ET3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C35 | O34 | sing | 1.43Å | 1.42Å | |
| O34 | C33 | sing | 1.43Å | 1.40Å | |
| C06 | C05 | sing | 1.53Å | 1.58Å | |
| C06 | O07 | sing | 1.43Å | 1.44Å | |
| C05 | N04 | sing | 1.47Å | 1.35Å | |
| C09 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C09 | C08 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C40 | N04 | sing | 1.47Å | 1.33Å | |
| C40 | C41 | sing | 1.53Å | 1.55Å | |
| C03 | N04 | sing | 1.47Å | 1.32Å | |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| O39 | C16 | doub | 1.22Å | 1.20Å | |
| C33 | C32 | sing | 1.53Å | 1.55Å | |
| O07 | C08 | sing | 1.36Å | 1.44Å | |
| C08 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C41 | O01 | sing | 1.43Å | 1.41Å | |
| C11 | C16 | sing | 1.48Å | 1.51Å | |
| C11 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
| O01 | C02 | sing | 1.43Å | 1.41Å | |
| C16 | C17 | sing | 1.47Å | 1.50Å | |
| C32 | N27 | sing | 1.47Å | 1.48Å | |
| C13 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | O14 | sing | 1.36Å | 1.42Å | |
| C25 | C24 | sing | 1.51Å | 1.53Å | |
| C25 | C26 | sing | 1.51Å | 1.58Å | |
| C17 | C24 | doub | 1.40Å | 1.41Å | Aromatic |
| C17 | C18 | sing | 1.41Å | 1.40Å | Aromatic |
| O38 | C18 | sing | 1.36Å | 1.39Å | |
| N27 | C26 | sing | 1.35Å | 1.45Å | |
| N27 | C28 | sing | 1.46Å | 1.47Å | |
| C24 | C21 | sing | 1.37Å | 1.38Å | Aromatic |
| O14 | C15 | sing | 1.43Å | 1.42Å | |
| C18 | C19 | doub | 1.38Å | 1.41Å | Aromatic |
| C26 | O36 | doub | 1.21Å | 1.21Å | |
| C28 | C29 | sing | 1.53Å | 1.55Å | |
| C29 | O30 | sing | 1.43Å | 1.41Å | |
| C23 | C22 | sing | 1.53Å | 1.57Å | |
| C21 | C22 | sing | 1.51Å | 1.53Å | |
| C21 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| O30 | C31 | sing | 1.43Å | 1.43Å | |
| C20 | O37 | sing | 1.36Å | 1.36Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C28 | H7 | sing | 1.09Å | 1.10Å | |
| C28 | H8 | sing | 1.09Å | 1.10Å | |
| C02 | H9 | sing | 1.09Å | 1.10Å | |
| C02 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| C03 | H12 | sing | 1.09Å | 1.10Å | |
| C05 | H13 | sing | 1.09Å | 1.10Å | |
| C05 | H14 | sing | 1.09Å | 1.10Å | |
| C06 | H15 | sing | 1.09Å | 1.10Å | |
| C06 | H16 | sing | 1.09Å | 1.10Å | |
| C09 | H17 | sing | 1.08Å | 1.08Å | |
| C12 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| 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 | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C31 | H27 | sing | 1.09Å | 1.10Å | |
| C31 | H28 | sing | 1.09Å | 1.10Å | |
| C31 | H29 | sing | 1.09Å | 1.10Å | |
