UE5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C39 | C40 | sing | 1.53Å | 1.58Å | |
| C39 | N06 | sing | 1.47Å | 1.35Å | |
| C34 | C35 | doub | 1.38Å | 1.40Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.41Å | Aromatic |
| C07 | N06 | sing | 1.47Å | 1.34Å | |
| C07 | C08 | sing | 1.51Å | 1.57Å | |
| C40 | C02 | sing | 1.53Å | 1.54Å | |
| C35 | C30 | sing | 1.38Å | 1.42Å | Aromatic |
| N06 | C05 | sing | 1.47Å | 1.29Å | |
| C09 | C08 | doub | 1.38Å | 1.42Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C01 | C02 | sing | 1.53Å | 1.54Å | |
| C33 | C32 | doub | 1.38Å | 1.41Å | Aromatic |
| C08 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C04 | sing | 1.53Å | 1.49Å | |
| C02 | C04 | sing | 1.53Å | 1.50Å | |
| C02 | C03 | sing | 1.53Å | 1.52Å | |
| C30 | C29 | sing | 1.51Å | 1.55Å | |
| C30 | C31 | doub | 1.38Å | 1.41Å | Aromatic |
| C29 | N28 | sing | 1.46Å | 1.46Å | |
| C10 | C13 | doub | 1.40Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C31 | sing | 1.38Å | 1.41Å | Aromatic |
| C20 | C19 | sing | 1.53Å | 1.57Å | |
| C20 | N22 | sing | 1.47Å | 1.46Å | |
| C13 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.48Å | 1.53Å | |
| N28 | C27 | sing | 1.39Å | 1.46Å | |
| C19 | C18 | sing | 1.53Å | 1.56Å | |
| C36 | C27 | doub | 1.39Å | 1.38Å | Aromatic |
| C36 | C23 | sing | 1.39Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C27 | N26 | sing | 1.33Å | 1.35Å | Aromatic |
| N22 | C23 | sing | 1.39Å | 1.47Å | |
| N22 | C21 | sing | 1.47Å | 1.49Å | |
| C14 | O38 | doub | 1.22Å | 1.20Å | |
| C14 | N15 | sing | 1.35Å | 1.47Å | |
| C23 | N24 | doub | 1.33Å | 1.34Å | Aromatic |
| C21 | C17 | sing | 1.53Å | 1.53Å | |
| N15 | C16 | sing | 1.46Å | 1.48Å | |
| C17 | C16 | sing | 1.53Å | 1.57Å | |
| C17 | O37 | sing | 1.43Å | 1.41Å | |
| N26 | C25 | doub | 1.32Å | 1.37Å | Aromatic |
| N24 | C25 | sing | 1.32Å | 1.37Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C03 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.09Å | 1.10Å | |
| C04 | H13 | sing | 1.09Å | 1.10Å | |
| C05 | H14 | sing | 1.09Å | 1.10Å | |
| C05 | H15 | sing | 1.09Å | 1.10Å | |
| C07 | H16 | sing | 1.09Å | 1.10Å | |
| C07 | H17 | sing | 1.09Å | 1.10Å | |
| C09 | H18 | sing | 1.08Å | 1.08Å | |
| C11 | H19 | sing | 1.08Å | 1.08Å | |
| C12 | H20 | sing | 1.08Å | 1.08Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.08Å | 1.08Å | |
| C32 | H31 | sing | 1.08Å | 1.08Å | |
| C33 | H32 | sing | 1.08Å | 1.08Å | |
| C34 | H33 | sing | 1.08Å | 1.08Å | |
| C35 | H34 | sing | 1.08Å | 1.08Å | |
| C36 | H35 | sing | 1.08Å | 1.08Å | |
| C39 | H36 | sing | 1.09Å | 1.10Å | |
| C39 | H37 | sing | 1.09Å | 1.10Å | |
| C40 | H38 | sing | 1.09Å | 1.10Å | |
| C40 | H39 | sing | 1.09Å | 1.10Å | |
| N15 | H41 | sing | 0.97Å | 1.00Å | |
| N28 | H42 | sing | 0.97Å | 1.00Å | |
