O7V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O41 | C29 | doub | 1.21Å | 1.24Å | |
| O28 | C29 | sing | 1.35Å | 1.37Å | |
| O28 | C27 | sing | 1.45Å | 1.43Å | |
| C29 | N30 | sing | 1.35Å | 1.39Å | |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C25 | C27 | sing | 1.53Å | 1.55Å | |
| C25 | C24 | sing | 1.53Å | 1.55Å | |
| C22 | C24 | sing | 1.53Å | 1.56Å | |
| C22 | C21 | sing | 1.51Å | 1.52Å | |
| N30 | C31 | sing | 1.40Å | 1.39Å | |
| C24 | O42 | sing | 1.45Å | 1.42Å | |
| C32 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| C32 | C33 | sing | 1.40Å | 1.41Å | Aromatic |
| C34 | C33 | doub | 1.40Å | 1.41Å | Aromatic |
| C34 | C35 | sing | 1.36Å | 1.39Å | Aromatic |
| O42 | C43 | sing | 1.33Å | 1.34Å | |
| C31 | N40 | sing | 1.33Å | 1.35Å | Aromatic |
| C33 | C38 | sing | 1.42Å | 1.43Å | Aromatic |
| C21 | C20 | doub | 1.33Å | 1.35Å | |
| C35 | C36 | doub | 1.39Å | 1.39Å | Aromatic |
| C43 | C44 | sing | 1.51Å | 1.51Å | |
| C43 | O51 | doub | 1.21Å | 1.23Å | |
| C45 | C44 | sing | 1.54Å | 1.54Å | |
| C45 | C46 | sing | 1.54Å | 1.50Å | |
| C44 | N48 | sing | 1.47Å | 1.47Å | |
| N40 | C39 | doub | 1.31Å | 1.35Å | Aromatic |
| C20 | C19 | sing | 1.47Å | 1.44Å | |
| C38 | C39 | sing | 1.40Å | 1.41Å | Aromatic |
| C38 | C37 | doub | 1.40Å | 1.41Å | Aromatic |
| C36 | C37 | sing | 1.36Å | 1.39Å | Aromatic |
| C46 | C47 | sing | 1.53Å | 1.51Å | |
| O50 | C49 | doub | 1.22Å | 1.23Å | |
| N48 | C49 | sing | 1.33Å | 1.36Å | |
| N48 | C47 | sing | 1.47Å | 1.46Å | |
| C19 | N18 | sing | 1.36Å | 1.34Å | |
| C19 | O52 | doub | 1.22Å | 1.23Å | |
| N18 | C17 | sing | 1.48Å | 1.45Å | |
| C49 | C08 | sing | 1.46Å | 1.43Å | |
| C17 | C16 | sing | 1.51Å | 1.51Å | |
| C08 | C09 | doub | 1.36Å | 1.39Å | Aromatic |
| C08 | N07 | sing | 1.37Å | 1.32Å | Aromatic |
| C16 | C15 | doub | 1.33Å | 1.35Å | |
| C09 | O10 | sing | 1.34Å | 1.35Å | Aromatic |
| N07 | C06 | doub | 1.30Å | 1.30Å | Aromatic |
| C14 | C13 | sing | 1.51Å | 1.51Å | |
| C15 | C13 | sing | 1.47Å | 1.46Å | |
| O10 | C06 | sing | 1.33Å | 1.35Å | Aromatic |
| C06 | C55 | sing | 1.51Å | 1.50Å | |
| C13 | C12 | doub | 1.33Å | 1.35Å | |
| F19 | C54 | sing | 1.40Å | 1.33Å | |
| C54 | C55 | sing | 1.53Å | 1.54Å | |
| C54 | C53 | sing | 1.52Å | 1.53Å | |
| C12 | C02 | sing | 1.51Å | 1.52Å | |
| C02 | C53 | sing | 1.53Å | 1.52Å | |
| C02 | O01 | sing | 1.43Å | 1.40Å | |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C26 | H8 | sing | 1.09Å | 1.10Å | |
| C26 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| O01 | H11 | sing | 0.97Å | 0.95Å | |
| C02 | H12 | sing | 1.09Å | 1.10Å | |
| C09 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| N18 | H19 | sing | 0.97Å | 1.00Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| N30 | H26 | sing | 0.97Å | 1.00Å | |
| C32 | H27 | sing | 1.08Å | 1.08Å | |
| C34 | H28 | sing | 1.08Å | 1.08Å | |
| C35 | H29 | sing | 1.08Å | 1.08Å | |
| C36 | H30 | sing | 1.08Å | 1.08Å | |
| C37 | H31 | sing | 1.08Å | 1.08Å | |
| C39 | H32 | sing | 1.08Å | 1.08Å | |
| C44 | H33 | sing | 1.09Å | 1.10Å | |
| C45 | H34 | sing | 1.09Å | 1.10Å | |
| C45 | H35 | sing | 1.09Å | 1.10Å | |
