QH4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C27 | doub | 1.39Å | 1.42Å | Aromatic |
| C28 | C29 | sing | 1.36Å | 1.41Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C29 | C30 | doub | 1.40Å | 1.42Å | Aromatic |
| C8 | N9 | sing | 1.47Å | 1.49Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C26 | N9 | sing | 1.39Å | 1.47Å | |
| C26 | C31 | doub | 1.41Å | 1.41Å | Aromatic |
| N9 | C10 | sing | 1.47Å | 1.46Å | |
| C7 | C1 | sing | 1.50Å | 1.54Å | |
| C30 | C31 | sing | 1.42Å | 1.42Å | Aromatic |
| C30 | C32 | sing | 1.41Å | 1.41Å | Aromatic |
| C10 | C2 | sing | 1.50Å | 1.52Å | |
| C31 | C35 | sing | 1.40Å | 1.39Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.40Å | 1.41Å | Aromatic |
| C2 | N3 | sing | 1.33Å | 1.32Å | Aromatic |
| N12 | C6 | sing | 1.39Å | 1.45Å | |
| N12 | C13 | sing | 1.47Å | 1.52Å | |
| N12 | C17 | sing | 1.47Å | 1.46Å | |
| C6 | N5 | doub | 1.33Å | 1.36Å | Aromatic |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| N3 | C4 | doub | 1.32Å | 1.35Å | Aromatic |
| C32 | C33 | doub | 1.36Å | 1.42Å | Aromatic |
| C14 | N15 | sing | 1.47Å | 1.53Å | |
| C25 | N21 | sing | 1.47Å | 1.54Å | |
| C17 | C16 | sing | 1.53Å | 1.55Å | |
| N5 | C4 | sing | 1.32Å | 1.35Å | Aromatic |
| C4 | O11 | sing | 1.35Å | 1.37Å | |
| N21 | C22 | sing | 1.48Å | 1.54Å | |
| N21 | C20 | sing | 1.49Å | 1.54Å | |
| C35 | C34 | doub | 1.36Å | 1.41Å | Aromatic |
| O11 | C19 | sing | 1.43Å | 1.38Å | |
| C19 | C20 | sing | 1.53Å | 1.55Å | |
| N15 | C16 | sing | 1.47Å | 1.51Å | |
| N15 | C36 | sing | 1.35Å | 1.38Å | |
| C22 | C23 | sing | 1.54Å | 1.55Å | |
| C33 | C34 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C18 | sing | 1.53Å | 1.54Å | |
| C38 | C36 | sing | 1.51Å | 1.57Å | |
| C38 | C39 | sing | 1.53Å | 1.57Å | |
| C20 | C24 | sing | 1.55Å | 1.53Å | |
| C36 | O37 | doub | 1.21Å | 1.26Å | |
| C23 | C24 | sing | 1.55Å | 1.52Å | |
| C18 | C40 | sing | 1.47Å | 1.52Å | |
| C40 | N41 | trip | 1.14Å | 1.16Å | |
| C18 | H1 | sing | 1.09Å | 1.10Å | |
| C18 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H16 | sing | 1.09Å | 1.10Å | |
| C7 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.08Å | 1.08Å | |
| C28 | H30 | sing | 1.08Å | 1.08Å | |
| C29 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C38 | H36 | sing | 1.09Å | 1.10Å | |