| O37 | H43 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C40 | C39 | N06 | 112.4° | 109.5° |
| C39 | C40 | C02 | 114.1° | 109.3° |
| C40 | C39 | H36 | 108.7° | 109.4° |
| C40 | C39 | H37 | 108.7° | 109.4° |
| C39 | C40 | H38 | 108.3° | 109.4° |
| C39 | C40 | H39 | 108.3° | 109.5° |
| C39 | N06 | C07 | 111.0° | 111.0° |
| C39 | N06 | C05 | 109.8° | 111.2° |
| N06 | C39 | H36 | 108.7° | 109.5° |
| N06 | C39 | H37 | 108.8° | 109.5° |
| C35 | C34 | C33 | 119.4° | 120.0° |
| C34 | C35 | C30 | 120.5° | 120.0° |
| C35 | C34 | H33 | 120.3° | 120.0° |
| C34 | C35 | H34 | 119.7° | 120.0° |
| C34 | C33 | C32 | 120.4° | 120.0° |
| C34 | C33 | H32 | 119.8° | 120.0° |
| C33 | C34 | H33 | 120.3° | 120.0° |
| N06 | C07 | C08 | 112.3° | 109.4° |
| C07 | N06 | C05 | 109.8° | 111.1° |
| N06 | C07 | H16 | 108.8° | 109.4° |
| N06 | C07 | H17 | 108.8° | 109.5° |
| C07 | C08 | C09 | 119.6° | 119.9° |
| C07 | C08 | C11 | 121.9° | 119.8° |
| C08 | C07 | H16 | 108.8° | 109.5° |
| C08 | C07 | H17 | 108.7° | 109.5° |
| C40 | C02 | C01 | 108.0° | 109.5° |
| C40 | C02 | C04 | 112.2° | 109.2° |
| C40 | C02 | C03 | 112.4° | 109.6° |
| C02 | C40 | H38 | 108.3° | 109.5° |
| C02 | C40 | H39 | 108.3° | 109.6° |
| C35 | C30 | C29 | 118.1° | 120.0° |
| C35 | C30 | C31 | 120.0° | 120.0° |
| C30 | C35 | H34 | 119.7° | 120.0° |
| N06 | C05 | C04 | 113.5° | 109.6° |
| N06 | C05 | H14 | 108.5° | 109.4° |
| N06 | C05 | H15 | 108.4° | 109.5° |
| C08 | C09 | C10 | 120.4° | 120.1° |
| C09 | C08 | C11 | 118.5° | 120.3° |
| C08 | C09 | H18 | 119.8° | 119.9° |
| C09 | C10 | C13 | 119.7° | 119.9° |
| C09 | C10 | H1 | 120.1° | 120.1° |
| C10 | C09 | H18 | 119.8° | 119.9° |
| C01 | C02 | C04 | 108.5° | 109.5° |
| C01 | C02 | C03 | 110.7° | 109.5° |
| C02 | C01 | H6 | 109.5° | 109.5° |
| C02 | C01 | H7 | 109.4° | 109.5° |
| C02 | C01 | H8 | 109.4° | 109.5° |
| C33 | C32 | C31 | 120.4° | 120.0° |
| C33 | C32 | H31 | 119.8° | 120.0° |
| C32 | C33 | H32 | 119.8° | 120.0° |
| C08 | C11 | C12 | 120.8° | 120.1° |
| C08 | C11 | H19 | 119.6° | 119.9° |
| C05 | C04 | C02 | 111.3° | 109.3° |
| C05 | C04 | H12 | 109.0° | 109.6° |
| C05 | C04 | H13 | 109.0° | 109.5° |
| C04 | C05 | H14 | 108.4° | 109.5° |
| C04 | C05 | H15 | 108.5° | 109.5° |
| C04 | C02 | C03 | 104.9° | 109.5° |
| C02 | C04 | H12 | 109.0° | 109.5° |
| C02 | C04 | H13 | 109.0° | 109.4° |
| C02 | C03 | H9 | 109.5° | 109.5° |
| C02 | C03 | H10 | 109.5° | 109.5° |
| C02 | C03 | H11 | 109.5° | 109.5° |
| C29 | C30 | C31 | 121.9° | 120.0° |
| C30 | C29 | N28 | 117.3° | 109.5° |
| C30 | C29 | H28 | 107.5° | 109.4° |
| C30 | C29 | H29 | 107.5° | 109.5° |
| C30 | C31 | C32 | 119.3° | 120.0° |
| C30 | C31 | H30 | 120.4° | 120.0° |
| C29 | N28 | C27 | 122.8° | 120.0° |
| N28 | C29 | H28 | 107.5° | 109.5° |
| N28 | C29 | H29 | 107.4° | 109.5° |
