O7Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O41 | C29 | doub | 1.21Å | 1.23Å | |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| O28 | C29 | sing | 1.35Å | 1.36Å | |
| O28 | C27 | sing | 1.45Å | 1.43Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C29 | N30 | sing | 1.35Å | 1.39Å | |
| C25 | C27 | sing | 1.53Å | 1.53Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| C22 | C24 | sing | 1.53Å | 1.55Å | |
| C22 | C21 | sing | 1.51Å | 1.51Å | |
| N30 | C31 | sing | 1.40Å | 1.39Å | |
| C32 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| C32 | C33 | sing | 1.40Å | 1.42Å | Aromatic |
| C24 | O42 | sing | 1.46Å | 1.42Å | |
| C34 | C33 | doub | 1.40Å | 1.41Å | Aromatic |
| C34 | C35 | sing | 1.36Å | 1.39Å | Aromatic |
| O42 | C43 | sing | 1.34Å | 1.34Å | |
| C31 | N40 | sing | 1.33Å | 1.35Å | Aromatic |
| C33 | C38 | sing | 1.42Å | 1.43Å | Aromatic |
| C35 | C36 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C20 | doub | 1.33Å | 1.35Å | |
| N40 | C39 | doub | 1.31Å | 1.35Å | Aromatic |
| C43 | C44 | sing | 1.50Å | 1.51Å | |
| C43 | O51 | doub | 1.21Å | 1.23Å | |
| C38 | C39 | sing | 1.40Å | 1.41Å | Aromatic |
| C38 | C37 | doub | 1.40Å | 1.42Å | Aromatic |
| C20 | C19 | sing | 1.47Å | 1.44Å | |
| C44 | C45 | sing | 1.54Å | 1.54Å | |
| C44 | N48 | sing | 1.46Å | 1.48Å | |
| C45 | C46 | sing | 1.54Å | 1.50Å | |
| C36 | C37 | sing | 1.36Å | 1.39Å | Aromatic |
| C46 | C47 | sing | 1.53Å | 1.51Å | |
| O50 | C49 | doub | 1.22Å | 1.23Å | |
| C19 | N18 | sing | 1.36Å | 1.34Å | |
| C19 | O52 | doub | 1.22Å | 1.23Å | |
| N48 | C49 | sing | 1.34Å | 1.36Å | |
| N48 | C47 | sing | 1.47Å | 1.46Å | |
| N18 | C17 | sing | 1.48Å | 1.45Å | |
| C49 | C08 | sing | 1.46Å | 1.45Å | |
| C17 | C16 | sing | 1.51Å | 1.50Å | |
| C08 | C09 | doub | 1.35Å | 1.39Å | Aromatic |
| C08 | N07 | sing | 1.37Å | 1.32Å | Aromatic |
| C16 | C15 | doub | 1.32Å | 1.34Å | |
| C09 | O10 | sing | 1.35Å | 1.35Å | Aromatic |
| N07 | C06 | doub | 1.30Å | 1.31Å | Aromatic |
| C14 | C13 | sing | 1.51Å | 1.51Å | |
| C15 | C13 | sing | 1.47Å | 1.45Å | |
| O10 | C06 | sing | 1.34Å | 1.35Å | Aromatic |
| C13 | C12 | doub | 1.33Å | 1.35Å | |
| C06 | C05 | sing | 1.52Å | 1.52Å | |
| C12 | C02 | sing | 1.51Å | 1.51Å | |
| C05 | C04 | sing | 1.51Å | 1.52Å | |
| O11 | C04 | doub | 1.21Å | 1.23Å | |
| C04 | C03 | sing | 1.50Å | 1.52Å | |
| C02 | C03 | sing | 1.53Å | 1.53Å | |
| 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 | |
| C03 | H13 | sing | 1.09Å | 1.10Å | |
| C03 | H14 | sing | 1.09Å | 1.10Å | |
| C05 | H15 | sing | 1.09Å | 1.10Å | |
| C05 | H16 | sing | 1.09Å | 1.10Å | |
| C09 | H17 | sing | 1.08Å | 1.08Å | |
| C12 | H18 | sing | 1.08Å | 1.08Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.08Å | 1.08Å | |
| N18 | H23 | sing | 0.97Å | 1.00Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| N30 | H30 | sing | 0.97Å | 1.00Å | |
| C32 | H31 | sing | 1.08Å | 1.08Å | |
| C34 | H32 | sing | 1.08Å | 1.08Å | |
| C35 | H33 | sing | 1.08Å | 1.08Å | |
| C36 | H34 | sing | 1.08Å | 1.08Å | |
| C37 | H35 | sing | 1.08Å | 1.08Å | |