| C38 | H37 | sing | 1.09Å | 1.10Å | |
| C39 | H38 | sing | 1.09Å | 1.10Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C39 | H40 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C28 | C29 | 122.2° | 121.1° |
| C28 | C27 | C26 | 119.6° | 120.8° |
| C28 | C27 | H29 | 120.2° | 119.6° |
| C27 | C28 | H30 | 118.9° | 119.4° |
| C28 | C29 | C30 | 117.9° | 119.9° |
| C29 | C28 | H30 | 118.9° | 119.5° |
| C28 | C29 | H31 | 121.0° | 120.0° |
| C27 | C26 | N9 | 122.4° | 120.3° |
| C27 | C26 | C31 | 119.0° | 119.4° |
| C26 | C27 | H29 | 120.2° | 119.7° |
| C29 | C30 | C31 | 120.0° | 119.5° |
| C29 | C30 | C32 | 120.5° | 121.2° |
| C30 | C29 | H31 | 121.1° | 120.1° |
| N9 | C8 | C7 | 101.6° | 108.6° |
| C8 | N9 | C26 | 115.6° | 111.0° |
| C8 | N9 | C10 | 113.5° | 110.3° |
| N9 | C8 | H12 | 111.4° | 109.7° |
| N9 | C8 | H13 | 111.4° | 109.7° |
| C8 | C7 | C1 | 106.3° | 109.8° |
| C7 | C8 | H12 | 111.4° | 109.6° |
| C7 | C8 | H13 | 111.4° | 109.6° |
| C8 | C7 | H16 | 110.3° | 109.4° |
| C8 | C7 | H17 | 110.3° | 109.4° |
| N9 | C26 | C31 | 118.7° | 120.3° |
| C26 | N9 | C10 | 110.5° | 111.0° |
| C26 | C31 | C30 | 121.4° | 119.3° |
| C26 | C31 | C35 | 118.7° | 121.2° |
| N9 | C10 | C2 | 110.2° | 110.4° |
| N9 | C10 | H10 | 109.3° | 109.3° |
| N9 | C10 | H11 | 109.3° | 109.2° |
| C7 | C1 | C2 | 121.5° | 121.9° |
| C7 | C1 | C6 | 120.7° | 119.4° |
| C1 | C7 | H16 | 110.2° | 109.4° |
| C1 | C7 | H17 | 110.2° | 109.4° |
| C31 | C30 | C32 | 119.5° | 119.3° |
| C30 | C31 | C35 | 119.9° | 119.5° |
| C30 | C32 | C33 | 120.7° | 119.7° |
| C30 | C32 | H32 | 119.7° | 120.2° |
| C10 | C2 | C1 | 120.5° | 121.9° |
| C10 | C2 | N3 | 119.2° | 119.1° |
| C2 | C10 | H10 | 109.3° | 109.3° |
| C2 | C10 | H11 | 109.3° | 109.3° |
| C31 | C35 | C34 | 119.8° | 119.6° |
| C31 | C35 | H35 | 120.1° | 120.2° |
| C2 | C1 | C6 | 117.7° | 118.7° |
| C1 | C2 | N3 | 120.3° | 119.0° |
| C1 | C6 | N12 | 120.2° | 120.5° |
| C1 | C6 | N5 | 121.9° | 119.0° |
| C2 | N3 | C4 | 119.2° | 121.1° |
| C6 | N12 | C13 | 109.9° | 111.0° |
| C6 | N12 | C17 | 117.2° | 111.0° |
| N12 | C6 | N5 | 117.9° | 120.5° |
| C13 | N12 | C17 | 120.0° | 111.3° |
| N12 | C13 | C14 | 110.5° | 109.3° |
| N12 | C13 | H5 | 109.2° | 109.5° |
| N12 | C13 | H6 | 109.2° | 109.5° |