| C29 | N28 | H42 | 106.1° | 120.0° |
| C10 | C13 | C12 | 120.6° | 119.7° |
| C10 | C13 | C14 | 121.9° | 120.2° |
| C13 | C10 | H1 | 120.1° | 120.1° |
| C11 | C12 | C13 | 119.9° | 119.9° |
| C12 | C11 | H19 | 119.6° | 119.9° |
| C11 | C12 | H20 | 120.0° | 120.1° |
| C32 | C31 | H30 | 120.3° | 120.0° |
| C31 | C32 | H31 | 119.8° | 120.0° |
| C19 | C20 | N22 | 107.8° | 109.5° |
| C20 | C19 | C18 | 111.1° | 109.3° |
| C19 | C20 | H2 | 109.9° | 109.4° |
| C19 | C20 | H3 | 109.9° | 109.4° |
| C20 | C19 | H25 | 109.1° | 109.5° |
| C20 | C19 | H26 | 109.1° | 109.5° |
| C20 | N22 | C23 | 116.9° | 111.0° |
| C20 | N22 | C21 | 121.4° | 111.1° |
| N22 | C20 | H2 | 109.9° | 109.5° |
| N22 | C20 | H3 | 109.9° | 109.4° |
| C12 | C13 | C14 | 117.5° | 120.1° |
| C13 | C12 | H20 | 120.0° | 120.1° |
| C13 | C14 | O38 | 122.9° | 120.0° |
| C13 | C14 | N15 | 118.0° | 120.0° |
| N28 | C27 | C36 | 120.3° | 120.5° |
| N28 | C27 | N26 | 119.0° | 120.5° |
| C27 | N28 | H42 | 106.1° | 120.0° |
| C19 | C18 | C17 | 111.0° | 109.2° |
| C19 | C18 | H23 | 109.1° | 109.5° |
| C19 | C18 | H24 | 109.1° | 109.6° |
| C18 | C19 | H25 | 109.0° | 109.6° |
| C18 | C19 | H26 | 109.1° | 109.5° |
| C27 | C36 | C23 | 117.6° | 118.3° |
| C36 | C27 | N26 | 120.7° | 119.1° |
| C27 | C36 | H35 | 121.2° | 120.9° |
| C36 | C23 | N22 | 118.6° | 120.5° |
| C36 | C23 | N24 | 121.9° | 119.0° |
| C23 | C36 | H35 | 121.2° | 120.8° |
| C18 | C17 | C21 | 107.0° | 109.3° |
| C18 | C17 | C16 | 110.4° | 109.4° |
| C18 | C17 | O37 | 111.4° | 109.5° |
| C17 | C18 | H23 | 109.1° | 109.5° |
| C17 | C18 | H24 | 109.1° | 109.5° |
| C27 | N26 | C25 | 120.3° | 120.9° |
| C23 | N22 | C21 | 120.7° | 111.1° |
| N22 | C23 | N24 | 119.4° | 120.4° |
| N22 | C21 | C17 | 114.5° | 109.6° |
| N22 | C21 | H4 | 108.2° | 109.5° |
| N22 | C21 | H5 | 108.2° | 109.4° |
| O38 | C14 | N15 | 119.0° | 120.0° |
| C14 | N15 | C16 | 115.4° | 120.0° |
| C14 | N15 | H41 | 122.2° | 120.0° |
| C23 | N24 | C25 | 119.4° | 120.9° |
| C21 | C17 | C16 | 109.2° | 109.5° |
| C21 | C17 | O37 | 112.9° | 109.6° |
| C17 | C21 | H4 | 108.2° | 109.5° |
| C17 | C21 | H5 | 108.2° | 109.5° |
| N15 | C16 | C17 | 106.9° | 109.5° |
| N15 | C16 | H21 | 110.1° | 109.5° |
| N15 | C16 | H22 | 110.1° | 109.5° |
| C16 | N15 | H41 | 122.3° | 120.0° |
| C16 | C17 | O37 | 105.9° | 109.5° |
| C17 | C16 | H21 | 110.1° | 109.5° |
| C17 | C16 | H22 | 110.1° | 109.4° |
| C17 | O37 | H43 | 109.5° | 114.0° |
| N26 | C25 | N24 | 119.9° | 121.9° |
| N26 | C25 | H27 | 120.0° | 119.1° |
| N24 | C25 | H27 | 120.0° | 119.0° |
| H2 | C20 | H3 | 109.5° | 109.5° |
| H4 | C21 | H5 | 109.5° | 109.4° |
| H6 | C01 | H7 | 109.5° | 109.5° |
| H6 | C01 | H8 | 109.4° | 109.5° |
| H7 | C01 | H8 | 109.5° | 109.4° |
| H9 | C03 | H10 | 109.5° | 109.4° |
| H9 | C03 | H11 | 109.5° | 109.5° |