| C39 | H36 | sing | 1.08Å | 1.08Å | |
| C44 | H37 | sing | 1.10Å | 1.10Å | |
| C45 | H38 | sing | 1.09Å | 1.10Å | |
| C45 | H39 | sing | 1.09Å | 1.10Å | |
| C46 | H40 | sing | 1.09Å | 1.10Å | |
| C46 | H41 | sing | 1.09Å | 1.10Å | |
| C47 | H42 | sing | 1.09Å | 1.10Å | |
| C47 | H43 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O41 | C29 | O28 | 120.7° | 120.0° |
| O41 | C29 | N30 | 126.2° | 120.0° |
| C26 | C25 | C27 | 110.9° | 109.5° |
| C26 | C25 | C24 | 112.8° | 109.5° |
| C25 | C26 | H8 | 109.5° | 109.5° |
| C25 | C26 | H9 | 109.4° | 109.4° |
| C25 | C26 | H10 | 109.5° | 109.5° |
| C26 | C25 | H27 | 108.1° | 109.5° |
| C29 | O28 | C27 | 124.1° | 117.0° |
| O28 | C29 | N30 | 113.1° | 120.0° |
| O28 | C27 | C25 | 112.3° | 109.5° |
| O28 | C27 | H28 | 108.8° | 109.5° |
| O28 | C27 | H29 | 108.8° | 109.5° |
| C23 | C22 | C24 | 114.0° | 109.6° |
| C23 | C22 | C21 | 110.6° | 109.6° |
| C23 | C22 | H6 | 107.0° | 109.7° |
| C22 | C23 | H24 | 109.5° | 109.5° |
| C22 | C23 | H25 | 109.4° | 109.5° |
| C22 | C23 | H26 | 109.5° | 109.4° |
| C29 | N30 | C31 | 129.5° | 120.0° |
| C29 | N30 | H30 | 115.3° | 120.0° |
| C27 | C25 | C24 | 108.7° | 109.5° |
| C27 | C25 | H27 | 108.2° | 109.4° |
| C25 | C27 | H28 | 108.8° | 109.5° |
| C25 | C27 | H29 | 108.8° | 109.4° |
| C25 | C24 | C22 | 117.6° | 109.3° |
| C25 | C24 | O42 | 107.6° | 109.3° |
| C25 | C24 | H7 | 107.1° | 109.1° |
| C24 | C25 | H27 | 108.0° | 109.5° |
| C24 | C22 | C21 | 110.8° | 108.7° |
| C22 | C24 | O42 | 108.4° | 110.4° |
| C24 | C22 | H6 | 106.8° | 109.6° |
| C22 | C24 | H7 | 107.1° | 109.3° |
| C22 | C21 | C20 | 124.4° | 121.0° |
| C22 | C21 | H5 | 117.8° | 119.6° |
| C21 | C22 | H6 | 107.2° | 109.6° |
| N30 | C31 | C32 | 123.2° | 119.2° |
| N30 | C31 | N40 | 113.7° | 119.2° |
| C31 | N30 | H30 | 115.2° | 120.0° |
| C31 | C32 | C33 | 118.9° | 118.5° |
| C32 | C31 | N40 | 123.1° | 121.6° |
| C31 | C32 | H31 | 120.6° | 120.7° |
| C32 | C33 | C34 | 122.2° | 122.2° |
| C32 | C33 | C38 | 118.9° | 118.3° |
| C33 | C32 | H31 | 120.6° | 120.8° |
| C24 | O42 | C43 | 121.9° | 115.8° |
| O42 | C24 | H7 | 108.7° | 109.3° |
| C33 | C34 | C35 | 120.2° | 119.5° |
| C34 | C33 | C38 | 119.0° | 119.5° |
| C33 | C34 | H32 | 119.9° | 120.2° |
| C34 | C35 | C36 | 120.7° | 121.0° |
| C35 | C34 | H32 | 119.9° | 120.2° |
| C34 | C35 | H33 | 119.6° | 119.5° |
| O42 | C43 | C44 | 109.6° | 122.1° |
| O42 | C43 | O51 | 125.9° | 118.9° |
| C31 | N40 | C39 | 117.9° | 122.7° |
| C33 | C38 | C39 | 116.9° | 118.7° |
| C33 | C38 | C37 | 119.7° | 119.3° |
| C35 | C36 | C37 | 120.6° | 121.1° |
| C36 | C35 | H33 | 119.7° | 119.5° |
| C35 | C36 | H34 | 119.7° | 119.5° |
| C21 | C20 | C19 | 124.9° | 118.7° |
| C21 | C20 | H4 | 117.6° | 121.3° |
| C20 | C21 | H5 | 117.8° | 119.2° |
| N40 | C39 | C38 | 124.3° | 120.2° |
| N40 | C39 | H36 | 117.8° | 119.9° |
| C44 | C43 | O51 | 124.4° | 118.9° |
| C43 | C44 | C45 | 109.7° | 109.5° |
| C43 | C44 | N48 | 119.9° | 109.3° |
| C43 | C44 | H37 | 107.6° | 110.2° |
| C39 | C38 | C37 | 123.4° | 122.0° |