| N12 | C17 | C16 | 110.9° | 109.3° |
| N12 | C17 | H7 | 109.1° | 109.5° |
| N12 | C17 | H8 | 109.1° | 109.5° |
| C6 | N5 | C4 | 115.8° | 120.5° |
| C13 | C14 | N15 | 108.9° | 108.5° |
| C13 | C14 | H3 | 109.6° | 109.6° |
| C13 | C14 | H4 | 109.6° | 109.8° |
| C14 | C13 | H5 | 109.2° | 109.5° |
| C14 | C13 | H6 | 109.2° | 109.5° |
| N3 | C4 | N5 | 125.0° | 121.7° |
| N3 | C4 | O11 | 115.8° | 119.2° |
| C32 | C33 | C34 | 118.6° | 120.9° |
| C33 | C32 | H32 | 119.6° | 120.1° |
| C32 | C33 | H33 | 120.7° | 119.5° |
| C14 | N15 | C16 | 117.4° | 118.2° |
| C14 | N15 | C36 | 122.8° | 120.9° |
| N15 | C14 | H3 | 109.6° | 109.6° |
| N15 | C14 | H4 | 109.6° | 109.6° |
| C25 | N21 | C22 | 109.7° | 111.0° |
| C25 | N21 | C20 | 109.9° | 111.0° |
| N21 | C25 | H26 | 109.5° | 109.5° |
| N21 | C25 | H27 | 109.4° | 109.5° |
| N21 | C25 | H28 | 109.5° | 109.5° |
| C17 | C16 | N15 | 113.5° | 108.5° |
| C17 | C16 | C18 | 105.7° | 109.7° |
| C16 | C17 | H7 | 109.1° | 109.5° |
| C16 | C17 | H8 | 109.1° | 109.5° |
| C17 | C16 | H9 | 109.4° | 109.6° |
| N5 | C4 | O11 | 119.2° | 119.1° |
| C4 | O11 | C19 | 120.9° | 117.0° |
| C22 | N21 | C20 | 103.0° | 105.8° |
| N21 | C22 | C23 | 102.3° | 107.1° |
| N21 | C22 | H14 | 111.2° | 109.9° |
| N21 | C22 | H15 | 111.2° | 110.1° |
| N21 | C20 | C19 | 105.3° | 110.7° |
| N21 | C20 | C24 | 105.1° | 103.2° |
| N21 | C20 | H20 | 111.3° | 110.8° |
| C35 | C34 | C33 | 121.5° | 121.0° |
| C35 | C34 | H34 | 119.2° | 119.5° |
| C34 | C35 | H35 | 120.1° | 120.2° |
| O11 | C19 | C20 | 110.0° | 109.5° |
| O11 | C19 | H18 | 109.3° | 109.4° |
| O11 | C19 | H19 | 109.3° | 109.4° |
| C19 | C20 | C24 | 112.1° | 110.6° |
| C20 | C19 | H18 | 109.3° | 109.5° |
| C20 | C19 | H19 | 109.3° | 109.5° |
| C19 | C20 | H20 | 111.3° | 110.6° |
| C16 | N15 | C36 | 119.7° | 120.9° |
| N15 | C16 | C18 | 108.7° | 109.6° |
| N15 | C16 | H9 | 109.9° | 109.8° |
| N15 | C36 | C38 | 116.7° | 120.0° |
| N15 | C36 | O37 | 120.2° | 120.0° |
| C22 | C23 | C24 | 105.2° | 105.1° |
| C23 | C22 | H14 | 111.2° | 109.9° |
| C23 | C22 | H15 | 111.2° | 109.9° |
| C22 | C23 | H22 | 110.5° | 110.3° |
| C22 | C23 | H23 | 110.5° | 110.3° |
| C34 | C33 | H33 | 120.7° | 119.5° |
| C33 | C34 | H34 | 119.2° | 119.5° |
| C16 | C18 | C40 | 109.3° | 109.5° |