| H10 | C03 | H11 | 109.4° | 109.4° |
| H12 | C04 | H13 | 109.5° | 109.5° |
| H14 | C05 | H15 | 109.4° | 109.4° |
| H16 | C07 | H17 | 109.5° | 109.5° |
| H21 | C16 | H22 | 109.5° | 109.5° |
| H23 | C18 | H24 | 109.5° | 109.5° |
| H25 | C19 | H26 | 109.5° | 109.5° |
| H28 | C29 | H29 | 109.5° | 109.4° |
| H36 | C39 | H37 | 109.5° | 109.5° |
| H38 | C40 | H39 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C40 | C39 | N06 | H36 | 120.4° | 120.0° |
| C40 | C39 | N06 | H37 | 120.4° | 119.9° |
| C40 | C39 | N06 | C07 | 177.9° | 174.2° |
| C39 | C40 | C02 | H38 | 120.7° | 119.9° |
| C39 | C40 | C02 | H39 | 120.7° | 120.0° |
| C40 | C39 | N06 | C05 | 60.5° | 61.7° |
| C39 | C40 | C02 | C01 | 93.1° | 62.3° |
| C39 | C40 | C02 | C04 | 26.5° | 57.6° |
| C39 | C40 | C02 | C03 | 144.4° | 177.6° |
| C40 | C39 | H36 | H37 | 118.6° | 119.9° |
| C39 | C40 | H38 | H39 | 117.9° | 120.0° |
| C39 | N06 | C07 | C05 | 121.6° | 124.2° |
| C39 | N06 | C07 | C08 | 166.0° | 170.0° |
| N06 | C39 | C40 | C02 | 38.1° | 59.1° |
| C39 | N06 | C05 | C04 | 73.4° | 61.7° |
| C39 | N06 | C05 | H14 | 166.0° | 58.3° |
| C39 | N06 | C05 | H15 | 47.2° | 178.2° |
| C39 | N06 | C07 | H16 | 73.5° | 70.0° |
| C39 | N06 | C07 | H17 | 45.6° | 50.0° |
| N06 | C39 | H36 | H37 | 118.7° | 120.0° |
| N06 | C39 | C40 | H38 | 158.8° | 60.8° |
| N06 | C39 | C40 | H39 | 82.6° | 179.2° |
| C35 | C34 | C33 | H33 | 180.0° | 179.5° |
| C34 | C35 | C30 | H34 | 180.0° | 179.5° |
| C35 | C34 | C33 | C32 | 0.3° | 0.3° |
| C34 | C35 | C30 | C29 | 179.4° | 179.7° |
| C34 | C35 | C30 | C31 | 0.2° | 0.5° |
| C35 | C34 | C33 | H32 | 179.7° | 179.8° |
| C33 | C34 | C35 | C30 | 0.3° | 0.5° |
| C34 | C33 | C32 | H32 | 180.0° | 180.0° |
| C34 | C33 | C32 | C31 | 0.2° | 0.0° |
| C34 | C33 | C32 | H31 | 179.8° | 180.0° |
| C33 | C34 | C35 | H34 | 179.7° | 180.0° |
| N06 | C07 | C08 | H16 | 120.4° | 120.0° |
| N06 | C07 | C08 | H17 | 120.4° | 120.0° |
| N06 | C07 | C08 | C09 | 117.4° | 90.8° |
| N06 | C07 | C08 | C11 | 64.7° | 90.0° |
| C07 | N06 | C05 | C04 | 164.2° | 174.2° |
| C07 | N06 | C05 | H14 | 43.6° | 65.8° |
| C07 | N06 | C05 | H15 | 75.1° | 54.1° |
| N06 | C07 | H16 | H17 | 118.7° | 120.0° |
| C07 | N06 | C39 | H36 | 57.4° | 54.1° |
| C07 | N06 | C39 | H37 | 61.7° | 65.9° |
| C08 | C07 | N06 | C05 | 44.4° | 65.8° |
| C07 | C08 | C09 | C11 | 177.9° | 179.2° |
| C07 | C08 | C09 | C10 | 179.6° | 179.7° |
| C07 | C08 | C11 | C12 | 179.4° | 180.0° |
| C08 | C07 | H16 | H17 | 118.7° | 120.0° |
| C07 | C08 | C09 | H18 | 0.4° | 0.3° |
| C07 | C08 | C11 | H19 | 0.6° | 0.0° |
| C40 | C02 | C01 | C04 | 121.9° | 119.7° |
| C40 | C02 | C01 | C03 | 123.5° | 120.2° |
| C40 | C02 | C04 | C05 | 34.5° | 57.6° |
| C40 | C02 | C04 | C03 | 122.3° | 120.0° |
| C40 | C02 | C01 | H6 | 180.0° | 59.7° |