| C38 | C39 | H36 | 117.9° | 119.9° |
| C38 | C37 | C36 | 119.8° | 119.6° |
| C38 | C37 | H35 | 120.1° | 120.2° |
| C20 | C19 | N18 | 116.3° | 119.0° |
| C20 | C19 | O52 | 121.1° | 120.5° |
| C19 | C20 | H4 | 117.6° | 119.9° |
| C45 | C44 | N48 | 103.7° | 107.5° |
| C44 | C45 | C46 | 104.4° | 104.8° |
| C45 | C44 | H37 | 107.3° | 109.7° |
| C44 | C45 | H38 | 110.7° | 110.5° |
| C44 | C45 | H39 | 110.7° | 110.4° |
| C44 | N48 | C49 | 123.1° | 124.8° |
| C44 | N48 | C47 | 109.4° | 108.8° |
| N48 | C44 | H37 | 108.0° | 110.6° |
| C45 | C46 | C47 | 101.8° | 106.3° |
| C46 | C45 | H38 | 110.7° | 110.3° |
| C46 | C45 | H39 | 110.8° | 110.3° |
| C45 | C46 | H40 | 111.3° | 110.1° |
| C45 | C46 | H41 | 111.3° | 110.1° |
| C37 | C36 | H34 | 119.7° | 119.4° |
| C36 | C37 | H35 | 120.1° | 120.2° |
| C46 | C47 | N48 | 105.6° | 108.1° |
| C47 | C46 | H40 | 111.4° | 110.1° |
| C47 | C46 | H41 | 111.3° | 110.1° |
| C46 | C47 | H42 | 110.5° | 109.8° |
| C46 | C47 | H43 | 110.5° | 109.7° |
| O50 | C49 | N48 | 121.9° | 116.4° |
| O50 | C49 | C08 | 118.9° | 116.3° |
| N18 | C19 | O52 | 122.6° | 120.5° |
| C19 | N18 | C17 | 124.7° | 117.0° |
| C19 | N18 | H23 | 117.6° | 121.5° |
| C49 | N48 | C47 | 127.0° | 126.4° |
| N48 | C49 | C08 | 119.2° | 127.3° |
| N48 | C47 | H42 | 110.4° | 109.8° |
| N48 | C47 | H43 | 110.4° | 109.7° |
| N18 | C17 | C16 | 112.0° | 107.6° |
| N18 | C17 | H2 | 108.8° | 109.8° |
| N18 | C17 | H3 | 108.8° | 109.9° |
| C17 | N18 | H23 | 117.6° | 121.5° |
| C49 | C08 | C09 | 124.6° | 130.9° |
| C49 | C08 | N07 | 127.3° | 122.4° |
| C17 | C16 | C15 | 124.0° | 121.6° |
| C16 | C17 | H2 | 108.9° | 109.9° |
| C16 | C17 | H3 | 108.8° | 109.8° |
| C17 | C16 | H22 | 118.0° | 119.0° |
| C09 | C08 | N07 | 108.1° | 106.7° |
| C08 | C09 | O10 | 108.6° | 107.6° |
| C08 | C09 | H17 | 125.7° | 126.2° |
| C08 | N07 | C06 | 106.0° | 108.4° |
| C16 | C15 | C13 | 124.8° | 119.6° |
| C16 | C15 | H1 | 117.6° | 120.2° |
| C15 | C16 | H22 | 118.0° | 119.4° |
| C09 | O10 | C06 | 103.3° | 107.5° |
| O10 | C09 | H17 | 125.7° | 126.2° |
| N07 | C06 | O10 | 113.7° | 109.6° |
| N07 | C06 | C05 | 128.9° | 124.3° |
| C14 | C13 | C15 | 120.4° | 119.0° |
| C14 | C13 | C12 | 121.5° | 120.4° |
| C13 | C14 | H19 | 109.5° | 109.4° |
| C13 | C14 | H20 | 109.5° | 109.5° |
| C13 | C14 | H21 | 109.5° | 109.5° |
| C15 | C13 | C12 | 117.8° | 120.6° |
| C13 | C15 | H1 | 117.6° | 120.2° |
| O10 | C06 | C05 | 117.3° | 126.0° |
| C13 | C12 | C02 | 127.6° | 120.8° |
| C13 | C12 | H18 | 116.2° | 119.2° |
| C06 | C05 | C04 | 114.6° | 109.2° |
| C06 | C05 | H15 | 108.2° | 109.5° |
| C06 | C05 | H16 | 108.2° | 109.5° |
| C12 | C02 | C03 | 112.3° | 111.3° |
| C12 | C02 | O01 | 106.7° | 109.1° |
| C12 | C02 | H12 | 109.8° | 109.1° |
| C02 | C12 | H18 | 116.2° | 120.0° |
| C05 | C04 | O11 | 120.7° | 119.6° |
| C05 | C04 | C03 | 116.6° | 120.9° |
| C04 | C05 | H15 | 108.2° | 109.5° |
| C04 | C05 | H16 | 108.2° | 109.5° |
| O11 | C04 | C03 | 122.7° | 119.5° |
| C04 | C03 | C02 | 115.5° | 110.2° |
| C04 | C03 | H13 | 107.9° | 109.3° |
| C04 | C03 | H14 | 107.9° | 109.2° |