| C46 | H36 | sing | 1.09Å | 1.10Å | |
| C46 | H37 | sing | 1.09Å | 1.10Å | |
| C47 | H38 | sing | 1.09Å | 1.10Å | |
| C47 | H39 | sing | 1.09Å | 1.10Å | |
| C53 | H40 | sing | 1.09Å | 1.10Å | |
| C53 | H41 | sing | 1.09Å | 1.10Å | |
| C54 | H42 | sing | 1.09Å | 1.10Å | |
| C55 | H43 | sing | 1.09Å | 1.10Å | |
| C55 | H44 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O41 | C29 | O28 | 121.1° | 120.0° |
| O41 | C29 | N30 | 126.2° | 120.0° |
| C29 | O28 | C27 | 124.8° | 117.0° |
| O28 | C29 | N30 | 112.8° | 120.0° |
| O28 | C27 | C25 | 113.8° | 109.5° |
| O28 | C27 | H24 | 108.4° | 109.5° |
| O28 | C27 | H25 | 108.4° | 109.5° |
| C29 | N30 | C31 | 129.5° | 120.0° |
| C29 | N30 | H26 | 115.2° | 120.0° |
| C26 | C25 | C27 | 111.2° | 109.5° |
| C26 | C25 | C24 | 110.9° | 109.4° |
| C25 | C26 | H8 | 109.5° | 109.5° |
| C25 | C26 | H9 | 109.5° | 109.5° |
| C25 | C26 | H10 | 109.5° | 109.4° |
| C26 | C25 | H23 | 108.2° | 109.5° |
| C23 | C22 | C24 | 113.9° | 109.6° |
| C23 | C22 | C21 | 109.2° | 109.6° |
| C23 | C22 | H6 | 107.2° | 109.7° |
| C22 | C23 | H20 | 109.5° | 109.4° |
| C22 | C23 | H21 | 109.5° | 109.5° |
| C22 | C23 | H22 | 109.5° | 109.5° |
| C27 | C25 | C24 | 110.4° | 109.5° |
| C27 | C25 | H23 | 108.1° | 109.5° |
| C25 | C27 | H24 | 108.4° | 109.5° |
| C25 | C27 | H25 | 108.4° | 109.5° |
| C25 | C24 | C22 | 118.1° | 109.3° |
| C25 | C24 | O42 | 108.3° | 109.3° |
| C25 | C24 | H7 | 106.8° | 109.1° |
| C24 | C25 | H23 | 108.0° | 109.5° |
| C24 | C22 | C21 | 111.7° | 108.9° |
| C22 | C24 | O42 | 108.1° | 110.5° |
| C24 | C22 | H6 | 107.0° | 109.5° |
| C22 | C24 | H7 | 106.8° | 109.3° |
| C22 | C21 | C20 | 125.3° | 120.7° |
| C22 | C21 | H5 | 117.4° | 120.2° |
| C21 | C22 | H6 | 107.5° | 109.5° |
| N30 | C31 | C32 | 123.1° | 119.2° |
| N30 | C31 | N40 | 113.7° | 119.2° |
| C31 | N30 | H26 | 115.3° | 120.0° |
| C24 | O42 | C43 | 121.2° | 117.6° |
| O42 | C24 | H7 | 108.4° | 109.3° |
| C31 | C32 | C33 | 119.0° | 118.6° |
| C32 | C31 | N40 | 123.2° | 121.5° |
| C31 | C32 | H27 | 120.5° | 120.7° |
| C32 | C33 | C34 | 122.0° | 122.2° |
| C32 | C33 | C38 | 118.8° | 118.3° |
| C33 | C32 | H27 | 120.5° | 120.7° |
| C33 | C34 | C35 | 120.0° | 119.5° |
| C34 | C33 | C38 | 119.2° | 119.6° |
| C33 | C34 | H28 | 120.0° | 120.3° |
| C34 | C35 | C36 | 120.5° | 121.0° |
| C35 | C34 | H28 | 120.0° | 120.2° |
| C34 | C35 | H29 | 119.7° | 119.5° |
| O42 | C43 | C44 | 110.1° | 123.0° |
| O42 | C43 | O51 | 125.7° | 118.5° |
| C31 | N40 | C39 | 117.8° | 122.7° |
| C33 | C38 | C39 | 117.1° | 118.8° |
| C33 | C38 | C37 | 119.6° | 119.3° |
| C21 | C20 | C19 | 125.8° | 119.7° |
| C21 | C20 | H4 | 117.1° | 120.5° |
| C20 | C21 | H5 | 117.4° | 119.0° |
| C35 | C36 | C37 | 121.0° | 121.1° |
| C36 | C35 | H29 | 119.7° | 119.5° |
| C35 | C36 | H30 | 119.5° | 119.4° |
| C44 | C43 | O51 | 124.2° | 118.5° |
| C43 | C44 | C45 | 110.6° | 109.4° |
| C43 | C44 | N48 | 117.3° | 109.4° |
| C43 | C44 | H33 | 108.3° | 109.7° |
| C44 | C45 | C46 | 104.6° | 104.7° |
| C45 | C44 | N48 | 103.5° | 107.6° |
| C45 | C44 | H33 | 107.9° | 111.5° |
| C44 | C45 | H34 | 110.7° | 110.4° |
| C44 | C45 | H35 | 110.7° | 110.4° |