| C16 | C18 | H1 | 109.5° | 109.5° |
| C16 | C18 | H2 | 109.5° | 109.5° |
| C18 | C16 | H9 | 109.6° | 109.6° |
| C36 | C38 | C39 | 114.0° | 109.5° |
| C38 | C36 | O37 | 122.7° | 120.0° |
| C36 | C38 | H36 | 108.3° | 109.5° |
| C36 | C38 | H37 | 108.3° | 109.5° |
| C39 | C38 | H36 | 108.3° | 109.5° |
| C39 | C38 | H37 | 108.3° | 109.4° |
| C38 | C39 | H38 | 109.5° | 109.5° |
| C38 | C39 | H39 | 109.5° | 109.5° |
| C38 | C39 | H40 | 109.5° | 109.5° |
| C20 | C24 | C23 | 107.3° | 102.9° |
| C24 | C20 | H20 | 111.5° | 110.7° |
| C20 | C24 | H24 | 110.0° | 110.8° |
| C20 | C24 | H25 | 110.0° | 110.7° |
| C24 | C23 | H22 | 110.5° | 110.3° |
| C24 | C23 | H23 | 110.5° | 110.2° |
| C23 | C24 | H24 | 110.0° | 110.7° |
| C23 | C24 | H25 | 110.0° | 110.7° |
| C18 | C40 | N41 | 173.3° | 180.0° |
| C40 | C18 | H1 | 109.5° | 109.5° |
| C40 | C18 | H2 | 109.5° | 109.5° |
| H1 | C18 | H2 | 109.5° | 109.4° |
| H3 | C14 | H4 | 109.5° | 109.7° |
| H5 | C13 | H6 | 109.5° | 109.5° |
| H7 | C17 | H8 | 109.5° | 109.5° |
| H10 | C10 | H11 | 109.5° | 109.3° |
| H12 | C8 | H13 | 109.5° | 109.7° |
| H14 | C22 | H15 | 109.5° | 109.9° |
| H16 | C7 | H17 | 109.5° | 109.4° |
| H18 | C19 | H19 | 109.5° | 109.5° |
| H22 | C23 | H23 | 109.5° | 110.4° |
| H24 | C24 | H25 | 109.5° | 110.8° |
| H26 | C25 | H27 | 109.4° | 109.5° |
| H26 | C25 | H28 | 109.5° | 109.5° |
| H27 | C25 | H28 | 109.5° | 109.5° |
| H36 | C38 | H37 | 109.5° | 109.5° |
| H38 | C39 | H39 | 109.5° | 109.5° |
| H38 | C39 | H40 | 109.5° | 109.5° |
| H39 | C39 | H40 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C28 | C29 | H30 | 180.0° | 180.0° |
| C28 | C27 | C26 | H29 | 180.0° | 179.9° |
| C27 | C28 | C29 | C30 | 0.1° | 0.0° |
| C28 | C27 | C26 | N9 | 179.8° | 180.0° |
| C28 | C27 | C26 | C31 | 0.1° | 0.3° |
| C27 | C28 | C29 | H31 | 179.9° | 179.9° |
| C29 | C28 | C27 | C26 | 0.1° | 0.0° |
| C28 | C29 | C30 | H31 | 180.0° | 179.9° |
| C28 | C29 | C30 | C31 | 0.5° | 0.3° |
| C28 | C29 | C30 | C32 | 179.8° | 180.0° |
| C29 | C28 | C27 | H29 | 179.9° | 180.0° |
| C27 | C26 | N9 | C8 | 33.2° | 59.7° |
| C27 | C26 | N9 | C31 | 179.7° | 179.7° |
| C27 | C26 | N9 | C10 | 97.4° | 63.4° |
| C27 | C26 | C31 | C30 | 0.5° | 0.6° |
| C27 | C26 | C31 | C35 | 179.9° | 179.7° |
| C26 | C27 | C28 | H30 | 179.9° | 180.0° |