| C03 | C02 | O01 | 107.2° | 109.1° |
| C03 | C02 | H12 | 109.5° | 109.1° |
| C02 | C03 | H13 | 108.0° | 109.4° |
| C02 | C03 | H14 | 108.0° | 109.4° |
| C02 | O01 | H11 | 109.5° | 114.0° |
| O01 | C02 | H12 | 111.4° | 109.1° |
| H2 | C17 | H3 | 109.5° | 109.8° |
| H8 | C26 | H9 | 109.5° | 109.4° |
| H8 | C26 | H10 | 109.5° | 109.5° |
| H9 | C26 | H10 | 109.5° | 109.5° |
| H13 | C03 | H14 | 109.4° | 109.4° |
| H15 | C05 | H16 | 109.4° | 109.5° |
| H19 | C14 | H20 | 109.5° | 109.5° |
| H19 | C14 | H21 | 109.5° | 109.4° |
| H20 | C14 | H21 | 109.5° | 109.5° |
| H24 | C23 | H25 | 109.5° | 109.5° |
| H24 | C23 | H26 | 109.5° | 109.5° |
| H25 | C23 | H26 | 109.5° | 109.5° |
| H28 | C27 | H29 | 109.4° | 109.4° |
| H38 | C45 | H39 | 109.5° | 110.4° |
| H40 | C46 | H41 | 109.5° | 110.1° |
| H42 | C47 | H43 | 109.4° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O41 | C29 | O28 | N30 | 178.6° | 179.9° |
| O41 | C29 | O28 | C27 | 179.4° | 0.0° |
| O41 | C29 | N30 | C31 | 3.6° | 6.3° |
| O41 | C29 | N30 | H30 | 176.4° | 173.6° |
| C26 | C25 | C27 | O28 | 59.2° | 96.8° |
| C26 | C25 | C27 | C24 | 124.6° | 120.0° |
| C26 | C25 | C27 | H27 | 118.4° | 120.0° |
| C26 | C25 | C24 | H27 | 119.4° | 120.1° |
| C26 | C25 | C24 | C22 | 50.6° | 54.2° |
| C26 | C25 | C24 | O42 | 173.3° | 66.8° |
| C26 | C25 | C24 | H7 | 70.0° | 173.7° |
| 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 | H28 | 61.2° | 143.2° |
| C26 | C25 | C27 | H29 | 179.7° | 23.3° |
| C29 | O28 | C27 | C25 | 159.4° | 180.0° |
| O28 | C29 | N30 | C31 | 174.9° | 173.6° |
| C29 | O28 | C27 | H28 | 38.9° | 60.0° |
| C29 | O28 | C27 | H29 | 80.2° | 60.0° |
| O28 | C29 | N30 | H30 | 5.1° | 6.5° |
| C27 | O28 | C29 | N30 | 2.0° | 180.0° |
| O28 | C27 | C25 | H28 | 120.5° | 120.0° |
| O28 | C27 | C25 | H29 | 120.4° | 120.0° |
| O28 | C27 | C25 | C24 | 176.2° | 143.3° |
| O28 | C27 | C25 | H27 | 59.2° | 23.3° |
| O28 | C27 | H28 | H29 | 118.7° | 120.0° |
| C23 | C22 | C24 | C25 | 56.4° | 137.7° |
| C23 | C22 | C24 | C21 | 125.6° | 119.8° |
| C23 | C22 | C24 | H6 | 118.0° | 120.4° |
| C23 | C22 | C21 | H6 | 116.3° | 120.4° |
| C23 | C22 | C24 | O42 | 65.9° | 102.0° |
| C23 | C22 | C21 | C20 | 141.8° | 110.2° |
| C23 | C22 | C21 | H5 | 38.2° | 73.6° |
| C23 | C22 | C24 | H7 | 177.0° | 18.3° |
| C22 | C23 | H24 | H25 | 120.0° | 120.0° |
| C22 | C23 | H24 | H26 | 120.0° | 119.9° |
| C22 | C23 | H25 | H26 | 120.0° | 119.9° |
| C29 | N30 | C31 | H30 | 180.0° | 179.9° |
| C29 | N30 | C31 | C32 | 29.0° | 173.4° |
| C29 | N30 | C31 | N40 | 152.1° | 6.3° |
| C27 | C25 | C24 | H27 | 117.1° | 120.0° |
| C27 | C25 | C24 | C22 | 174.0° | 65.8° |
| C27 | C25 | C24 | O42 | 63.3° | 173.2° |
| C27 | C25 | C24 | H7 | 53.4° | 53.7° |
| C27 | C25 | C26 | H8 | 180.0° | 75.1° |
| C27 | C25 | C26 | H9 | 60.0° | 164.9° |
| C27 | C25 | C26 | H10 | 60.0° | 44.9° |
| C25 | C27 | H28 | H29 | 118.7° | 119.9° |
| C25 | C24 | C22 | O42 | 122.3° | 120.3° |
| C25 | C24 | C22 | H7 | 120.6° | 119.4° |
| C25 | C24 | C22 | C21 | 178.0° | 17.9° |
| C25 | C24 | O42 | H7 | 115.7° | 119.4° |