| C45 | C46 | C47 | 101.2° | 106.5° |
| C46 | C45 | H34 | 110.6° | 110.4° |
| C46 | C45 | H35 | 110.7° | 110.4° |
| C45 | C46 | H36 | 111.5° | 110.1° |
| C45 | C46 | H37 | 111.5° | 110.0° |
| C44 | N48 | C49 | 123.2° | 124.6° |
| C44 | N48 | C47 | 109.8° | 108.8° |
| N48 | C44 | H33 | 108.8° | 109.3° |
| N40 | C39 | C38 | 124.3° | 120.1° |
| N40 | C39 | H32 | 117.9° | 120.0° |
| C20 | C19 | N18 | 116.9° | 119.5° |
| C20 | C19 | O52 | 120.8° | 120.2° |
| C19 | C20 | H4 | 117.1° | 119.7° |
| C39 | C38 | C37 | 123.3° | 121.9° |
| C38 | C39 | H32 | 117.9° | 120.0° |
| C38 | C37 | C36 | 119.7° | 119.6° |
| C38 | C37 | H31 | 120.1° | 120.3° |
| C37 | C36 | H30 | 119.5° | 119.5° |
| C36 | C37 | H31 | 120.2° | 120.2° |
| C46 | C47 | N48 | 105.3° | 107.9° |
| C47 | C46 | H36 | 111.5° | 110.1° |
| C47 | C46 | H37 | 111.5° | 110.1° |
| C46 | C47 | H38 | 110.5° | 109.8° |
| C46 | C47 | H39 | 110.5° | 109.8° |
| O50 | C49 | N48 | 122.8° | 116.9° |
| O50 | C49 | C08 | 120.0° | 116.9° |
| C49 | N48 | C47 | 126.8° | 126.6° |
| N48 | C49 | C08 | 117.2° | 126.2° |
| N48 | C47 | H38 | 110.5° | 109.8° |
| N48 | C47 | H39 | 110.5° | 109.8° |
| N18 | C19 | O52 | 122.3° | 120.2° |
| C19 | N18 | C17 | 125.5° | 116.6° |
| C19 | N18 | H19 | 117.3° | 121.7° |
| N18 | C17 | C16 | 112.6° | 107.5° |
| N18 | C17 | H2 | 108.7° | 109.9° |
| N18 | C17 | H3 | 108.7° | 109.9° |
| C17 | N18 | H19 | 117.3° | 121.6° |
| C49 | C08 | C09 | 126.8° | 128.8° |
| C49 | C08 | N07 | 124.3° | 124.2° |
| C17 | C16 | C15 | 124.7° | 121.1° |
| C16 | C17 | H2 | 108.7° | 109.9° |
| C16 | C17 | H3 | 108.7° | 109.8° |
| C17 | C16 | H18 | 117.6° | 119.2° |
| C09 | C08 | N07 | 108.6° | 106.9° |
| C08 | C09 | O10 | 107.9° | 107.2° |
| C08 | C09 | H13 | 126.1° | 126.4° |
| C08 | N07 | C06 | 105.6° | 108.0° |
| C16 | C15 | C13 | 125.1° | 119.9° |
| C16 | C15 | H1 | 117.5° | 120.0° |
| C15 | C16 | H18 | 117.6° | 119.7° |
| C09 | O10 | C06 | 103.1° | 108.2° |
| O10 | C09 | H13 | 126.0° | 126.4° |
| N07 | C06 | O10 | 114.2° | 109.6° |
| N07 | C06 | C55 | 126.0° | 123.6° |
| C14 | C13 | C15 | 120.3° | 119.9° |
| C14 | C13 | C12 | 121.7° | 120.0° |
| C13 | C14 | H15 | 109.5° | 109.5° |
| C13 | C14 | H16 | 109.5° | 109.4° |
| C13 | C14 | H17 | 109.5° | 109.5° |
| C15 | C13 | C12 | 117.9° | 120.1° |
| C13 | C15 | H1 | 117.5° | 120.1° |
| O10 | C06 | C55 | 119.8° | 126.8° |
| C06 | C55 | C54 | 112.8° | 108.2° |
| C06 | C55 | H43 | 108.6° | 109.7° |
| C06 | C55 | H44 | 108.7° | 109.7° |
| C13 | C12 | C02 | 128.2° | 120.5° |
| C13 | C12 | H14 | 115.9° | 119.8° |
| F19 | C54 | C55 | 110.0° | 109.2° |
| F19 | C54 | C53 | 110.9° | 109.2° |
| F19 | C54 | H42 | 109.3° | 109.2° |
| C55 | C54 | C53 | 113.1° | 110.8° |
| C55 | C54 | H42 | 106.6° | 109.2° |
| C54 | C55 | H43 | 108.7° | 109.7° |
| C54 | C55 | H44 | 108.6° | 109.7° |
| C54 | C53 | C02 | 113.4° | 110.6° |
| C54 | C53 | H40 | 108.5° | 109.3° |
| C54 | C53 | H41 | 108.5° | 109.2° |
| C53 | C54 | H42 | 106.7° | 109.2° |
| C12 | C02 | C53 | 114.0° | 110.1° |
| C12 | C02 | O01 | 106.5° | 109.4° |
| C12 | C02 | H12 | 109.7° | 109.3° |
| C02 | C12 | H14 | 115.9° | 119.8° |
| C53 | C02 | O01 | 105.7° | 109.4° |