| C32 | H30 | sing | 1.09Å | 1.10Å | |
| C32 | H31 | sing | 1.09Å | 1.10Å | |
| C33 | H32 | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C35 | H34 | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H36 | sing | 1.09Å | 1.10Å | |
| C40 | H37 | sing | 1.09Å | 1.10Å | |
| C40 | H38 | sing | 1.09Å | 1.10Å | |
| C41 | H39 | sing | 1.09Å | 1.10Å | |
| C41 | H40 | sing | 1.09Å | 1.10Å | |
| O37 | H42 | sing | 0.97Å | 0.95Å | |
| O38 | H43 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C35 | O34 | C33 | 111.6° | 114.0° |
| O34 | C35 | H34 | 109.5° | 109.5° |
| O34 | C35 | H35 | 109.5° | 109.5° |
| O34 | C35 | H36 | 109.5° | 109.5° |
| O34 | C33 | C32 | 112.7° | 109.4° |
| O34 | C33 | H32 | 108.7° | 109.5° |
| O34 | C33 | H33 | 108.7° | 109.5° |
| C05 | C06 | O07 | 109.7° | 109.5° |
| C06 | C05 | N04 | 113.4° | 109.4° |
| C06 | C05 | H13 | 108.5° | 109.5° |
| C06 | C05 | H14 | 108.5° | 109.5° |
| C05 | C06 | H15 | 109.4° | 109.4° |
| C05 | C06 | H16 | 109.5° | 109.5° |
| C06 | O07 | C08 | 115.9° | 117.0° |
| O07 | C06 | H15 | 109.4° | 109.5° |
| O07 | C06 | H16 | 109.4° | 109.5° |
| C05 | N04 | C40 | 111.4° | 111.0° |
| C05 | N04 | C03 | 108.7° | 111.0° |
| N04 | C05 | H13 | 108.5° | 109.5° |
| N04 | C05 | H14 | 108.5° | 109.5° |
| C10 | C09 | C08 | 118.5° | 120.1° |
| C09 | C10 | C11 | 119.2° | 120.0° |
| C09 | C10 | H1 | 120.4° | 120.0° |
| C10 | C09 | H17 | 120.7° | 119.9° |
| C09 | C08 | O07 | 121.2° | 119.9° |
| C09 | C08 | C13 | 121.4° | 120.2° |
| C08 | C09 | H17 | 120.8° | 120.0° |
| C10 | C11 | C16 | 117.7° | 120.1° |
| C10 | C11 | C12 | 123.4° | 119.8° |
| C11 | C10 | H1 | 120.4° | 120.0° |
| N04 | C40 | C41 | 115.2° | 109.2° |
| C40 | N04 | C03 | 111.5° | 110.7° |
| N04 | C40 | H37 | 108.0° | 109.6° |
| N04 | C40 | H38 | 108.0° | 109.5° |
| C40 | C41 | O01 | 112.4° | 109.3° |
| C41 | C40 | H37 | 108.0° | 109.5° |
| C41 | C40 | H38 | 108.0° | 109.5° |
| C40 | C41 | H39 | 108.7° | 109.5° |
| C40 | C41 | H40 | 108.7° | 109.5° |
| N04 | C03 | C02 | 112.7° | 109.3° |
| N04 | C03 | H11 | 108.6° | 109.5° |
| N04 | C03 | H12 | 108.7° | 109.5° |
| C03 | C02 | O01 | 113.1° | 109.2° |
| C03 | C02 | H9 | 108.6° | 109.5° |
| C03 | C02 | H10 | 108.5° | 109.5° |
| C02 | C03 | H11 | 108.7° | 109.5° |
| C02 | C03 | H12 | 108.7° | 109.5° |
| O39 | C16 | C11 | 119.9° | 120.0° |
| O39 | C16 | C17 | 119.6° | 120.0° |
| C33 | C32 | N27 | 101.7° | 109.5° |
| C33 | C32 | H30 | 111.4° | 109.5° |
| C33 | C32 | H31 | 111.4° | 109.5° |
| C32 | C33 | H32 | 108.6° | 109.5° |
| C32 | C33 | H33 | 108.6° | 109.4° |
| O07 | C08 | C13 | 117.3° | 120.0° |