| C40 | C02 | C01 | H7 | 60.0° | 60.3° |
| C40 | C02 | C01 | H8 | 60.0° | 179.7° |
| C40 | C02 | C03 | H9 | 180.0° | 60.1° |
| C40 | C02 | C03 | H10 | 60.0° | 59.9° |
| C40 | C02 | C03 | H11 | 60.0° | 179.8° |
| C40 | C02 | C04 | H12 | 85.8° | 177.6° |
| C40 | C02 | C04 | H13 | 154.7° | 62.3° |
| C02 | C40 | C39 | H36 | 158.5° | 179.2° |
| C02 | C40 | C39 | H37 | 82.4° | 60.8° |
| C02 | C40 | H38 | H39 | 117.9° | 120.2° |
| C35 | C30 | C29 | C31 | 179.5° | 179.8° |
| C35 | C30 | C29 | N28 | 169.9° | 90.2° |
| C35 | C30 | C31 | C32 | 0.0° | 0.3° |
| C35 | C30 | C29 | H28 | 68.9° | 29.8° |
| C35 | C30 | C29 | H29 | 48.8° | 149.7° |
| C35 | C30 | C31 | H30 | 180.0° | 179.7° |
| C30 | C35 | C34 | H33 | 179.7° | 180.0° |
| N06 | C05 | C04 | H14 | 120.6° | 120.0° |
| N06 | C05 | C04 | H15 | 120.6° | 120.0° |
| N06 | C05 | C04 | C02 | 59.7° | 59.1° |
| N06 | C05 | C04 | H12 | 60.6° | 179.1° |
| N06 | C05 | C04 | H13 | 179.9° | 60.8° |
| N06 | C05 | H14 | H15 | 118.1° | 119.9° |
| C05 | N06 | C07 | H16 | 164.9° | 54.2° |
| C05 | N06 | C07 | H17 | 76.0° | 174.3° |
| C05 | N06 | C39 | H36 | 179.1° | 178.3° |
| C05 | N06 | C39 | H37 | 59.9° | 58.3° |
| C08 | C09 | C10 | H18 | 180.0° | 180.0° |
| C08 | C09 | C10 | C13 | 0.5° | 0.0° |
| C09 | C08 | C11 | C12 | 2.7° | 0.8° |
| C08 | C09 | C10 | H1 | 179.5° | 179.7° |
| C09 | C08 | C07 | H16 | 122.2° | 29.2° |
| C09 | C08 | C07 | H17 | 3.0° | 149.3° |
| C09 | C08 | C11 | H19 | 177.3° | 179.2° |
| C10 | C09 | C08 | C11 | 2.5° | 0.5° |
| C09 | C10 | C13 | H1 | 180.0° | 179.7° |
| C09 | C10 | C13 | C12 | 1.2° | 0.3° |
| C09 | C10 | C13 | C14 | 177.8° | 179.8° |
| C01 | C02 | C04 | C05 | 84.8° | 62.3° |
| C01 | C02 | C04 | C03 | 118.4° | 120.1° |
| C02 | C01 | H6 | H7 | 120.0° | 120.0° |
| C02 | C01 | H6 | H8 | 120.0° | 120.0° |
| C02 | C01 | H7 | H8 | 120.0° | 120.0° |
| C01 | C02 | C03 | H9 | 59.0° | 60.0° |
| C01 | C02 | C03 | H10 | 60.9° | 180.0° |
| C01 | C02 | C03 | H11 | 179.1° | 60.0° |
| C01 | C02 | C04 | H12 | 154.9° | 57.7° |
| C01 | C02 | C04 | H13 | 35.4° | 177.8° |
| C01 | C02 | C40 | H38 | 27.5° | 177.8° |
| C01 | C02 | C40 | H39 | 146.2° | 57.7° |
| C33 | C32 | C31 | C30 | 0.1° | 0.0° |
| C33 | C32 | C31 | H31 | 180.0° | 179.9° |
| C33 | C32 | C31 | H30 | 179.9° | 180.0° |
| C32 | C33 | C34 | H33 | 179.7° | 179.8° |
| C08 | C11 | C12 | H19 | 180.0° | 180.0° |
| C08 | C11 | C12 | C13 | 1.0° | 0.5° |
| C11 | C08 | C07 | H16 | 55.7° | 150.0° |
| C11 | C08 | C07 | H17 | 174.8° | 30.0° |
| C11 | C08 | C09 | H18 | 177.5° | 179.5° |
| C08 | C11 | C12 | H20 | 179.0° | 179.5° |
| C05 | C04 | C02 | H12 | 120.3° | 120.0° |
| C05 | C04 | C02 | H13 | 120.3° | 120.0° |
| C05 | C04 | C02 | C03 | 156.8° | 177.6° |
| C05 | C04 | H12 | H13 | 119.2° | 120.2° |
| C04 | C05 | H14 | H15 | 118.1° | 120.0° |