| C53 | C02 | H12 | 109.5° | 109.3° |
| C02 | C53 | H40 | 108.5° | 109.3° |
| C02 | C53 | H41 | 108.5° | 109.2° |
| C02 | O01 | H11 | 109.5° | 114.0° |
| O01 | C02 | H12 | 111.4° | 109.2° |
| H2 | C17 | H3 | 109.5° | 109.9° |
| H8 | C26 | H9 | 109.5° | 109.5° |
| H8 | C26 | H10 | 109.4° | 109.5° |
| H9 | C26 | H10 | 109.5° | 109.5° |
| H15 | C14 | H16 | 109.5° | 109.4° |
| H15 | C14 | H17 | 109.4° | 109.5° |
| H16 | C14 | H17 | 109.5° | 109.5° |
| H20 | C23 | H21 | 109.5° | 109.5° |
| H20 | C23 | H22 | 109.5° | 109.4° |
| H21 | C23 | H22 | 109.5° | 109.5° |
| H24 | C27 | H25 | 109.5° | 109.4° |
| H34 | C45 | H35 | 109.5° | 110.4° |
| H36 | C46 | H37 | 109.4° | 110.0° |
| H38 | C47 | H39 | 109.4° | 109.8° |
| H40 | C53 | H41 | 109.5° | 109.2° |
| H43 | C55 | H44 | 109.4° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O41 | C29 | O28 | N30 | 178.5° | 179.9° |
| O41 | C29 | O28 | C27 | 176.8° | 0.1° |
| O41 | C29 | N30 | C31 | 8.5° | 5.4° |
| O41 | C29 | N30 | H26 | 171.5° | 174.5° |
| C29 | O28 | C27 | C25 | 146.4° | 180.0° |
| O28 | C29 | N30 | C31 | 169.9° | 174.5° |
| C29 | O28 | C27 | H24 | 25.7° | 59.9° |
| C29 | O28 | C27 | H25 | 93.0° | 60.0° |
| O28 | C29 | N30 | H26 | 10.2° | 5.6° |
| C27 | O28 | C29 | N30 | 4.7° | 180.0° |
| O28 | C27 | C25 | C26 | 53.1° | 97.9° |
| O28 | C27 | C25 | H24 | 120.6° | 120.0° |
| O28 | C27 | C25 | H25 | 120.6° | 120.0° |
| O28 | C27 | C25 | C24 | 176.6° | 142.2° |
| O28 | C27 | C25 | H23 | 65.4° | 22.2° |
| O28 | C27 | H24 | H25 | 118.0° | 119.9° |
| C29 | N30 | C31 | H26 | 180.0° | 179.9° |
| C29 | N30 | C31 | C32 | 30.4° | 174.5° |
| C29 | N30 | C31 | N40 | 148.4° | 5.4° |
| C26 | C25 | C27 | C24 | 123.5° | 120.0° |
| C26 | C25 | C27 | H23 | 118.6° | 120.0° |
| C26 | C25 | C24 | H23 | 118.3° | 120.0° |
| C26 | C25 | C24 | C22 | 62.6° | 52.6° |
| C26 | C25 | C24 | O42 | 174.2° | 68.5° |
| C26 | C25 | C24 | H7 | 57.6° | 172.0° |
| C25 | C26 | H8 | H9 | 120.0° | 120.0° |
| C25 | C26 | H8 | H10 | 120.0° | 120.0° |
| C25 | C26 | H9 | H10 | 120.0° | 120.0° |
| C26 | C25 | C27 | H24 | 67.5° | 142.1° |
| C26 | C25 | C27 | H25 | 173.8° | 22.2° |
| C23 | C22 | C24 | C25 | 58.1° | 136.7° |
| C23 | C22 | C24 | C21 | 124.3° | 119.9° |
| C23 | C22 | C24 | H6 | 118.3° | 120.3° |
| C23 | C22 | C21 | H6 | 116.0° | 120.4° |
| C23 | C22 | C24 | O42 | 65.3° | 102.9° |
| C23 | C22 | C21 | C20 | 145.2° | 109.3° |
| C23 | C22 | C21 | H5 | 34.8° | 73.8° |
| C23 | C22 | C24 | H7 | 178.3° | 17.4° |
| C22 | C23 | H20 | H21 | 120.0° | 120.0° |
| C22 | C23 | H20 | H22 | 120.0° | 120.0° |
| C22 | C23 | H21 | H22 | 120.0° | 120.1° |
| C27 | C25 | C24 | H23 | 118.0° | 120.0° |
| C27 | C25 | C24 | C22 | 173.7° | 67.4° |
| C27 | C25 | C24 | O42 | 50.5° | 171.5° |
| C27 | C25 | C24 | H7 | 66.1° | 52.0° |
| C27 | C25 | C26 | H8 | 180.0° | 68.1° |
| C27 | C25 | C26 | H9 | 60.0° | 171.9° |
| C27 | C25 | C26 | H10 | 60.0° | 51.9° |
| C25 | C27 | H24 | H25 | 118.0° | 120.0° |
| C25 | C24 | C22 | O42 | 123.3° | 120.3° |
| C25 | C24 | C22 | H7 | 120.2° | 119.4° |
| C25 | C24 | C22 | C21 | 177.6° | 16.9° |
| C25 | C24 | O42 | H7 | 115.5° | 119.4° |
