| C15 | C16 | C17 | C18 | 0.3° | 0.3° |
| C16 | C15 | C14 | H12 | 179.7° | 180.0° |
| C15 | C16 | C17 | H14 | 179.7° | 180.0° |
| C15 | C16 | C19 | H16 | 177.9° | 0.1° |
| C31 | C25 | C21 | C24 | 119.1° | 118.3° |
| C31 | C25 | C21 | C20 | 59.0° | 61.6° |
| C31 | C25 | C24 | C29 | 63.2° | 61.5° |
| C31 | C25 | C21 | N22 | 116.0° | 118.7° |
| C31 | C25 | C24 | C23 | 113.9° | 118.8° |
| C31 | C25 | C30 | H23 | 180.0° | 59.3° |
| C31 | C25 | C30 | H24 | 60.0° | 179.3° |
| C31 | C25 | C30 | H25 | 60.0° | 60.7° |
| C25 | C31 | H26 | H27 | 120.0° | 120.0° |
| C25 | C31 | H26 | H28 | 120.0° | 120.1° |
| C25 | C31 | H27 | H28 | 120.0° | 120.0° |
| C25 | C21 | C20 | C19 | 153.5° | 2.9° |
| C25 | C21 | C20 | N22 | 173.5° | 179.7° |
| C21 | C25 | C24 | C29 | 178.7° | 179.9° |
| C21 | C25 | C24 | C23 | 4.2° | 0.4° |
| C25 | C21 | N22 | C23 | 1.1° | 0.3° |
| C25 | C21 | N22 | C32 | 153.3° | 179.8° |
| C25 | C21 | C20 | H17 | 26.5° | 177.1° |
| C21 | C25 | C30 | H23 | 57.8° | 177.7° |
| C21 | C25 | C30 | H24 | 62.2° | 57.7° |
| C21 | C25 | C30 | H25 | 177.8° | 62.3° |
| C21 | C25 | C31 | H26 | 58.0° | 60.1° |
| C21 | C25 | C31 | H27 | 178.0° | 180.0° |
| C21 | C25 | C31 | H28 | 62.0° | 60.0° |
| C24 | C25 | C21 | C20 | 178.1° | 179.9° |
| C25 | C24 | C29 | C23 | 176.8° | 179.7° |
| C25 | C24 | C29 | C28 | 175.4° | 179.7° |
| C24 | C25 | C21 | N22 | 3.1° | 0.4° |
| C25 | C24 | C23 | N22 | 3.8° | 0.3° |
| C25 | C24 | C23 | C26 | 172.5° | 179.8° |
| C25 | C24 | C29 | H22 | 4.7° | 0.3° |
| C24 | C25 | C30 | H23 | 54.9° | 63.8° |
| C24 | C25 | C30 | H24 | 174.9° | 56.3° |
| C24 | C25 | C30 | H25 | 65.1° | 176.3° |
| C24 | C25 | C31 | H26 | 55.0° | 53.7° |
| C24 | C25 | C31 | H27 | 65.0° | 66.3° |
| C24 | C25 | C31 | H28 | 175.0° | 173.7° |
| O01 | C13 | C18 | C17 | 179.7° | 179.7° |
| C13 | O01 | C02 | H1 | 26.9° | 55.0° |
| O01 | C13 | C14 | H12 | 0.2° | 0.0° |
| O01 | C13 | C18 | H15 | 0.4° | 0.1° |
| C13 | C18 | C17 | C16 | 0.1° | 0.6° |
| C13 | C18 | C17 | H15 | 180.0° | 179.6° |
| C18 | C13 | C14 | H12 | 179.8° | 179.7° |
| C13 | C18 | C17 | H14 | 179.9° | 179.7° |
| C16 | C19 | C20 | H16 | 180.0° | 179.9° |
| C16 | C19 | C20 | C21 | 162.4° | 174.5° |
| C19 | C16 | C17 | C18 | 174.9° | 179.7° |
| C19 | C16 | C15 | H13 | 5.4° | 0.0° |
| C19 | C16 | C17 | H14 | 5.1° | 0.0° |
| C16 | C19 | C20 | H17 | 17.6° | 5.5° |
| C17 | C16 | C19 | C20 | 172.3° | 0.0° |
| C16 | C17 | C18 | H14 | 180.0° | 179.7° |
| C17 | C16 | C15 | H13 | 179.6° | 180.0° |