| C04 | C02 | C01 | H6 | 58.1° | 60.0° |
| C04 | C02 | C01 | H7 | 61.9° | 180.0° |
| C04 | C02 | C01 | H8 | 178.1° | 60.0° |
| C04 | C02 | C03 | H9 | 57.8° | 179.9° |
| C04 | C02 | C03 | H10 | 177.8° | 59.9° |
| C04 | C02 | C03 | H11 | 62.2° | 60.1° |
| C02 | C04 | H12 | H13 | 119.1° | 120.0° |
| C02 | C04 | C05 | H14 | 179.7° | 60.9° |
| C02 | C04 | C05 | H15 | 61.0° | 179.2° |
| C04 | C02 | C40 | H38 | 147.1° | 62.3° |
| C04 | C02 | C40 | H39 | 94.2° | 177.6° |
| C03 | C02 | C01 | H6 | 56.5° | 179.9° |
| C03 | C02 | C01 | H7 | 176.5° | 59.8° |
| C03 | C02 | C01 | H8 | 63.5° | 60.1° |
| C02 | C03 | H9 | H10 | 120.0° | 120.0° |
| C02 | C03 | H9 | H11 | 120.0° | 120.0° |
| C02 | C03 | H10 | H11 | 120.0° | 120.0° |
| C03 | C02 | C04 | H12 | 36.5° | 62.4° |
| C03 | C02 | C04 | H13 | 83.0° | 57.6° |
| C03 | C02 | C40 | H38 | 95.0° | 57.7° |
| C03 | C02 | C40 | H39 | 23.7° | 62.4° |
| C30 | C29 | N28 | H28 | 121.1° | 120.0° |
| C30 | C29 | N28 | H29 | 121.1° | 120.0° |
| C29 | C30 | C31 | C32 | 179.5° | 179.9° |
| C30 | C29 | N28 | C27 | 91.0° | 180.0° |
| C30 | C29 | H28 | H29 | 116.4° | 119.9° |
| C29 | C30 | C31 | H30 | 0.5° | 0.1° |
| C29 | C30 | C35 | H34 | 0.6° | 0.2° |
| C30 | C29 | N28 | H42 | 147.1° | 0.0° |
| C31 | C30 | C29 | N28 | 10.5° | 90.0° |
| C30 | C31 | C32 | H30 | 180.0° | 180.0° |
| C31 | C30 | C29 | H28 | 110.6° | 150.0° |
| C31 | C30 | C29 | H29 | 131.6° | 30.1° |
| C30 | C31 | C32 | H31 | 180.0° | 180.0° |
| C31 | C30 | C35 | H34 | 179.9° | 180.0° |
| C29 | N28 | C27 | H42 | 121.9° | 180.0° |
| C29 | N28 | C27 | C36 | 3.7° | 0.0° |
| C29 | N28 | C27 | N26 | 175.5° | 180.0° |
| N28 | C29 | H28 | H29 | 116.4° | 120.0° |
| C10 | C13 | C12 | C11 | 1.0° | 0.0° |
| C10 | C13 | C12 | C14 | 176.7° | 180.0° |
| C10 | C13 | C14 | O38 | 20.7° | 0.0° |
| C10 | C13 | C14 | N15 | 156.7° | 180.0° |
| C13 | C10 | C09 | H18 | 179.5° | 180.0° |
| C10 | C13 | C12 | H20 | 179.0° | 180.0° |
| C11 | C12 | C13 | H20 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 177.7° | 180.0° |
| C31 | C32 | C33 | H32 | 179.8° | 180.0° |
| C19 | C20 | N22 | H2 | 119.7° | 120.0° |
| C19 | C20 | N22 | H3 | 119.7° | 120.0° |
| C20 | C19 | C18 | H25 | 120.2° | 119.9° |
| C20 | C19 | C18 | H26 | 120.3° | 119.9° |
| C20 | C19 | C18 | C17 | 62.7° | 57.6° |
| C19 | C20 | N22 | C23 | 124.6° | 174.2° |
| C19 | C20 | N22 | C21 | 44.2° | 61.7° |
| C19 | C20 | H2 | H3 | 120.8° | 120.0° |
| C20 | C19 | C18 | H23 | 177.1° | 177.6° |
| C20 | C19 | C18 | H24 | 57.6° | 62.3° |
| C20 | C19 | H25 | H26 | 119.3° | 120.0° |
| N22 | C20 | C19 | C18 | 50.6° | 59.2° |
| C20 | N22 | C23 | C36 | 23.5° | 56.3° |
| C20 | N22 | C23 | C21 | 168.9° | 124.2° |
| C20 | N22 | C23 | N24 | 156.8° | 123.9° |
| C20 | N22 | C21 | C17 | 45.8° | 61.7° |
| N22 | C20 | H2 | H3 | 120.8° | 120.0° |