| C25 | C24 | O42 | C43 | 131.6° | 22.2° |
| C25 | C24 | C22 | H6 | 60.2° | 102.9° |
| C24 | C25 | C26 | H8 | 56.7° | 51.9° |
| C24 | C25 | C26 | H9 | 176.8° | 68.1° |
| C24 | C25 | C26 | H10 | 63.2° | 171.9° |
| C24 | C25 | C27 | H24 | 56.0° | 22.2° |
| C24 | C25 | C27 | H25 | 62.7° | 97.8° |
| C24 | C22 | C21 | H6 | 117.0° | 119.8° |
| C22 | C24 | O42 | H7 | 115.4° | 120.3° |
| C22 | C24 | O42 | C43 | 99.3° | 142.5° |
| C24 | C22 | C21 | C20 | 87.9° | 130.9° |
| C24 | C22 | C21 | H5 | 92.1° | 46.1° |
| C24 | C22 | C23 | H20 | 180.0° | 60.0° |
| C24 | C22 | C23 | H21 | 60.0° | 179.9° |
| C24 | C22 | C23 | H22 | 60.0° | 60.0° |
| C22 | C24 | C25 | H23 | 55.7° | 172.6° |
| C21 | C22 | C24 | O42 | 59.1° | 137.2° |
| C22 | C21 | C20 | H5 | 180.0° | 177.0° |
| C22 | C21 | C20 | C19 | 177.7° | 172.3° |
| C22 | C21 | C20 | H4 | 2.3° | 7.7° |
| C21 | C22 | C24 | H7 | 57.4° | 102.5° |
| C21 | C22 | C23 | H20 | 54.3° | 179.4° |
| C21 | C22 | C23 | H21 | 65.7° | 60.6° |
| C21 | C22 | C23 | H22 | 174.3° | 59.5° |
| N30 | C31 | C32 | N40 | 178.7° | 179.8° |
| N30 | C31 | C32 | C33 | 178.2° | 180.0° |
| N30 | C31 | N40 | C39 | 177.8° | 179.7° |
| N30 | C31 | C32 | H27 | 1.8° | 0.0° |
| C24 | O42 | C43 | C44 | 170.6° | 172.3° |
| C24 | O42 | C43 | O51 | 6.2° | 7.7° |
| O42 | C24 | C22 | H6 | 176.4° | 17.4° |
| O42 | C24 | C25 | H23 | 67.5° | 51.5° |
| C31 | C32 | C33 | H27 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 179.5° | 179.9° |
| C31 | C32 | C33 | C38 | 0.0° | 0.0° |
| C32 | C31 | N40 | C39 | 0.9° | 0.4° |
| C32 | C31 | N30 | H26 | 149.6° | 5.4° |
| C32 | C33 | C34 | C38 | 179.4° | 180.0° |
| C32 | C33 | C34 | C35 | 179.6° | 179.9° |
| C33 | C32 | C31 | N40 | 0.4° | 0.2° |
| C32 | C33 | C38 | C39 | 0.0° | 0.0° |
| C32 | C33 | C38 | C37 | 179.6° | 180.0° |
| C32 | C33 | C34 | H28 | 0.4° | 0.0° |
| C33 | C34 | C35 | H28 | 180.0° | 179.9° |
| C33 | C34 | C35 | C36 | 0.5° | 0.1° |
| C34 | C33 | C38 | C39 | 179.4° | 180.0° |
| C34 | C33 | C38 | C37 | 0.2° | 0.0° |
| C34 | C33 | C32 | H27 | 0.5° | 0.0° |
| C33 | C34 | C35 | H29 | 179.5° | 180.0° |
| C35 | C34 | C33 | C38 | 0.1° | 0.0° |
| C34 | C35 | C36 | H29 | 180.0° | 179.9° |
| C34 | C35 | C36 | C37 | 1.0° | 0.1° |
| C34 | C35 | C36 | H30 | 179.0° | 179.9° |
| O42 | C43 | C44 | O51 | 176.8° | 180.0° |
| O42 | C43 | C44 | C45 | 79.8° | 79.4° |
| O42 | C43 | C44 | N48 | 161.9° | 163.1° |
| C43 | O42 | C24 | H7 | 16.1° | 97.2° |
| O42 | C43 | C44 | H33 | 38.3° | 43.2° |
| C31 | N40 | C39 | C38 | 1.0° | 0.5° |
| N40 | C31 | N30 | H26 | 31.6° | 174.7° |
| N40 | C31 | C32 | H27 | 179.6° | 179.8° |
| C31 | N40 | C39 | H32 | 179.0° | 179.8° |
| C33 | C38 | C39 | N40 | 0.6° | 0.2° |
| C33 | C38 | C39 | C37 | 179.6° | 180.0° |
| C33 | C38 | C37 | C36 | 0.6° | 0.0° |
| C38 | C33 | C32 | H27 | 180.0° | 180.0° |
| C38 | C33 | C34 | H28 | 179.8° | 180.0° |
| C33 | C38 | C37 | H31 | 179.4° | 179.9° |
| C33 | C38 | C39 | H32 | 179.4° | 180.0° |
| C21 | C20 | C19 | H4 | 180.0° | 180.0° |
| C21 | C20 | C19 | N18 | 5.8° | 177.2° |
| C21 | C20 | C19 | O52 | 174.0° | 2.7° |
| C20 | C21 | C22 | H6 | 29.2° | 11.1° |
| C35 | C36 | C37 | C38 | 1.0° | 0.1° |