| C08 | C13 | C12 | 121.2° | 120.0° |
| C08 | C13 | O14 | 119.0° | 120.0° |
| C41 | O01 | C02 | 111.6° | 113.8° |
| O01 | C41 | H39 | 108.7° | 109.5° |
| O01 | C41 | H40 | 108.7° | 109.5° |
| C16 | C11 | C12 | 118.9° | 120.1° |
| C11 | C16 | C17 | 120.5° | 120.0° |
| C11 | C12 | C13 | 116.2° | 119.8° |
| C11 | C12 | H18 | 121.9° | 120.1° |
| O01 | C02 | H9 | 108.6° | 109.5° |
| O01 | C02 | H10 | 108.6° | 109.5° |
| C16 | C17 | C24 | 123.2° | 120.2° |
| C16 | C17 | C18 | 119.1° | 120.1° |
| C32 | N27 | C26 | 118.5° | 120.0° |
| C32 | N27 | C28 | 124.6° | 120.0° |
| N27 | C32 | H30 | 111.4° | 109.4° |
| N27 | C32 | H31 | 111.4° | 109.5° |
| C12 | C13 | O14 | 119.7° | 120.0° |
| C13 | C12 | H18 | 121.9° | 120.1° |
| C13 | O14 | C15 | 116.8° | 117.0° |
| C24 | C25 | C26 | 105.5° | 109.5° |
| C25 | C24 | C17 | 120.1° | 120.0° |
| C25 | C24 | C21 | 121.5° | 120.0° |
| C24 | C25 | H23 | 110.5° | 109.5° |
| C24 | C25 | H24 | 110.5° | 109.5° |
| C25 | C26 | N27 | 115.1° | 120.1° |
| C25 | C26 | O36 | 126.9° | 120.0° |
| C26 | C25 | H23 | 110.4° | 109.5° |
| C26 | C25 | H24 | 110.4° | 109.5° |
| C24 | C17 | C18 | 117.7° | 119.7° |
| C17 | C24 | C21 | 118.4° | 120.1° |
| C17 | C18 | O38 | 116.4° | 120.1° |
| C17 | C18 | C19 | 125.0° | 119.6° |
| O38 | C18 | C19 | 118.5° | 120.2° |
| C18 | O38 | H43 | 109.5° | 114.0° |
| C26 | N27 | C28 | 116.9° | 120.0° |
| N27 | C26 | O36 | 118.0° | 120.0° |
| N27 | C28 | C29 | 108.5° | 109.4° |
| N27 | C28 | H7 | 109.7° | 109.5° |
| N27 | C28 | H8 | 109.7° | 109.5° |
| C24 | C21 | C22 | 120.0° | 119.8° |
| C24 | C21 | C20 | 122.7° | 120.4° |
| O14 | C15 | H2 | 109.5° | 109.4° |
| O14 | C15 | H3 | 109.5° | 109.5° |
| O14 | C15 | H4 | 109.5° | 109.4° |
| C18 | C19 | C20 | 115.3° | 119.9° |
| C18 | C19 | H19 | 122.4° | 120.1° |
| C28 | C29 | O30 | 108.2° | 109.5° |
| C29 | C28 | H7 | 109.7° | 109.4° |
| C29 | C28 | H8 | 109.7° | 109.5° |
| C28 | C29 | H25 | 109.8° | 109.5° |
| C28 | C29 | H26 | 109.8° | 109.5° |
| C29 | O30 | C31 | 114.3° | 114.0° |
| O30 | C29 | H25 | 109.8° | 109.4° |
| O30 | C29 | H26 | 109.8° | 109.5° |
| C23 | C22 | C21 | 105.7° | 109.5° |
| C23 | C22 | H5 | 110.4° | 109.4° |
| C23 | C22 | H6 | 110.4° | 109.4° |
| C22 | C23 | H20 | 109.5° | 109.5° |
| C22 | C23 | H21 | 109.4° | 109.5° |
| C22 | C23 | H22 | 109.5° | 109.5° |
| C22 | C21 | C20 | 117.2° | 119.8° |
| C21 | C22 | H5 | 110.4° | 109.5° |
| C21 | C22 | H6 | 110.4° | 109.5° |
| C21 | C20 | C19 | 120.8° | 120.3° |
| C21 | C20 | O37 | 118.7° | 119.9° |
| C19 | C20 | O37 | 120.5° | 119.8° |