| C25 | C24 | O42 | C43 | 126.1° | 24.9° |
| C25 | C24 | C22 | H6 | 61.5° | 101.9° |
| C24 | C25 | C26 | H8 | 57.8° | 44.9° |
| C24 | C25 | C26 | H9 | 177.8° | 75.1° |
| C24 | C25 | C26 | H10 | 62.2° | 164.9° |
| C24 | C25 | C27 | H28 | 63.3° | 23.2° |
| C24 | C25 | C27 | H29 | 55.8° | 96.7° |
| C24 | C22 | C21 | H6 | 116.2° | 119.7° |
| C22 | C24 | O42 | H7 | 116.1° | 120.3° |
| C22 | C24 | O42 | C43 | 105.7° | 145.2° |
| C24 | C22 | C21 | C20 | 90.7° | 130.0° |
| C24 | C22 | C21 | H5 | 89.3° | 46.2° |
| C24 | C22 | C23 | H24 | 180.0° | 60.0° |
| C24 | C22 | C23 | H25 | 60.0° | 180.0° |
| C24 | C22 | C23 | H26 | 60.0° | 60.0° |
| C22 | C24 | C25 | H27 | 68.9° | 174.2° |
| C21 | C22 | C24 | O42 | 59.7° | 138.2° |
| C22 | C21 | C20 | H5 | 180.0° | 176.2° |
| C22 | C21 | C20 | C19 | 170.9° | 171.9° |
| C22 | C21 | C20 | H4 | 9.1° | 6.4° |
| C21 | C22 | C24 | H7 | 57.4° | 101.5° |
| C21 | C22 | C23 | H24 | 54.4° | 179.2° |
| C21 | C22 | C23 | H25 | 65.7° | 60.8° |
| C21 | C22 | C23 | H26 | 174.3° | 59.2° |
| N30 | C31 | C32 | N40 | 178.8° | 179.7° |
| N30 | C31 | C32 | C33 | 178.1° | 180.0° |
| N30 | C31 | N40 | C39 | 179.0° | 179.7° |
| N30 | C31 | C32 | H31 | 1.9° | 0.1° |
| C31 | C32 | C33 | H31 | 180.0° | 179.9° |
| C31 | C32 | C33 | C34 | 178.8° | 180.0° |
| C31 | C32 | C33 | C38 | 0.6° | 0.1° |
| C32 | C31 | N40 | C39 | 0.1° | 0.6° |
| C32 | C31 | N30 | H30 | 151.0° | 6.6° |
| C32 | C33 | C34 | C38 | 179.4° | 179.9° |
| C32 | C33 | C34 | C35 | 179.1° | 180.0° |
| C33 | C32 | C31 | N40 | 0.7° | 0.4° |
| C32 | C33 | C38 | C39 | 0.2° | 0.0° |
| C32 | C33 | C38 | C37 | 179.2° | 180.0° |
| C32 | C33 | C34 | H32 | 0.9° | 0.2° |
| C24 | O42 | C43 | C44 | 167.8° | 173.4° |
| C24 | O42 | C43 | O51 | 8.0° | 6.5° |
| O42 | C24 | C22 | H6 | 176.2° | 18.4° |
| O42 | C24 | C25 | H27 | 53.8° | 53.3° |
| C33 | C34 | C35 | H32 | 180.0° | 179.9° |
| C33 | C34 | C35 | C36 | 0.2° | 0.1° |
| C34 | C33 | C38 | C39 | 179.6° | 179.9° |
| C34 | C33 | C38 | C37 | 0.2° | 0.1° |
| C34 | C33 | C32 | H31 | 1.2° | 0.1° |
| C33 | C34 | C35 | H33 | 179.8° | 180.0° |
| C35 | C34 | C33 | C38 | 0.3° | 0.1° |
| C34 | C35 | C36 | H33 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 0.0° | 0.0° |
| C34 | C35 | C36 | H34 | 180.0° | 180.0° |
| O42 | C43 | C44 | O51 | 175.9° | 179.9° |
| O42 | C43 | C44 | C45 | 74.8° | 79.5° |
| O42 | C43 | C44 | N48 | 165.5° | 162.9° |
| C43 | O42 | C24 | H7 | 10.4° | 94.5° |
| O42 | C43 | C44 | H37 | 41.6° | 41.2° |
| C31 | N40 | C39 | C38 | 0.9° | 0.6° |
| N40 | C31 | N30 | H30 | 27.9° | 173.8° |
| N40 | C31 | C32 | H31 | 179.4° | 179.7° |
| C31 | N40 | C39 | H36 | 179.1° | 179.7° |
| C33 | C38 | C39 | N40 | 1.0° | 0.3° |
| C33 | C38 | C39 | C37 | 179.3° | 180.0° |
| C33 | C38 | C37 | C36 | 0.0° | 0.1° |
| C38 | C33 | C32 | H31 | 179.4° | 180.0° |
| C38 | C33 | C34 | H32 | 179.7° | 180.0° |
| C33 | C38 | C37 | H35 | 180.0° | 179.9° |
| C33 | C38 | C39 | H36 | 179.1° | 179.9° |
| C35 | C36 | C37 | C38 | 0.1° | 0.0° |
| C35 | C36 | C37 | H34 | 180.0° | 180.0° |