| C20 | N22 | C21 | H4 | 74.9° | 58.4° |
| C20 | N22 | C21 | H5 | 166.6° | 178.2° |
| N22 | C20 | C19 | H25 | 69.6° | 179.2° |
| N22 | C20 | C19 | H26 | 170.8° | 60.8° |
| C12 | C13 | C14 | O38 | 162.7° | 180.0° |
| C12 | C13 | C14 | N15 | 19.9° | 0.0° |
| C12 | C13 | C10 | H1 | 178.8° | 180.0° |
| C13 | C12 | C11 | H19 | 179.0° | 179.5° |
| C13 | C14 | O38 | N15 | 177.4° | 180.0° |
| C13 | C14 | N15 | C16 | 179.3° | 180.0° |
| C14 | C13 | C10 | H1 | 2.2° | 0.1° |
| C14 | C13 | C12 | H20 | 2.3° | 0.0° |
| C13 | C14 | N15 | H41 | 0.7° | 0.1° |
| N28 | C27 | C36 | N26 | 179.2° | 180.0° |
| N28 | C27 | C36 | C23 | 179.0° | 180.0° |
| N28 | C27 | N26 | C25 | 179.1° | 180.0° |
| C27 | N28 | C29 | H28 | 30.1° | 60.0° |
| C27 | N28 | C29 | H29 | 147.9° | 60.0° |
| N28 | C27 | C36 | H35 | 1.0° | 0.1° |
| C19 | C18 | C17 | H23 | 120.2° | 119.9° |
| C19 | C18 | C17 | H24 | 120.2° | 120.0° |
| C19 | C18 | C17 | C21 | 59.2° | 57.6° |
| C19 | C18 | C17 | C16 | 177.9° | 62.3° |
| C19 | C18 | C17 | O37 | 64.7° | 177.7° |
| C18 | C19 | C20 | H2 | 69.1° | 179.2° |
| C18 | C19 | C20 | H3 | 170.3° | 60.8° |
| C19 | C18 | H23 | H24 | 119.3° | 120.2° |
| C18 | C19 | H25 | H26 | 119.3° | 120.1° |
| C27 | C36 | C23 | H35 | 180.0° | 179.9° |
| C27 | C36 | C23 | N22 | 179.9° | 179.7° |
| C27 | C36 | C23 | N24 | 0.3° | 0.1° |
| C36 | C27 | N26 | C25 | 0.1° | 0.0° |
| C36 | C27 | N28 | H42 | 118.1° | 180.0° |
| C23 | C36 | C27 | N26 | 0.3° | 0.0° |
| C36 | C23 | N22 | N24 | 179.7° | 179.8° |
| C36 | C23 | N22 | C21 | 167.6° | 179.5° |
| C36 | C23 | N24 | C25 | 0.1° | 0.1° |
| C18 | C17 | C21 | N22 | 49.3° | 59.2° |
| C18 | C17 | C21 | C16 | 119.5° | 119.9° |
| C18 | C17 | C21 | O37 | 123.0° | 120.0° |
| C18 | C17 | C16 | N15 | 62.5° | 55.1° |
| C18 | C17 | C16 | O37 | 120.7° | 120.0° |
| C18 | C17 | C21 | H4 | 71.4° | 60.9° |
| C18 | C17 | C21 | H5 | 170.1° | 179.2° |
| C18 | C17 | C16 | H21 | 57.1° | 64.9° |
| C18 | C17 | C16 | H22 | 178.0° | 175.1° |
| C17 | C18 | H23 | H24 | 119.3° | 120.1° |
| C17 | C18 | C19 | H25 | 57.5° | 177.6° |
| C17 | C18 | C19 | H26 | 177.1° | 62.3° |
| C18 | C17 | O37 | H43 | 180.0° | 60.1° |
| C27 | N26 | C25 | N24 | 0.0° | 0.0° |
| C27 | N26 | C25 | H27 | 180.0° | 180.0° |
| N26 | C27 | C36 | H35 | 179.7° | 180.0° |
| N26 | C27 | N28 | H42 | 62.6° | 0.0° |
| C23 | N22 | C21 | C17 | 122.5° | 174.2° |
| N22 | C23 | N24 | C25 | 179.8° | 179.7° |
| C23 | N22 | C20 | H2 | 115.7° | 54.2° |
| C23 | N22 | C20 | H3 | 4.9° | 65.9° |
| C23 | N22 | C21 | H4 | 116.7° | 65.7° |
| C23 | N22 | C21 | H5 | 1.8° | 54.2° |
| N22 | C23 | C36 | H35 | 0.1° | 0.2° |
| C21 | N22 | C23 | N24 | 12.1° | 0.3° |
| N22 | C21 | C17 | H4 | 120.7° | 120.1° |
| N22 | C21 | C17 | H5 | 120.7° | 120.0° |
| N22 | C21 | C17 | C16 | 168.9° | 60.7° |
| N22 | C21 | C17 | O37 | 73.6° | 179.2° |