| C20 | C19 | H19 | 122.3° | 120.0° |
| O30 | C31 | H27 | 109.5° | 109.5° |
| O30 | C31 | H28 | 109.5° | 109.5° |
| O30 | C31 | H29 | 109.5° | 109.5° |
| C20 | O37 | H42 | 109.5° | 113.9° |
| H2 | C15 | H3 | 109.5° | 109.5° |
| H2 | C15 | H4 | 109.4° | 109.4° |
| H3 | C15 | H4 | 109.5° | 109.5° |
| H5 | C22 | H6 | 109.5° | 109.5° |
| H7 | C28 | H8 | 109.5° | 109.5° |
| H9 | C02 | H10 | 109.5° | 109.5° |
| H11 | C03 | H12 | 109.5° | 109.6° |
| H13 | C05 | H14 | 109.5° | 109.5° |
| H15 | C06 | H16 | 109.5° | 109.4° |
| H20 | C23 | H21 | 109.5° | 109.5° |
| H20 | C23 | H22 | 109.4° | 109.4° |
| H21 | C23 | H22 | 109.5° | 109.5° |
| H23 | C25 | H24 | 109.5° | 109.4° |
| H25 | C29 | H26 | 109.5° | 109.4° |
| H27 | C31 | H28 | 109.4° | 109.4° |
| H27 | C31 | H29 | 109.5° | 109.4° |
| H28 | C31 | H29 | 109.5° | 109.5° |
| H30 | C32 | H31 | 109.5° | 109.5° |
| H32 | C33 | H33 | 109.5° | 109.5° |
| H34 | C35 | H35 | 109.5° | 109.5° |
| H34 | C35 | H36 | 109.4° | 109.5° |
| H35 | C35 | H36 | 109.5° | 109.4° |
| H37 | C40 | H38 | 109.5° | 109.5° |
| H39 | C41 | H40 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C35 | O34 | C33 | C32 | 167.2° | 180.0° |
| C35 | O34 | C33 | H32 | 72.3° | 60.0° |
| C35 | O34 | C33 | H33 | 46.8° | 60.0° |
| O34 | C35 | H34 | H35 | 120.0° | 120.0° |
| O34 | C35 | H34 | H36 | 120.0° | 120.0° |
| O34 | C35 | H35 | H36 | 120.0° | 120.0° |
| O34 | C33 | C32 | H32 | 120.5° | 120.0° |
| O34 | C33 | C32 | H33 | 120.5° | 120.0° |
| O34 | C33 | C32 | N27 | 170.6° | 65.0° |
| O34 | C33 | C32 | H30 | 70.6° | 175.0° |
| O34 | C33 | C32 | H31 | 51.9° | 55.0° |
| O34 | C33 | H32 | H33 | 118.6° | 120.0° |
| C33 | O34 | C35 | H34 | 180.0° | 180.0° |
| C33 | O34 | C35 | H35 | 60.0° | 60.0° |
| C33 | O34 | C35 | H36 | 60.0° | 60.0° |
| C05 | C06 | O07 | H15 | 120.0° | 120.0° |
| C05 | C06 | O07 | H16 | 120.1° | 120.0° |
| C06 | C05 | N04 | H13 | 120.6° | 120.0° |
| C06 | C05 | N04 | H14 | 120.6° | 120.0° |
| C06 | C05 | N04 | C40 | 54.1° | 66.4° |
| C06 | C05 | N04 | C03 | 177.3° | 170.0° |
| C05 | C06 | O07 | C08 | 171.2° | 180.0° |
| C06 | C05 | H13 | H14 | 118.2° | 120.0° |
| C05 | C06 | H15 | H16 | 120.0° | 120.0° |
| O07 | C06 | C05 | N04 | 52.2° | 65.0° |
| C06 | O07 | C08 | C09 | 12.4° | 0.8° |
| C06 | O07 | C08 | C13 | 166.1° | 180.0° |
| O07 | C06 | C05 | H13 | 172.7° | 175.0° |
| O07 | C06 | C05 | H14 | 68.4° | 55.0° |
| O07 | C06 | H15 | H16 | 119.9° | 120.0° |
| C05 | N04 | C40 | C03 | 121.6° | 123.7° |
| C05 | N04 | C40 | C41 | 175.9° | 177.6° |
| C05 | N04 | C03 | C02 | 179.6° | 177.6° |