| C35 | C36 | C37 | H30 | 180.0° | 180.0° |
| C36 | C35 | C34 | H28 | 179.4° | 180.0° |
| C35 | C36 | C37 | H31 | 179.0° | 180.0° |
| C43 | C44 | C45 | N48 | 126.5° | 118.7° |
| C43 | C44 | C45 | H33 | 118.3° | 121.5° |
| C43 | C44 | C45 | C46 | 153.7° | 98.8° |
| C43 | C44 | N48 | H33 | 123.4° | 120.1° |
| C43 | C44 | N48 | C49 | 58.1° | 82.7° |
| C43 | C44 | N48 | C47 | 126.4° | 97.1° |
| C43 | C44 | C45 | H34 | 87.1° | 142.3° |
| C43 | C44 | C45 | H35 | 34.4° | 19.9° |
| O51 | C43 | C44 | C45 | 97.1° | 100.6° |
| O51 | C43 | C44 | N48 | 21.3° | 17.0° |
| O51 | C43 | C44 | H33 | 144.9° | 136.8° |
| C44 | C45 | C46 | H34 | 119.2° | 118.9° |
| C44 | C45 | C46 | H35 | 119.2° | 118.8° |
| C45 | C44 | N48 | H33 | 114.5° | 121.2° |
| C44 | C45 | C46 | C47 | 38.7° | 10.9° |
| C45 | C44 | N48 | C49 | 179.8° | 158.6° |
| C45 | C44 | N48 | C47 | 4.2° | 21.6° |
| C44 | C45 | H34 | H35 | 122.2° | 122.3° |
| C44 | C45 | C46 | H36 | 79.9° | 130.2° |
| C44 | C45 | C46 | H37 | 157.4° | 108.4° |
| C46 | C45 | C44 | N48 | 27.2° | 19.8° |
| C45 | C46 | C47 | H36 | 118.6° | 119.3° |
| C45 | C46 | C47 | H37 | 118.7° | 119.3° |
| C45 | C46 | C47 | N48 | 36.2° | 1.7° |
| C46 | C45 | C44 | H33 | 88.0° | 139.7° |
| C46 | C45 | H34 | H35 | 122.3° | 122.3° |
| C45 | C46 | H36 | H37 | 123.8° | 121.4° |
| C45 | C46 | C47 | H38 | 155.5° | 121.3° |
| C45 | C46 | C47 | H39 | 83.2° | 117.9° |
| C44 | N48 | C47 | C46 | 20.1° | 14.5° |
| C44 | N48 | C49 | O50 | 9.2° | 27.7° |
| C44 | N48 | C49 | C47 | 174.8° | 179.8° |
| C44 | N48 | C49 | C08 | 169.9° | 152.3° |
| N48 | C44 | C45 | H34 | 146.4° | 99.0° |
| N48 | C44 | C45 | H35 | 92.0° | 138.6° |
| C44 | N48 | C47 | H38 | 139.5° | 134.1° |
| C44 | N48 | C47 | H39 | 99.2° | 105.2° |
| N40 | C39 | C38 | H32 | 180.0° | 179.8° |
| N40 | C39 | C38 | C37 | 179.8° | 179.7° |
| C20 | C19 | N18 | O52 | 179.8° | 179.9° |
| C20 | C19 | N18 | C17 | 175.9° | 162.9° |
| C19 | C20 | C21 | H5 | 2.3° | 4.6° |
| C20 | C19 | N18 | H19 | 4.1° | 17.1° |
| C39 | C38 | C37 | C36 | 179.0° | 180.0° |
| C39 | C38 | C37 | H31 | 1.0° | 0.1° |
| C38 | C37 | C36 | H31 | 180.0° | 179.9° |
| C38 | C37 | C36 | H30 | 179.0° | 179.9° |
| C37 | C38 | C39 | H32 | 0.2° | 0.0° |
| C37 | C36 | C35 | H29 | 179.0° | 180.0° |
| C46 | C47 | N48 | C49 | 155.3° | 165.7° |
| C46 | C47 | N48 | H38 | 119.4° | 119.7° |
| C46 | C47 | N48 | H39 | 119.4° | 119.6° |
| C47 | C46 | C45 | H34 | 157.9° | 108.0° |
| C47 | C46 | C45 | H35 | 80.5° | 129.7° |
| C47 | C46 | H36 | H37 | 123.9° | 121.5° |
| C46 | C47 | H38 | H39 | 121.9° | 120.8° |
| O50 | C49 | N48 | C08 | 179.1° | 180.0° |
| O50 | C49 | N48 | C47 | 165.6° | 152.6° |
| O50 | C49 | C08 | C09 | 30.1° | 135.9° |
| O50 | C49 | C08 | N07 | 143.7° | 48.0° |
| N48 | C49 | C08 | C09 | 150.8° | 44.1° |
| N48 | C49 | C08 | N07 | 35.4° | 132.0° |
| C49 | N48 | C44 | H33 | 65.3° | 37.4° |
| C49 | N48 | C47 | H38 | 35.9° | 46.1° |
| C49 | N48 | C47 | H39 | 85.4° | 74.6° |
| C47 | N48 | C49 | C08 | 15.3° | 27.4° |
| C47 | N48 | C44 | H33 | 110.3° | 142.8° |
| N48 | C47 | C46 | H36 | 82.4° | 117.6° |
| N48 | C47 | C46 | H37 | 154.9° | 120.9° |
| N48 | C47 | H38 | H39 | 121.9° | 120.7° |