| C21 | N22 | C20 | H2 | 75.5° | 178.3° |
| C21 | N22 | C20 | H3 | 163.9° | 58.3° |
| N22 | C21 | H4 | H5 | 117.7° | 119.9° |
| O38 | C14 | N15 | C16 | 1.8° | 0.1° |
| O38 | C14 | N15 | H41 | 178.2° | 180.0° |
| C14 | N15 | C16 | H41 | 180.0° | 179.9° |
| C14 | N15 | C16 | C17 | 104.5° | 180.0° |
| C14 | N15 | C16 | H21 | 15.1° | 60.0° |
| C14 | N15 | C16 | H22 | 135.9° | 60.1° |
| C23 | N24 | C25 | N26 | 0.0° | 0.0° |
| C23 | N24 | C25 | H27 | 180.0° | 180.0° |
| N24 | C23 | C36 | H35 | 179.7° | 180.0° |
| C21 | C17 | C16 | N15 | 55.0° | 174.9° |
| C21 | C17 | C16 | O37 | 121.9° | 120.1° |
| C17 | C21 | H4 | H5 | 117.7° | 120.0° |
| C21 | C17 | C16 | H21 | 174.6° | 54.9° |
| C21 | C17 | C16 | H22 | 64.6° | 65.1° |
| C21 | C17 | C18 | H23 | 179.4° | 177.6° |
| C21 | C17 | C18 | H24 | 61.0° | 62.3° |
| C21 | C17 | O37 | H43 | 59.5° | 179.9° |
| N15 | C16 | C17 | H21 | 119.6° | 120.0° |
| N15 | C16 | C17 | H22 | 119.6° | 120.0° |
| N15 | C16 | C17 | O37 | 176.8° | 64.9° |
| N15 | C16 | H21 | H22 | 121.2° | 120.0° |
| C16 | C17 | C21 | H4 | 48.2° | 179.2° |
| C16 | C17 | C21 | H5 | 70.4° | 59.3° |
| C17 | C16 | H21 | H22 | 121.2° | 119.9° |
| C16 | C17 | C18 | H23 | 61.9° | 57.6° |
| C16 | C17 | C18 | H24 | 57.7° | 177.7° |
| C17 | C16 | N15 | H41 | 75.5° | 0.1° |
| C16 | C17 | O37 | H43 | 59.9° | 59.9° |
| O37 | C17 | C21 | H4 | 165.7° | 59.1° |
| O37 | C17 | C21 | H5 | 47.1° | 60.8° |
| O37 | C17 | C16 | H21 | 63.6° | 175.0° |
| O37 | C17 | C16 | H22 | 57.2° | 55.1° |
| O37 | C17 | C18 | H23 | 55.5° | 62.4° |
| O37 | C17 | C18 | H24 | 175.1° | 57.7° |
| N26 | C25 | N24 | H27 | 180.0° | 180.0° |
| H1 | C10 | C09 | H18 | 0.5° | 0.3° |
| H2 | C20 | C19 | H25 | 170.7° | 60.8° |
| H2 | C20 | C19 | H26 | 51.1° | 59.2° |
| H3 | C20 | C19 | H25 | 50.1° | 59.2° |
| H3 | C20 | C19 | H26 | 69.4° | 179.2° |
| H6 | C01 | H7 | H8 | 120.0° | 120.0° |
| H9 | C03 | H10 | H11 | 120.0° | 119.9° |
| H12 | C04 | C05 | H14 | 60.0° | 59.1° |
| H12 | C04 | C05 | H15 | 178.8° | 60.8° |
| H13 | C04 | C05 | H14 | 59.5° | 179.2° |
| H13 | C04 | C05 | H15 | 59.3° | 59.3° |
| H19 | C11 | C12 | H20 | 1.0° | 0.5° |
| H21 | C16 | N15 | H41 | 164.9° | 119.9° |
| H22 | C16 | N15 | H41 | 44.1° | 120.0° |
| H23 | C18 | C19 | H25 | 62.7° | 62.5° |
| H23 | C18 | C19 | H26 | 56.8° | 57.6° |
| H24 | C18 | C19 | H25 | 177.8° | 57.6° |
| H24 | C18 | C19 | H26 | 62.7° | 177.8° |
| H28 | C29 | N28 | H42 | 91.7° | 120.0° |
| H29 | C29 | N28 | H42 | 26.0° | 120.0° |
| H30 | C31 | C32 | H31 | 0.0° | 0.0° |
| H31 | C32 | C33 | H32 | 0.2° | 0.1° |
| H32 | C33 | C34 | H33 | 0.3° | 0.3° |
| H33 | C34 | C35 | H34 | 0.3° | 0.5° |
| H36 | C39 | C40 | H38 | 80.8° | 59.3° |
| H36 | C39 | C40 | H39 | 37.8° | 60.8° |
| H37 | C39 | C40 | H38 | 38.3° | 179.2° |
| H37 | C39 | C40 | H39 | 157.0° | 59.2° |