| C05 | N04 | C03 | H11 | 59.9° | 57.7° |
| C05 | N04 | C03 | H12 | 59.1° | 62.4° |
| N04 | C05 | H13 | H14 | 118.2° | 120.0° |
| N04 | C05 | C06 | H15 | 172.2° | 175.0° |
| N04 | C05 | C06 | H16 | 67.9° | 55.1° |
| C05 | N04 | C40 | H37 | 63.2° | 62.4° |
| C05 | N04 | C40 | H38 | 55.1° | 57.7° |
| C10 | C09 | C08 | H17 | 180.0° | 179.9° |
| C09 | C10 | C11 | H1 | 180.0° | 179.7° |
| C10 | C09 | C08 | O07 | 180.0° | 179.7° |
| C10 | C09 | C08 | C13 | 1.5° | 0.4° |
| C09 | C10 | C11 | C16 | 179.3° | 179.7° |
| C09 | C10 | C11 | C12 | 1.5° | 0.3° |
| C08 | C09 | C10 | C11 | 1.1° | 0.0° |
| C09 | C08 | O07 | C13 | 178.5° | 179.3° |
| C09 | C08 | C13 | C12 | 0.5° | 0.7° |
| C09 | C08 | C13 | O14 | 177.7° | 179.7° |
| C08 | C09 | C10 | H1 | 179.0° | 179.8° |
| C10 | C11 | C16 | O39 | 13.4° | 174.7° |
| C10 | C11 | C16 | C12 | 177.9° | 179.9° |
| C10 | C11 | C16 | C17 | 166.5° | 5.3° |
| C10 | C11 | C12 | C13 | 3.4° | 0.0° |
| C11 | C10 | C09 | H17 | 178.9° | 179.9° |
| C10 | C11 | C12 | H18 | 176.6° | 179.5° |
| N04 | C40 | C41 | H37 | 120.9° | 120.0° |
| N04 | C40 | C41 | H38 | 120.8° | 119.9° |
| C40 | N04 | C03 | C02 | 57.3° | 58.6° |
| N04 | C40 | C41 | O01 | 47.2° | 56.9° |
| C40 | N04 | C03 | H11 | 63.2° | 178.6° |
| C40 | N04 | C03 | H12 | 177.7° | 61.3° |
| C40 | N04 | C05 | H13 | 66.4° | 53.6° |
| C40 | N04 | C05 | H14 | 174.7° | 173.6° |
| N04 | C40 | H37 | H38 | 117.4° | 120.1° |
| N04 | C40 | C41 | H39 | 73.2° | 63.1° |
| N04 | C40 | C41 | H40 | 167.6° | 176.8° |
| C41 | C40 | N04 | C03 | 54.4° | 58.7° |
| C40 | C41 | O01 | H39 | 120.4° | 120.0° |
| C40 | C41 | O01 | H40 | 120.5° | 120.0° |
| C40 | C41 | O01 | C02 | 42.6° | 58.7° |
| C41 | C40 | H37 | H38 | 117.4° | 120.1° |
| C40 | C41 | H39 | H40 | 118.7° | 120.1° |
| N04 | C03 | C02 | H11 | 120.5° | 119.9° |
| N04 | C03 | C02 | H12 | 120.5° | 119.9° |
| N04 | C03 | C02 | O01 | 55.0° | 56.8° |
| N04 | C03 | C02 | H9 | 175.5° | 176.8° |
| N04 | C03 | C02 | H10 | 65.6° | 63.1° |
| N04 | C03 | H11 | H12 | 118.5° | 120.1° |
| C03 | N04 | C05 | H13 | 56.8° | 70.0° |
| C03 | N04 | C05 | H14 | 62.1° | 50.0° |
| C03 | N04 | C40 | H37 | 175.2° | 61.3° |
| C03 | N04 | C40 | H38 | 66.5° | 178.5° |
| C03 | C02 | O01 | C41 | 46.8° | 58.6° |
| C03 | C02 | O01 | H9 | 120.6° | 120.0° |
| C03 | C02 | O01 | H10 | 120.5° | 119.9° |
| C03 | C02 | H9 | H10 | 118.3° | 120.1° |
| C02 | C03 | H11 | H12 | 118.5° | 120.1° |
| O39 | C16 | C11 | C17 | 180.0° | 180.0° |
| O39 | C16 | C11 | C12 | 168.6° | 5.2° |
| O39 | C16 | C17 | C24 | 113.4° | 92.0° |
| O39 | C16 | C17 | C18 | 68.1° | 88.3° |