| C19 | N18 | C17 | H19 | 180.0° | 179.9° |
| C19 | N18 | C17 | C16 | 135.2° | 80.6° |
| C19 | N18 | C17 | H2 | 104.3° | 159.8° |
| C19 | N18 | C17 | H3 | 14.7° | 38.8° |
| N18 | C19 | C20 | H4 | 174.2° | 2.8° |
| O52 | C19 | N18 | C17 | 3.9° | 17.0° |
| O52 | C19 | C20 | H4 | 6.0° | 177.2° |
| O52 | C19 | N18 | H19 | 176.1° | 163.0° |
| N18 | C17 | C16 | H2 | 120.4° | 119.5° |
| N18 | C17 | C16 | H3 | 120.5° | 119.5° |
| N18 | C17 | C16 | C15 | 119.9° | 176.5° |
| N18 | C17 | H2 | H3 | 118.6° | 121.0° |
| N18 | C17 | C16 | H18 | 60.1° | 3.8° |
| C49 | C08 | C09 | N07 | 174.6° | 176.7° |
| C49 | C08 | C09 | O10 | 179.0° | 175.3° |
| C49 | C08 | N07 | C06 | 176.9° | 173.9° |
| C49 | C08 | C09 | H13 | 1.0° | 4.8° |
| C17 | C16 | C15 | H18 | 180.0° | 179.8° |
| C17 | C16 | C15 | C13 | 176.4° | 179.6° |
| C17 | C16 | C15 | H1 | 3.5° | 0.4° |
| C16 | C17 | H2 | H3 | 118.6° | 121.0° |
| C16 | C17 | N18 | H19 | 44.8° | 99.3° |
| C08 | C09 | O10 | H13 | 180.0° | 180.0° |
| C09 | C08 | N07 | C06 | 8.3° | 2.9° |
| C08 | C09 | O10 | C06 | 1.8° | 0.6° |
| N07 | C08 | C09 | O10 | 6.4° | 1.4° |
| C08 | N07 | C06 | O10 | 7.6° | 3.3° |
| C08 | N07 | C06 | C55 | 174.1° | 177.9° |
| N07 | C08 | C09 | H13 | 173.6° | 178.6° |
| C16 | C15 | C13 | C14 | 3.6° | 179.5° |
| C16 | C15 | C13 | H1 | 180.0° | 180.0° |
| C16 | C15 | C13 | C12 | 174.3° | 0.3° |
| C15 | C16 | C17 | H2 | 119.6° | 56.9° |
| C15 | C16 | C17 | H3 | 0.5° | 64.1° |
| C09 | O10 | C06 | N07 | 3.5° | 2.5° |
| C09 | O10 | C06 | C55 | 178.0° | 178.8° |
| N07 | C06 | O10 | C55 | 178.4° | 178.7° |
| N07 | C06 | C55 | C54 | 35.0° | 52.2° |
| N07 | C06 | C55 | H43 | 85.6° | 67.5° |
| N07 | C06 | C55 | H44 | 155.5° | 171.9° |
| C14 | C13 | C15 | C12 | 177.9° | 179.7° |
| C14 | C13 | C12 | C02 | 2.0° | 0.1° |
| C14 | C13 | C15 | H1 | 176.3° | 0.6° |
| C14 | C13 | C12 | H14 | 178.0° | 179.4° |
| C13 | C14 | H15 | H16 | 120.0° | 119.9° |
| C13 | C14 | H15 | H17 | 120.0° | 120.1° |
| C13 | C14 | H16 | H17 | 120.0° | 120.0° |
| C15 | C13 | C12 | C02 | 179.9° | 179.6° |
| C15 | C13 | C12 | H14 | 0.1° | 0.8° |
| C15 | C13 | C14 | H15 | 180.0° | 96.6° |
| C15 | C13 | C14 | H16 | 60.0° | 23.3° |
| C15 | C13 | C14 | H17 | 60.0° | 143.3° |
| C13 | C15 | C16 | H18 | 3.6° | 0.6° |
| O10 | C06 | C55 | C54 | 146.8° | 129.3° |
| C06 | O10 | C09 | H13 | 178.2° | 179.5° |
| O10 | C06 | C55 | H43 | 92.7° | 111.1° |
| O10 | C06 | C55 | H44 | 26.3° | 9.6° |
| C06 | C55 | C54 | F19 | 85.5° | 131.4° |
| C06 | C55 | C54 | H43 | 120.5° | 119.7° |
| C06 | C55 | C54 | H44 | 120.5° | 119.7° |
| C06 | C55 | C54 | C53 | 149.8° | 108.2° |
| C06 | C55 | C54 | H42 | 32.8° | 12.2° |
| C06 | C55 | H43 | H44 | 118.5° | 120.6° |
| C13 | C12 | C02 | H14 | 180.0° | 179.6° |
| C13 | C12 | C02 | C53 | 105.0° | 174.7° |
| C13 | C12 | C02 | O01 | 138.9° | 54.4° |
| C12 | C13 | C15 | H1 | 5.7° | 179.7° |
| C13 | C12 | C02 | H12 | 18.2° | 65.1° |
| C12 | C13 | C14 | H15 | 2.1° | 83.6° |
| C12 | C13 | C14 | H16 | 117.9° | 156.4° |
| C12 | C13 | C14 | H17 | 122.1° | 36.4° |
| F19 | C54 | C55 | C53 | 124.7° | 120.3° |
| F19 | C54 | C55 | H42 | 118.4° | 119.3° |
| F19 | C54 | C53 | H42 | 118.9° | 119.3° |