| C29 | C30 | C31 | C26 | 0.8° | 0.5° |
| C29 | C30 | C31 | C32 | 179.3° | 179.7° |
| C29 | C30 | C31 | C35 | 179.7° | 179.7° |
| C29 | C30 | C32 | C33 | 179.4° | 180.0° |
| C30 | C29 | C28 | H30 | 179.9° | 180.0° |
| C29 | C30 | C32 | H32 | 0.5° | 0.1° |
| N9 | C8 | C7 | H12 | 118.7° | 119.8° |
| N9 | C8 | C7 | H13 | 118.7° | 119.8° |
| C8 | N9 | C26 | C10 | 130.7° | 123.1° |
| C8 | N9 | C26 | C31 | 147.0° | 120.0° |
| N9 | C8 | C7 | C1 | 63.2° | 50.1° |
| C8 | N9 | C10 | C2 | 45.2° | 52.4° |
| C8 | N9 | C10 | H10 | 74.9° | 172.6° |
| C8 | N9 | C10 | H11 | 165.4° | 67.8° |
| N9 | C8 | H12 | H13 | 123.7° | 120.5° |
| N9 | C8 | C7 | H16 | 56.3° | 70.0° |
| N9 | C8 | C7 | H17 | 177.3° | 170.2° |
| C7 | C8 | N9 | C26 | 153.5° | 165.4° |
| C7 | C8 | N9 | C10 | 77.2° | 71.1° |
| C8 | C7 | C1 | H16 | 119.5° | 120.1° |
| C8 | C7 | C1 | H17 | 119.5° | 120.1° |
| C8 | C7 | C1 | C2 | 29.3° | 16.6° |
| C8 | C7 | C1 | C6 | 148.1° | 163.4° |
| C7 | C8 | H12 | H13 | 123.7° | 120.4° |
| C8 | C7 | H16 | H17 | 121.5° | 119.8° |
| N9 | C26 | C31 | C30 | 179.7° | 179.8° |
| C26 | N9 | C10 | C2 | 177.0° | 175.9° |
| N9 | C26 | C31 | C35 | 0.2° | 0.0° |
| C26 | N9 | C10 | H10 | 56.9° | 63.9° |
| C26 | N9 | C10 | H11 | 62.9° | 55.7° |
| C26 | N9 | C8 | H12 | 34.8° | 74.9° |
| C26 | N9 | C8 | H13 | 87.8° | 45.7° |
| N9 | C26 | C27 | H29 | 0.1° | 0.1° |
| C31 | C26 | N9 | C10 | 82.3° | 116.9° |
| C26 | C31 | C30 | C35 | 179.6° | 179.8° |
| C26 | C31 | C30 | C32 | 179.9° | 179.8° |
| C26 | C31 | C35 | C34 | 179.5° | 179.2° |
| C31 | C26 | C27 | H29 | 179.9° | 179.8° |
| C26 | C31 | C35 | H35 | 0.5° | 0.0° |
| N9 | C10 | C2 | H10 | 120.1° | 120.3° |
| N9 | C10 | C2 | H11 | 120.1° | 120.2° |
| N9 | C10 | C2 | C1 | 4.1° | 17.4° |
| N9 | C10 | C2 | N3 | 176.0° | 162.6° |
| N9 | C10 | H10 | H11 | 119.6° | 119.5° |
| C10 | N9 | C8 | H12 | 164.0° | 48.7° |
| C10 | N9 | C8 | H13 | 41.5° | 169.2° |
| C7 | C1 | C2 | C10 | 2.1° | 0.3° |
| C7 | C1 | C2 | C6 | 177.5° | 179.9° |
| C7 | C1 | C2 | N3 | 177.8° | 179.7° |
| C7 | C1 | C6 | N12 | 0.4° | 0.2° |
| C7 | C1 | C6 | N5 | 178.1° | 179.8° |
| C1 | C7 | C8 | H12 | 178.0° | 69.7° |
| C1 | C7 | C8 | H13 | 55.5° | 169.9° |
| C1 | C7 | H16 | H17 | 121.4° | 119.8° |
| C31 | C30 | C32 | C33 | 0.1° | 0.3° |