| C33 | C32 | N27 | H30 | 118.7° | 120.0° |
| C33 | C32 | N27 | H31 | 118.7° | 120.0° |
| C33 | C32 | N27 | C26 | 99.4° | 90.0° |
| C33 | C32 | N27 | C28 | 78.5° | 90.0° |
| C33 | C32 | H30 | H31 | 123.6° | 120.0° |
| C32 | C33 | H32 | H33 | 118.5° | 120.0° |
| O07 | C08 | C13 | C12 | 178.0° | 180.0° |
| O07 | C08 | C13 | O14 | 0.8° | 0.5° |
| C08 | O07 | C06 | H15 | 68.7° | 60.0° |
| C08 | O07 | C06 | H16 | 51.2° | 60.0° |
| O07 | C08 | C09 | H17 | 0.0° | 0.2° |
| C08 | C13 | C12 | C11 | 2.8° | 0.5° |
| C08 | C13 | C12 | O14 | 177.2° | 179.6° |
| C08 | C13 | O14 | C15 | 169.7° | 179.5° |
| C13 | C08 | C09 | H17 | 178.5° | 179.5° |
| C08 | C13 | C12 | H18 | 177.1° | 180.0° |
| C41 | O01 | C02 | H9 | 167.3° | 178.6° |
| C41 | O01 | C02 | H10 | 73.7° | 61.3° |
| O01 | C41 | C40 | H37 | 168.1° | 63.1° |
| O01 | C41 | C40 | H38 | 73.6° | 176.8° |
| O01 | C41 | H39 | H40 | 118.6° | 120.1° |
| C16 | C11 | C12 | C13 | 178.8° | 179.9° |
| C11 | C16 | C17 | C24 | 66.5° | 87.9° |
| C11 | C16 | C17 | C18 | 111.9° | 91.7° |
| C16 | C11 | C10 | H1 | 0.7° | 0.1° |
| C16 | C11 | C12 | H18 | 1.2° | 0.6° |
| C12 | C11 | C16 | C17 | 11.4° | 174.8° |
| C11 | C12 | C13 | H18 | 180.0° | 179.5° |
| C11 | C12 | C13 | O14 | 179.9° | 180.0° |
| C12 | C11 | C10 | H1 | 178.5° | 180.0° |
| O01 | C02 | H9 | H10 | 118.4° | 120.1° |
| O01 | C02 | C03 | H11 | 65.5° | 176.7° |
| O01 | C02 | C03 | H12 | 175.5° | 63.1° |
| C02 | O01 | C41 | H39 | 77.8° | 61.3° |
| C02 | O01 | C41 | H40 | 163.1° | 178.6° |
| C16 | C17 | C24 | C25 | 0.4° | 0.4° |
| C16 | C17 | C24 | C18 | 178.4° | 179.7° |
| C16 | C17 | C18 | O38 | 0.8° | 0.3° |
| C16 | C17 | C24 | C21 | 178.5° | 179.7° |
| C16 | C17 | C18 | C19 | 179.7° | 179.7° |
| C32 | N27 | C26 | C25 | 2.3° | 0.0° |
| C32 | N27 | C26 | C28 | 178.0° | 179.9° |
| C32 | N27 | C26 | O36 | 178.2° | 179.9° |
| C32 | N27 | C28 | C29 | 59.6° | 90.0° |
| C32 | N27 | C28 | H7 | 60.2° | 29.9° |
| C32 | N27 | C28 | H8 | 179.5° | 150.0° |
| N27 | C32 | H30 | H31 | 123.7° | 120.0° |
| N27 | C32 | C33 | H32 | 50.1° | 175.0° |
| N27 | C32 | C33 | H33 | 68.9° | 55.0° |
| C12 | C13 | O14 | C15 | 7.5° | 0.1° |
| C13 | O14 | C15 | H2 | 180.0° | 180.0° |
| C13 | O14 | C15 | H3 | 60.0° | 60.0° |
| C13 | O14 | C15 | H4 | 60.0° | 60.1° |
| O14 | C13 | C12 | H18 | 0.1° | 0.4° |
| C24 | C25 | C26 | H23 | 119.4° | 120.0° |
| C24 | C25 | C26 | H24 | 119.4° | 120.0° |
| C25 | C24 | C17 | C21 | 178.9° | 180.0° |
| C25 | C24 | C17 | C18 | 178.0° | 180.0° |
| C24 | C25 | C26 | N27 | 176.5° | 180.0° |
| C24 | C25 | C26 | O36 | 4.2° | 0.0° |