| C16 | C17 | C18 | H15 | 179.9° | 179.8° |
| C17 | C16 | C19 | H16 | 7.7° | 179.9° |
| C19 | C20 | C21 | H17 | 180.0° | 180.0° |
| C19 | C20 | C21 | N22 | 33.0° | 176.7° |
| C20 | C21 | N22 | C23 | 175.2° | 180.0° |
| C20 | C21 | N22 | C32 | 20.8° | 0.1° |
| C21 | C20 | C19 | H16 | 17.7° | 5.4° |
| C39 | C38 | C37 | H41 | 120.7° | 119.9° |
| C39 | C38 | C37 | H42 | 120.7° | 120.1° |
| C39 | C38 | C37 | C36 | 109.2° | 179.9° |
| C39 | C38 | C37 | H39 | 129.6° | 60.1° |
| C39 | C38 | C37 | H40 | 12.0° | 59.9° |
| C39 | C38 | H41 | H42 | 117.8° | 120.0° |
| C38 | C39 | O41 | H43 | 177.9° | 180.0° |
| C37 | C38 | C39 | O41 | 51.9° | 180.0° |
| C38 | C37 | C36 | H39 | 121.2° | 119.9° |
| C38 | C37 | C36 | H40 | 121.2° | 120.1° |
| C38 | C37 | C36 | C35 | 64.3° | 179.9° |
| C38 | C37 | C36 | H37 | 57.0° | 60.0° |
| C38 | C37 | C36 | H38 | 174.3° | 59.9° |
| C38 | C37 | H39 | H40 | 116.2° | 120.0° |
| C37 | C38 | H41 | H42 | 117.9° | 120.0° |
| O41 | C39 | C38 | H41 | 68.8° | 60.1° |
| O41 | C39 | C38 | H42 | 172.6° | 59.9° |
| C04 | C05 | O12 | H3 | 122.3° | 120.1° |
| C05 | C04 | O03 | C08 | 121.4° | 119.9° |
| C05 | C04 | O03 | H2 | 120.0° | 120.0° |
| C05 | C04 | C08 | H2 | 118.7° | 120.0° |
| C05 | C04 | C08 | O09 | 64.3° | 175.0° |
| C04 | C05 | C06 | H4 | 61.9° | 62.9° |
| C05 | C04 | C08 | H6 | 55.7° | 55.1° |
| C05 | C04 | C08 | H7 | 175.6° | 64.9° |
| C04 | C05 | O12 | H11 | 62.2° | 180.0° |
| O12 | C05 | C04 | O03 | 54.2° | 62.3° |
| O12 | C05 | C04 | C08 | 66.3° | 57.6° |
| O12 | C05 | C04 | H2 | 175.1° | 177.7° |
| O12 | C05 | C06 | H4 | 178.9° | 177.2° |
| C24 | C29 | C28 | H22 | 180.0° | 180.0° |
| C24 | C29 | C28 | C27 | 1.7° | 0.0° |
| C29 | C24 | C23 | N22 | 178.9° | 180.0° |
| C29 | C24 | C23 | C26 | 4.8° | 0.0° |
| C24 | C29 | C28 | H21 | 178.3° | 180.0° |
| C28 | C29 | C24 | C23 | 1.4° | 0.0° |
| C29 | C28 | C27 | H21 | 180.0° | 180.0° |
| C29 | C28 | C27 | C26 | 1.5° | 0.0° |
| C29 | C28 | C27 | H20 | 178.5° | 179.9° |
| C21 | N22 | C23 | C24 | 1.6° | 0.0° |
| C21 | N22 | C23 | C32 | 156.7° | 180.0° |
| C21 | N22 | C23 | C26 | 174.2° | 179.9° |
| C21 | N22 | C32 | C33 | 105.1° | 114.3° |
| N22 | C21 | C20 | H17 | 147.0° | 3.3° |
| C21 | N22 | C32 | H29 | 134.7° | 125.7° |
| C21 | N22 | C32 | H30 | 15.1° | 5.6° |
| C24 | C23 | N22 | C26 | 175.8° | 179.9° |
| C24 | C23 | N22 | C32 | 158.3° | 180.0° |
| C24 | C23 | C26 | C27 | 4.8° | 0.0° |
| C24 | C23 | C26 | H19 | 175.2° | 180.0° |