| C36 | C35 | C34 | H32 | 179.8° | 179.9° |
| C35 | C36 | C37 | H35 | 179.9° | 179.9° |
| C21 | C20 | C19 | H4 | 180.0° | 178.4° |
| C21 | C20 | C19 | N18 | 23.5° | 175.9° |
| C21 | C20 | C19 | O52 | 155.4° | 4.1° |
| C20 | C21 | C22 | H6 | 25.5° | 10.3° |
| N40 | C39 | C38 | H36 | 180.0° | 179.8° |
| N40 | C39 | C38 | C37 | 178.4° | 179.7° |
| C43 | C44 | C45 | N48 | 129.2° | 118.6° |
| C43 | C44 | C45 | H37 | 116.6° | 121.0° |
| C43 | C44 | N48 | H37 | 123.7° | 121.5° |
| C43 | C44 | C45 | C46 | 158.5° | 98.6° |
| C43 | C44 | N48 | C49 | 57.4° | 83.7° |
| C43 | C44 | N48 | C47 | 130.5° | 97.3° |
| C43 | C44 | C45 | H38 | 82.3° | 142.5° |
| C43 | C44 | C45 | H39 | 39.3° | 20.2° |
| O51 | C43 | C44 | C45 | 101.1° | 100.4° |
| O51 | C43 | C44 | N48 | 18.6° | 17.1° |
| O51 | C43 | C44 | H37 | 142.5° | 138.8° |
| C39 | C38 | C37 | C36 | 179.3° | 180.0° |
| C39 | C38 | C37 | H35 | 0.7° | 0.1° |
| C38 | C37 | C36 | H35 | 180.0° | 180.0° |
| C38 | C37 | C36 | H34 | 179.9° | 180.0° |
| C37 | C38 | C39 | H36 | 1.6° | 0.0° |
| C20 | C19 | N18 | O52 | 178.9° | 180.0° |
| C20 | C19 | N18 | C17 | 179.3° | 163.0° |
| C19 | C20 | C21 | H5 | 9.0° | 4.3° |
| C20 | C19 | N18 | H23 | 0.7° | 16.9° |
| C45 | C44 | N48 | H37 | 113.6° | 119.8° |
| C44 | C45 | C46 | H38 | 119.2° | 118.9° |
| C44 | C45 | C46 | H39 | 119.2° | 118.9° |
| C44 | C45 | C46 | C47 | 38.7° | 11.2° |
| C45 | C44 | N48 | C49 | 179.9° | 157.5° |
| C45 | C44 | N48 | C47 | 7.8° | 21.5° |
| C44 | C45 | H38 | H39 | 122.3° | 122.4° |
| C44 | C45 | C46 | H40 | 80.0° | 130.4° |
| C44 | C45 | C46 | H41 | 157.5° | 108.0° |
| N48 | C44 | C45 | C46 | 29.2° | 20.0° |
| C44 | N48 | C47 | C46 | 16.4° | 14.1° |
| C44 | N48 | C49 | O50 | 2.7° | 24.9° |
| C44 | N48 | C49 | C47 | 170.6° | 178.8° |
| C44 | N48 | C49 | C08 | 179.2° | 155.1° |
| N48 | C44 | C45 | H38 | 148.4° | 98.9° |
| N48 | C44 | C45 | H39 | 90.0° | 138.8° |
| C44 | N48 | C47 | H42 | 135.8° | 133.8° |
| C44 | N48 | C47 | H43 | 103.1° | 105.5° |
| C45 | C46 | C47 | H40 | 118.8° | 119.2° |
| C45 | C46 | C47 | H41 | 118.7° | 119.3° |
| C45 | C46 | C47 | N48 | 34.1° | 1.2° |
| C46 | C45 | C44 | H37 | 84.9° | 140.3° |
| C46 | C45 | H38 | H39 | 122.4° | 122.2° |
| C45 | C46 | H40 | H41 | 123.6° | 121.6° |
| C45 | C46 | C47 | H42 | 153.5° | 121.0° |
| C45 | C46 | C47 | H43 | 85.3° | 118.4° |
| C37 | C36 | C35 | H33 | 180.0° | 180.0° |
| C46 | C47 | N48 | C49 | 155.3° | 164.9° |
| C46 | C47 | N48 | H42 | 119.4° | 119.7° |
| C46 | C47 | N48 | H43 | 119.4° | 119.6° |
| C47 | C46 | C45 | H38 | 157.9° | 107.7° |
| C47 | C46 | C45 | H39 | 80.5° | 130.1° |
| C47 | C46 | H40 | H41 | 123.6° | 121.5° |
| C46 | C47 | H42 | H43 | 121.8° | 120.7° |
| O50 | C49 | N48 | C08 | 178.1° | 179.9° |
| O50 | C49 | N48 | C47 | 168.0° | 153.9° |
| O50 | C49 | C08 | C09 | 17.1° | 135.8° |
| O50 | C49 | C08 | N07 | 159.3° | 47.8° |
| C19 | N18 | C17 | H23 | 180.0° | 179.9° |
| C19 | N18 | C17 | C16 | 123.6° | 80.7° |
| C19 | N18 | C17 | H2 | 116.0° | 159.7° |
| C19 | N18 | C17 | H3 | 3.2° | 38.8° |
| N18 | C19 | C20 | H4 | 156.5° | 2.5° |