| C25 | C24 | C21 | C22 | 4.9° | 0.1° |
| C25 | C24 | C21 | C20 | 178.8° | 180.0° |
| C24 | C25 | H23 | H24 | 121.8° | 120.0° |
| C26 | C25 | C24 | C17 | 113.1° | 85.7° |
| C25 | C26 | N27 | O36 | 179.4° | 180.0° |
| C25 | C26 | N27 | C28 | 179.6° | 180.0° |
| C26 | C25 | C24 | C21 | 68.1° | 94.3° |
| C26 | C25 | H23 | H24 | 121.8° | 120.0° |
| C24 | C17 | C18 | O38 | 179.3° | 180.0° |
| C24 | C17 | C18 | C19 | 1.8° | 0.0° |
| C17 | C24 | C21 | C22 | 174.0° | 180.0° |
| C17 | C24 | C21 | C20 | 2.3° | 0.0° |
| C17 | C24 | C25 | H23 | 127.6° | 154.3° |
| C17 | C24 | C25 | H24 | 6.3° | 34.4° |
| C17 | C18 | O38 | C19 | 178.9° | 180.0° |
| C18 | C17 | C24 | C21 | 3.1° | 0.0° |
| C17 | C18 | C19 | C20 | 0.4° | 0.0° |
| C17 | C18 | C19 | H19 | 179.6° | 180.0° |
| C17 | C18 | O38 | H43 | 18.8° | 89.7° |
| O38 | C18 | C19 | C20 | 178.4° | 180.0° |
| O38 | C18 | C19 | H19 | 1.6° | 0.0° |
| C26 | N27 | C28 | C29 | 122.4° | 90.0° |
| C26 | N27 | C28 | H7 | 117.7° | 150.0° |
| C26 | N27 | C28 | H8 | 2.6° | 30.0° |
| N27 | C26 | C25 | H23 | 64.1° | 60.0° |
| N27 | C26 | C25 | H24 | 57.1° | 60.0° |
| C26 | N27 | C32 | H30 | 19.4° | 150.0° |
| C26 | N27 | C32 | H31 | 141.9° | 30.0° |
| C28 | N27 | C26 | O36 | 0.2° | 0.0° |
| N27 | C28 | C29 | H7 | 119.9° | 119.9° |
| N27 | C28 | C29 | H8 | 119.9° | 120.0° |
| N27 | C28 | C29 | O30 | 74.3° | 65.1° |
| N27 | C28 | H7 | H8 | 120.5° | 120.1° |
| N27 | C28 | C29 | H25 | 45.5° | 175.0° |
| N27 | C28 | C29 | H26 | 165.9° | 55.0° |
| C28 | N27 | C32 | H30 | 162.8° | 30.1° |
| C28 | N27 | C32 | H31 | 40.2° | 150.0° |
| C24 | C21 | C22 | C23 | 85.5° | 90.0° |
| C24 | C21 | C22 | C20 | 176.5° | 180.0° |
| C24 | C21 | C20 | C19 | 0.0° | 0.0° |
| C24 | C21 | C20 | O37 | 178.4° | 180.0° |
| C24 | C21 | C22 | H5 | 155.0° | 30.0° |
| C24 | C21 | C22 | H6 | 33.9° | 150.1° |
| C21 | C24 | C25 | H23 | 51.3° | 25.8° |
| C21 | C24 | C25 | H24 | 172.6° | 145.7° |
| O14 | C15 | H2 | H3 | 120.0° | 120.0° |
| O14 | C15 | H2 | H4 | 120.0° | 119.9° |
| O14 | C15 | H3 | H4 | 120.0° | 120.0° |
| C18 | C19 | C20 | C21 | 1.4° | 0.0° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | O37 | 179.7° | 180.0° |
| C19 | C18 | O38 | H43 | 160.1° | 90.3° |
| O36 | C26 | C25 | H23 | 115.2° | 120.0° |
| O36 | C26 | C25 | H24 | 123.6° | 120.1° |
| C28 | C29 | O30 | H25 | 119.8° | 120.0° |
| C28 | C29 | O30 | H26 | 119.8° | 120.1° |
| C28 | C29 | O30 | C31 | 171.5° | 180.0° |
| C29 | C28 | H7 | H8 | 120.4° | 120.0° |
| C28 | C29 | H25 | H26 | 120.6° | 120.0° |
| O30 | C29 | C28 | H7 | 165.8° | 175.0° |
| O30 | C29 | C28 | H8 | 45.6° | 55.0° |