| C23 | C24 | C29 | H22 | 178.5° | 180.0° |
| O03 | C04 | C08 | H2 | 119.6° | 120.1° |
| O03 | C04 | C08 | O09 | 174.0° | 65.0° |
| C04 | O03 | C02 | H1 | 74.4° | 58.8° |
| O03 | C04 | C05 | H3 | 177.4° | 177.6° |
| O03 | C04 | C08 | H6 | 66.0° | 175.0° |
| O03 | C04 | C08 | H7 | 53.9° | 55.0° |
| C04 | C08 | O09 | H6 | 120.1° | 120.0° |
| C04 | C08 | O09 | H7 | 120.1° | 120.1° |
| C08 | C04 | C05 | H3 | 56.9° | 62.5° |
| C04 | C08 | H6 | H7 | 119.7° | 120.1° |
| C04 | C08 | O09 | H8 | 180.0° | 180.0° |
| C37 | C36 | C35 | H37 | 121.3° | 120.1° |
| C37 | C36 | C35 | H38 | 121.3° | 120.0° |
| C37 | C36 | C35 | C34 | 129.9° | 180.0° |
| C37 | C36 | C35 | H35 | 109.7° | 59.9° |
| C37 | C36 | C35 | H36 | 9.7° | 60.0° |
| C37 | C36 | H37 | H38 | 115.8° | 120.0° |
| C36 | C37 | H39 | H40 | 116.3° | 120.0° |
| C36 | C37 | C38 | H41 | 11.5° | 60.0° |
| C36 | C37 | C38 | H42 | 130.1° | 60.0° |
| C28 | C27 | C26 | C23 | 1.8° | 0.0° |
| C28 | C27 | C26 | H20 | 180.0° | 180.0° |
| C28 | C27 | C26 | H19 | 178.2° | 180.0° |
| C27 | C28 | C29 | H22 | 178.3° | 180.0° |
| N22 | C23 | C26 | C27 | 179.7° | 179.9° |
| C23 | N22 | C32 | C33 | 102.6° | 65.7° |
| N22 | C23 | C26 | H19 | 0.3° | 0.1° |
| C23 | N22 | C32 | H29 | 17.6° | 54.2° |
| C23 | N22 | C32 | H30 | 137.2° | 174.3° |
| C32 | N22 | C23 | C26 | 17.5° | 0.0° |
| N22 | C32 | C33 | H29 | 120.2° | 120.0° |
| N22 | C32 | C33 | H30 | 120.2° | 120.0° |
| N22 | C32 | C33 | C34 | 165.0° | 180.0° |
| N22 | C32 | H29 | H30 | 119.3° | 120.1° |
| N22 | C32 | C33 | H31 | 44.4° | 60.0° |
| N22 | C32 | C33 | H32 | 74.4° | 60.1° |
| C23 | C26 | C27 | H19 | 180.0° | 180.0° |
| C23 | C26 | C27 | H20 | 178.2° | 179.9° |
| O09 | C08 | C04 | H2 | 54.4° | 55.0° |
| O09 | C08 | H6 | H7 | 119.7° | 120.0° |
| C36 | C35 | C34 | C33 | 73.7° | NaN° |
| C36 | C35 | C34 | H35 | 120.3° | 120.1° |
| C36 | C35 | C34 | H36 | 120.3° | 120.0° |
| C36 | C35 | C34 | H33 | 165.8° | 60.0° |
| C36 | C35 | C34 | H34 | 46.9° | 60.0° |
| C36 | C35 | H35 | H36 | 119.1° | 119.9° |
| C35 | C36 | H37 | H38 | 115.8° | 120.0° |
| C35 | C36 | C37 | H39 | 174.5° | 60.0° |
| C35 | C36 | C37 | H40 | 56.9° | 60.0° |
| C26 | C27 | C28 | H21 | 178.5° | 180.0° |
| C32 | C33 | C34 | H31 | 120.6° | 120.0° |
| C32 | C33 | C34 | H32 | 120.6° | 119.9° |
| C32 | C33 | C34 | C35 | 154.1° | 180.0° |
| C33 | C32 | H29 | H30 | 119.3° | 120.0° |
| C32 | C33 | H31 | H32 | 118.1° | 120.0° |
| C32 | C33 | C34 | H33 | 85.3° | 60.0° |