| O52 | C19 | N18 | C17 | 0.4° | 17.0° |
| O52 | C19 | C20 | H4 | 24.6° | 177.5° |
| O52 | C19 | N18 | H23 | 179.6° | 163.1° |
| N48 | C49 | C08 | C09 | 161.1° | 44.1° |
| N48 | C49 | C08 | N07 | 22.5° | 132.3° |
| C49 | N48 | C44 | H37 | 66.3° | 37.7° |
| C49 | N48 | C47 | H42 | 35.9° | 45.1° |
| C49 | N48 | C47 | H43 | 85.3° | 75.5° |
| C47 | N48 | C49 | C08 | 10.1° | 26.0° |
| C47 | N48 | C44 | H37 | 105.8° | 141.3° |
| N48 | C47 | C46 | H40 | 84.7° | 118.0° |
| N48 | C47 | C46 | H41 | 152.8° | 120.5° |
| N48 | C47 | H42 | H43 | 121.7° | 120.6° |
| N18 | C17 | C16 | H2 | 120.4° | 119.5° |
| N18 | C17 | C16 | H3 | 120.4° | 119.6° |
| N18 | C17 | C16 | C15 | 112.4° | 175.4° |
| N18 | C17 | H2 | H3 | 118.8° | 120.9° |
| N18 | C17 | C16 | H22 | 67.7° | 4.4° |
| C49 | C08 | C09 | N07 | 177.0° | 176.9° |
| C49 | C08 | C09 | O10 | 178.4° | 174.7° |
| C49 | C08 | N07 | C06 | 177.0° | 172.6° |
| C49 | C08 | C09 | H17 | 1.6° | 5.3° |
| C17 | C16 | C15 | H22 | 180.0° | 179.8° |
| C17 | C16 | C15 | C13 | 175.8° | 179.2° |
| C17 | C16 | C15 | H1 | 4.2° | 0.9° |
| C16 | C17 | H2 | H3 | 118.9° | 120.9° |
| C16 | C17 | N18 | H23 | 56.4° | 99.2° |
| C08 | C09 | O10 | H17 | 180.0° | 180.0° |
| C09 | C08 | N07 | C06 | 6.1° | 4.6° |
| C08 | C09 | O10 | C06 | 1.2° | 1.0° |
| N07 | C08 | C09 | O10 | 4.7° | 2.1° |
| C08 | N07 | C06 | O10 | 5.7° | 5.3° |
| C08 | N07 | C06 | C05 | 170.9° | 177.0° |
| N07 | C08 | C09 | H17 | 175.4° | 177.8° |
| C16 | C15 | C13 | C14 | 18.7° | 180.0° |
| C16 | C15 | C13 | H1 | 180.0° | 179.9° |
| C16 | C15 | C13 | C12 | 167.7° | 0.2° |
| C15 | C16 | C17 | H2 | 127.3° | 55.8° |
| C15 | C16 | C17 | H3 | 8.0° | 65.0° |
| C09 | O10 | C06 | N07 | 2.7° | 4.0° |
| C09 | O10 | C06 | C05 | 174.2° | 178.5° |
| N07 | C06 | O10 | C05 | 177.0° | 177.6° |
| N07 | C06 | C05 | C04 | 9.1° | 44.3° |
| N07 | C06 | C05 | H15 | 111.7° | 164.3° |
| N07 | C06 | C05 | H16 | 129.9° | 75.6° |
| C14 | C13 | C15 | C12 | 173.6° | 179.8° |
| C14 | C13 | C12 | C02 | 8.1° | 1.0° |
| C14 | C13 | C15 | H1 | 161.3° | 0.1° |
| C14 | C13 | C12 | H18 | 171.9° | 177.6° |
| C13 | C14 | H19 | H20 | 120.0° | 120.0° |
| C13 | C14 | H19 | H21 | 120.0° | 120.0° |
| C13 | C14 | H20 | H21 | 120.0° | 120.1° |
| C15 | C13 | C12 | C02 | 178.3° | 179.2° |
| C15 | C13 | C12 | H18 | 1.7° | 2.2° |
| C15 | C13 | C14 | H19 | 180.0° | 152.9° |
| C15 | C13 | C14 | H20 | 60.0° | 32.9° |
| C15 | C13 | C14 | H21 | 60.0° | 87.1° |
| C13 | C15 | C16 | H22 | 4.2° | 0.6° |
| O10 | C06 | C05 | C04 | 167.3° | 138.4° |
| O10 | C06 | C05 | H15 | 71.9° | 18.5° |
| O10 | C06 | C05 | H16 | 46.5° | 101.6° |
| C06 | O10 | C09 | H17 | 178.8° | 179.0° |
| C13 | C12 | C02 | H18 | 180.0° | 178.5° |
| C13 | C12 | C02 | C03 | 139.9° | 169.5° |
| C13 | C12 | C02 | O01 | 102.9° | 49.0° |
| C12 | C13 | C15 | H1 | 12.3° | 179.6° |
| C13 | C12 | C02 | H12 | 17.9° | 70.1° |
| C12 | C13 | C14 | H19 | 6.6° | 26.9° |
| C12 | C13 | C14 | H20 | 126.6° | 146.9° |
| C12 | C13 | C14 | H21 | 113.4° | 93.1° |
| C06 | C05 | C04 | H15 | 120.8° | 119.9° |
| C06 | C05 | C04 | H16 | 120.8° | 119.9° |