| O30 | C29 | H25 | H26 | 120.6° | 120.0° |
| C29 | O30 | C31 | H27 | 180.0° | 180.0° |
| C29 | O30 | C31 | H28 | 60.0° | 60.1° |
| C29 | O30 | C31 | H29 | 60.0° | 60.0° |
| C23 | C22 | C21 | H5 | 119.4° | 120.0° |
| C23 | C22 | C21 | H6 | 119.4° | 119.9° |
| C23 | C22 | C21 | C20 | 91.0° | 90.0° |
| C23 | C22 | H5 | H6 | 121.8° | 120.0° |
| C22 | C23 | H20 | H21 | 120.0° | 120.0° |
| C22 | C23 | H20 | H22 | 120.0° | 120.0° |
| C22 | C23 | H21 | H22 | 120.0° | 120.0° |
| C22 | C21 | C20 | C19 | 176.5° | 180.0° |
| C22 | C21 | C20 | O37 | 5.2° | 0.0° |
| C21 | C22 | H5 | H6 | 121.7° | 120.1° |
| C21 | C22 | C23 | H20 | 180.0° | 60.0° |
| C21 | C22 | C23 | H21 | 60.0° | 180.0° |
| C21 | C22 | C23 | H22 | 60.0° | 59.9° |
| C21 | C20 | C19 | O37 | 178.3° | 179.9° |
| C20 | C21 | C22 | H5 | 28.4° | 150.0° |
| C20 | C21 | C22 | H6 | 149.6° | 29.9° |
| C21 | C20 | C19 | H19 | 178.6° | 180.0° |
| C21 | C20 | O37 | H42 | 180.0° | 89.9° |
| C19 | C20 | O37 | H42 | 1.6° | 90.1° |
| C31 | O30 | C29 | H25 | 68.7° | 60.0° |
| C31 | O30 | C29 | H26 | 51.7° | 59.9° |
| O30 | C31 | H27 | H28 | 120.0° | 120.0° |
| O30 | C31 | H27 | H29 | 120.0° | 120.0° |
| O30 | C31 | H28 | H29 | 120.0° | 120.1° |
| O37 | C20 | C19 | H19 | 0.3° | 0.1° |
| H1 | C10 | C09 | H17 | 1.0° | 0.3° |
| H2 | C15 | H3 | H4 | 120.0° | 120.0° |
| H5 | C22 | C23 | H20 | 60.6° | 60.0° |
| H5 | C22 | C23 | H21 | 59.4° | 60.0° |
| H5 | C22 | C23 | H22 | 179.4° | 180.0° |
| H6 | C22 | C23 | H20 | 60.6° | 179.9° |
| H6 | C22 | C23 | H21 | 179.4° | 60.0° |
| H6 | C22 | C23 | H22 | 59.4° | 60.0° |
| H7 | C28 | C29 | H25 | 74.4° | 55.0° |
| H7 | C28 | C29 | H26 | 46.0° | 65.0° |
| H8 | C28 | C29 | H25 | 165.3° | 65.0° |
| H8 | C28 | C29 | H26 | 74.2° | 175.0° |
| H9 | C02 | C03 | H11 | 55.0° | 63.3° |
| H9 | C02 | C03 | H12 | 64.0° | 56.9° |
| H10 | C02 | C03 | H11 | 174.0° | 56.9° |
| H10 | C02 | C03 | H12 | 54.9° | 177.0° |
| H13 | C05 | C06 | H15 | 67.2° | 55.0° |
| H13 | C05 | C06 | H16 | 52.7° | 64.9° |
| H14 | C05 | C06 | H15 | 51.6° | 65.0° |
| H14 | C05 | C06 | H16 | 171.6° | 175.1° |
| H20 | C23 | H21 | H22 | 119.9° | 119.9° |
| H27 | C31 | H28 | H29 | 120.0° | 120.0° |
| H30 | C32 | C33 | H32 | 168.9° | 55.0° |
| H30 | C32 | C33 | H33 | 49.9° | 65.0° |
| H31 | C32 | C33 | H32 | 68.6° | 65.0° |
| H31 | C32 | C33 | H33 | 172.4° | 175.0° |
| H34 | C35 | H35 | H36 | 120.0° | 120.0° |
| H37 | C40 | C41 | H39 | 47.6° | 176.9° |
| H37 | C40 | C41 | H40 | 71.5° | 56.8° |
| H38 | C40 | C41 | H39 | 166.0° | 56.8° |
| H38 | C40 | C41 | H40 | 46.8° | 63.2° |