| C32 | C33 | C34 | H34 | 33.5° | 60.0° |
| C33 | C34 | C35 | H33 | 120.5° | 120.0° |
| C33 | C34 | C35 | H34 | 120.5° | 120.0° |
| C34 | C33 | C32 | H29 | 74.8° | 60.0° |
| C34 | C33 | C32 | H30 | 44.7° | 60.0° |
| C34 | C33 | H31 | H32 | 118.2° | 120.0° |
| C33 | C34 | H33 | H34 | 118.2° | 120.0° |
| C33 | C34 | C35 | H35 | 166.0° | 59.9° |
| C33 | C34 | C35 | H36 | 46.6° | 60.0° |
| C35 | C34 | C33 | H31 | 33.5° | 60.0° |
| C35 | C34 | C33 | H32 | 85.3° | 60.0° |
| C35 | C34 | H33 | H34 | 118.3° | 119.9° |
| C34 | C35 | H35 | H36 | 119.0° | 120.0° |
| C34 | C35 | C36 | H37 | 8.6° | 59.9° |
| C34 | C35 | C36 | H38 | 108.7° | 60.0° |
| H1 | C02 | C07 | H5 | 161.3° | 177.7° |
| H2 | C04 | C05 | H3 | 61.7° | 57.6° |
| H2 | C04 | C08 | H6 | 174.4° | 64.9° |
| H2 | C04 | C08 | H7 | 65.8° | 175.0° |
| H3 | C05 | C06 | H4 | 58.1° | 57.0° |
| H3 | C05 | O12 | H11 | 60.2° | 59.9° |
| H4 | C06 | C07 | H5 | 172.2° | 177.2° |
| H4 | C06 | O10 | H9 | 58.6° | 60.2° |
| H5 | C07 | O11 | H10 | 61.3° | 59.9° |
| H6 | C08 | O09 | H8 | 59.9° | 60.0° |
| H7 | C08 | O09 | H8 | 59.9° | 59.9° |
| H12 | C14 | C15 | H13 | 0.3° | 0.0° |
| H14 | C17 | C18 | H15 | 0.1° | 0.1° |
| H16 | C19 | C20 | H17 | 162.3° | 174.6° |
| H19 | C26 | C27 | H20 | 1.8° | 0.0° |
| H20 | C27 | C28 | H21 | 1.5° | 0.0° |
| H21 | C28 | C29 | H22 | 1.7° | 0.0° |
| H23 | C30 | H24 | H25 | 120.0° | 119.9° |
| H26 | C31 | H27 | H28 | 120.0° | 120.0° |
| H29 | C32 | C33 | H31 | 164.6° | 180.0° |
| H29 | C32 | C33 | H32 | 45.8° | 59.9° |
| H30 | C32 | C33 | H31 | 75.9° | 60.0° |
| H30 | C32 | C33 | H32 | 165.4° | 180.0° |
| H31 | C33 | C34 | H33 | 154.1° | 180.0° |
| H31 | C33 | C34 | H34 | 87.1° | 60.0° |
| H32 | C33 | C34 | H33 | 35.3° | 60.0° |
| H32 | C33 | C34 | H34 | 154.1° | 180.0° |
| H33 | C34 | C35 | H35 | 45.4° | 180.0° |
| H33 | C34 | C35 | H36 | 73.9° | 60.0° |
| H34 | C34 | C35 | H35 | 73.5° | 60.1° |
| H34 | C34 | C35 | H36 | 167.2° | 180.0° |
| H35 | C35 | C36 | H37 | 129.0° | 180.0° |
| H35 | C35 | C36 | H38 | 11.6° | 60.0° |
| H36 | C35 | C36 | H37 | 111.7° | 60.1° |
| H36 | C35 | C36 | H38 | 131.0° | 180.0° |
| H37 | C36 | C37 | H39 | 64.2° | 179.9° |
| H37 | C36 | C37 | H40 | 178.2° | 60.0° |
| H38 | C36 | C37 | H39 | 53.2° | 60.0° |
| H38 | C36 | C37 | H40 | 64.5° | 180.0° |
| H39 | C37 | C38 | H41 | 109.7° | 180.0° |
| H39 | C37 | C38 | H42 | 8.9° | 60.0° |
| H40 | C37 | C38 | H41 | 132.7° | 60.0° |
| H40 | C37 | C38 | H42 | 108.7° | 180.0° |