| C06 | C05 | C04 | O11 | 108.4° | 73.5° |
| C06 | C05 | C04 | C03 | 70.0° | 106.5° |
| C06 | C05 | H15 | H16 | 117.6° | 120.1° |
| C12 | C02 | C03 | C04 | 137.9° | 114.9° |
| C12 | C02 | C03 | O01 | 116.8° | 120.5° |
| C12 | C02 | C03 | H12 | 122.2° | 120.4° |
| C12 | C02 | O01 | H12 | 119.8° | 119.1° |
| C12 | C02 | O01 | H11 | 180.0° | 177.1° |
| C12 | C02 | C03 | H13 | 17.1° | 124.9° |
| C12 | C02 | C03 | H14 | 101.2° | 5.2° |
| C05 | C04 | O11 | C03 | 178.4° | 180.0° |
| C05 | C04 | C03 | C02 | 159.3° | 140.6° |
| C05 | C04 | C03 | H13 | 38.4° | 20.3° |
| C05 | C04 | C03 | H14 | 79.8° | 99.3° |
| C04 | C05 | H15 | H16 | 117.6° | 120.1° |
| O11 | C04 | C03 | C02 | 19.1° | 39.4° |
| O11 | C04 | C03 | H13 | 140.0° | 159.7° |
| O11 | C04 | C03 | H14 | 101.8° | 80.7° |
| O11 | C04 | C05 | H15 | 130.8° | 46.4° |
| O11 | C04 | C05 | H16 | 12.3° | 166.5° |
| C04 | C03 | C02 | H13 | 120.9° | 120.2° |
| C04 | C03 | C02 | H14 | 120.9° | 120.0° |
| C04 | C03 | C02 | O01 | 105.2° | 124.7° |
| C04 | C03 | C02 | H12 | 15.8° | 5.6° |
| C04 | C03 | H13 | H14 | 117.2° | 119.5° |
| C03 | C04 | C05 | H15 | 50.7° | 133.6° |
| C03 | C04 | C05 | H16 | 169.2° | 13.4° |
| C03 | C02 | O01 | H12 | 119.8° | 119.1° |
| C03 | C02 | O01 | H11 | 59.5° | 55.3° |
| C02 | C03 | H13 | H14 | 117.3° | 119.8° |
| C03 | C02 | C12 | H18 | 40.1° | 12.0° |
| O01 | C02 | C03 | H13 | 133.9° | 4.4° |
| O01 | C02 | C03 | H14 | 15.7° | 115.3° |
| O01 | C02 | C12 | H18 | 77.1° | 132.4° |
| H1 | C15 | C16 | H22 | 175.8° | 179.3° |
| H2 | C17 | C16 | H22 | 52.7° | 124.0° |
| H2 | C17 | N18 | H23 | 64.0° | 20.4° |
| H3 | C17 | C16 | H22 | 172.0° | 115.2° |
| H3 | C17 | N18 | H23 | 176.8° | 141.3° |
| H4 | C20 | C21 | H5 | 171.0° | 177.4° |
| H5 | C21 | C22 | H6 | 154.5° | 165.9° |
| H6 | C22 | C24 | H7 | 59.0° | 138.8° |
| H6 | C22 | C23 | H24 | 62.1° | 60.4° |
| H6 | C22 | C23 | H25 | 177.9° | 59.6° |
| H6 | C22 | C23 | H26 | 57.9° | 179.6° |
| H7 | C24 | C25 | H27 | 170.5° | 66.3° |
| H8 | C26 | H9 | H10 | 120.0° | 120.0° |
| H8 | C26 | C25 | H27 | 61.6° | 164.9° |
| H9 | C26 | C25 | H27 | 58.4° | 44.9° |
| H10 | C26 | C25 | H27 | 178.4° | 75.1° |
| H11 | O01 | C02 | H12 | 60.3° | 63.8° |
| H12 | C02 | C03 | H13 | 105.1° | 114.6° |
| H12 | C02 | C03 | H14 | 136.6° | 125.6° |
| H12 | C02 | C12 | H18 | 162.1° | 108.4° |
| H19 | C14 | H20 | H21 | 120.0° | 120.0° |
| H24 | C23 | H25 | H26 | 120.0° | 120.1° |
| H27 | C25 | C27 | H28 | 179.6° | 96.7° |
| H27 | C25 | C27 | H29 | 61.3° | 143.3° |
| H32 | C34 | C35 | H33 | 0.2° | 0.1° |
| H33 | C35 | C36 | H34 | 0.0° | 0.0° |
| H34 | C36 | C37 | H35 | 0.1° | 0.0° |
| H37 | C44 | C45 | H38 | 34.3° | 21.5° |
| H37 | C44 | C45 | H39 | 155.9° | 100.9° |
| H38 | C45 | C46 | H40 | 39.1° | 11.5° |
| H38 | C45 | C46 | H41 | 83.3° | 133.1° |
| H39 | C45 | C46 | H40 | 160.8° | 110.7° |
| H39 | C45 | C46 | H41 | 38.3° | 10.9° |
| H40 | C46 | C47 | H42 | 34.7° | 1.7° |
| H40 | C46 | C47 | H43 | 155.9° | 122.4° |
| H41 | C46 | C47 | H42 | 87.8° | 119.8° |
| H41 | C46 | C47 | H43 | 33.4° | 0.9° |