| F19 | C54 | C53 | C02 | 71.5° | 20.2° |
| F19 | C54 | C53 | H40 | 167.9° | 100.2° |
| F19 | C54 | C53 | H41 | 49.1° | 140.4° |
| F19 | C54 | C55 | H43 | 154.0° | 108.9° |
| F19 | C54 | C55 | H44 | 35.0° | 11.7° |
| C55 | C54 | C53 | H42 | 116.9° | 120.4° |
| C55 | C54 | C53 | C02 | 164.3° | 140.4° |
| C55 | C54 | C53 | H40 | 43.7° | 20.1° |
| C55 | C54 | C53 | H41 | 75.1° | 99.3° |
| C54 | C55 | H43 | H44 | 118.5° | 120.6° |
| C54 | C53 | C02 | C12 | 71.9° | 112.3° |
| C54 | C53 | C02 | H40 | 120.6° | 120.4° |
| C54 | C53 | C02 | H41 | 120.6° | 120.2° |
| C54 | C53 | C02 | O01 | 171.5° | 127.4° |
| C54 | C53 | C02 | H12 | 51.4° | 7.8° |
| C54 | C53 | H40 | H41 | 118.2° | 119.4° |
| C53 | C54 | C55 | H43 | 29.3° | 11.4° |
| C53 | C54 | C55 | H44 | 89.7° | 132.0° |
| C12 | C02 | C53 | O01 | 116.6° | 120.2° |
| C12 | C02 | C53 | H12 | 123.3° | 120.2° |
| C12 | C02 | O01 | H12 | 119.6° | 119.6° |
| C12 | C02 | O01 | H11 | 180.0° | 175.8° |
| C12 | C02 | C53 | H40 | 48.7° | 127.3° |
| C12 | C02 | C53 | H41 | 167.6° | 7.9° |
| C53 | C02 | O01 | H12 | 118.9° | 119.6° |
| C53 | C02 | O01 | H11 | 58.4° | 55.0° |
| C53 | C02 | C12 | H14 | 75.0° | 5.7° |
| C02 | C53 | H40 | H41 | 118.2° | 119.4° |
| C02 | C53 | C54 | H42 | 47.4° | 99.2° |
| O01 | C02 | C12 | H14 | 41.1° | 126.0° |
| O01 | C02 | C53 | H40 | 67.9° | 7.1° |
| O01 | C02 | C53 | H41 | 50.9° | 112.3° |
| H1 | C15 | C16 | H18 | 176.5° | 179.4° |
| H2 | C17 | C16 | H18 | 60.4° | 123.3° |
| H2 | C17 | N18 | H19 | 75.7° | 20.2° |
| H3 | C17 | C16 | H18 | 179.5° | 115.7° |
| H3 | C17 | N18 | H19 | 165.3° | 141.3° |
| H4 | C20 | C21 | H5 | 177.7° | 175.3° |
| H5 | C21 | C22 | H6 | 150.8° | 165.8° |
| H6 | C22 | C24 | H7 | 60.0° | 137.7° |
| H6 | C22 | C23 | H20 | 61.9° | 60.3° |
| H6 | C22 | C23 | H21 | 178.1° | 59.7° |
| H6 | C22 | C23 | H22 | 58.2° | 179.7° |
| H7 | C24 | C25 | H23 | 175.9° | 68.0° |
| H8 | C26 | H9 | H10 | 120.0° | 120.0° |
| H8 | C26 | C25 | H23 | 61.5° | 171.9° |
| H9 | C26 | C25 | H23 | 58.5° | 51.9° |
| H10 | C26 | C25 | H23 | 178.5° | 68.1° |
| H11 | O01 | C02 | H12 | 60.4° | 64.6° |
| H12 | C02 | C12 | H14 | 161.8° | 114.4° |
| H12 | C02 | C53 | H40 | 172.0° | 112.5° |
| H12 | C02 | C53 | H41 | 69.2° | 128.1° |
| H15 | C14 | H16 | H17 | 120.0° | 120.0° |
| H20 | C23 | H21 | H22 | 120.0° | 120.0° |
| H23 | C25 | C27 | H24 | 173.9° | 97.8° |
| H23 | C25 | C27 | H25 | 55.2° | 142.2° |
| H28 | C34 | C35 | H29 | 0.6° | 0.1° |
| H29 | C35 | C36 | H30 | 1.0° | 0.0° |
| H30 | C36 | C37 | H31 | 1.0° | 0.0° |
| H33 | C44 | C45 | H34 | 31.2° | 20.8° |
| H33 | C44 | C45 | H35 | 152.8° | 101.5° |
| H34 | C45 | C46 | H36 | 39.3° | 11.3° |
| H34 | C45 | C46 | H37 | 83.4° | 132.7° |
| H35 | C45 | C46 | H36 | 160.8° | 111.0° |
| H35 | C45 | C46 | H37 | 38.2° | 10.4° |
| H36 | C46 | C47 | H38 | 36.9° | 2.0° |
| H36 | C46 | C47 | H39 | 158.2° | 122.8° |
| H37 | C46 | C47 | H38 | 85.8° | 119.4° |
| H37 | C46 | C47 | H39 | 35.5° | 1.3° |
| H40 | C53 | C54 | H42 | 73.2° | 140.5° |
| H41 | C53 | C54 | H42 | 168.0° | 21.1° |
| H42 | C54 | C55 | H43 | 87.6° | 131.8° |
| H42 | C54 | C55 | H44 | 153.4° | 107.6° |