| C30 | C31 | C35 | C34 | 0.1° | 0.5° |
| C31 | C30 | C29 | H31 | 179.4° | 179.8° |
| C31 | C30 | C32 | H32 | 179.9° | 179.8° |
| C30 | C31 | C35 | H35 | 179.9° | 179.8° |
| C32 | C30 | C31 | C35 | 0.4° | 0.0° |
| C30 | C32 | C33 | H32 | 180.0° | 179.9° |
| C30 | C32 | C33 | C34 | 0.6° | 0.0° |
| C32 | C30 | C29 | H31 | 0.1° | 0.1° |
| C30 | C32 | C33 | H33 | 179.4° | 179.9° |
| C10 | C2 | C1 | N3 | 179.9° | 180.0° |
| C10 | C2 | C1 | C6 | 179.6° | 179.8° |
| C10 | C2 | N3 | C4 | 178.8° | 179.8° |
| C2 | C10 | H10 | H11 | 119.7° | 119.6° |
| C31 | C35 | C34 | H35 | 180.0° | 179.2° |
| C31 | C35 | C34 | C33 | 0.8° | 0.8° |
| C31 | C35 | C34 | H34 | 179.2° | 179.7° |
| C2 | C1 | C6 | N12 | 177.9° | 179.9° |
| C2 | C1 | C6 | N5 | 0.6° | 0.1° |
| C1 | C2 | N3 | C4 | 1.1° | 0.2° |
| C1 | C2 | C10 | H10 | 115.9° | 137.7° |
| C1 | C2 | C10 | H11 | 124.2° | 102.8° |
| C2 | C1 | C7 | H16 | 90.2° | 103.4° |
| C2 | C1 | C7 | H17 | 148.8° | 136.8° |
| C6 | C1 | C2 | N3 | 0.3° | 0.2° |
| C1 | C6 | N12 | N5 | 178.5° | 179.9° |
| C1 | C6 | N12 | C13 | 169.2° | 124.9° |
| C1 | C6 | N12 | C17 | 49.3° | 110.8° |
| C1 | C6 | N5 | C4 | 1.5° | 0.1° |
| C6 | C1 | C7 | H16 | 92.3° | 76.5° |
| C6 | C1 | C7 | H17 | 28.6° | 43.3° |
| C2 | N3 | C4 | N5 | 2.3° | 0.0° |
| C2 | N3 | C4 | O11 | 178.5° | 180.0° |
| N3 | C2 | C10 | H10 | 64.0° | 42.3° |
| N3 | C2 | C10 | H11 | 55.9° | 77.2° |
| C6 | N12 | C13 | C17 | 140.2° | 124.1° |
| C6 | N12 | C13 | C14 | 167.4° | 172.7° |
| C6 | N12 | C17 | C16 | 110.6° | 172.7° |
| N12 | C6 | N5 | C4 | 177.0° | 180.0° |
| C6 | N12 | C13 | H5 | 72.5° | 67.3° |
| C6 | N12 | C13 | H6 | 47.2° | 52.8° |
| C6 | N12 | C17 | H7 | 9.7° | 52.8° |
| C6 | N12 | C17 | H8 | 129.2° | 67.3° |
| C13 | N12 | C6 | N5 | 9.3° | 55.1° |
| N12 | C13 | C14 | H5 | 120.2° | 120.0° |
| N12 | C13 | C14 | H6 | 120.2° | 120.0° |
| N12 | C13 | C14 | N15 | 58.1° | 53.9° |
| C13 | N12 | C17 | C16 | 26.9° | 63.1° |
| N12 | C13 | C14 | H3 | 61.8° | 65.8° |
| N12 | C13 | C14 | H4 | 178.0° | 173.6° |
| N12 | C13 | H5 | H6 | 119.6° | 120.1° |
| C13 | N12 | C17 | H7 | 147.1° | 176.9° |
| C13 | N12 | C17 | H8 | 93.4° | 56.8° |
| C17 | N12 | C6 | N5 | 132.1° | 69.2° |
| C17 | N12 | C13 | C14 | 27.2° | 63.1° |
| N12 | C17 | C16 | H7 | 120.2° | 120.0° |
| N12 | C17 | C16 | H8 | 120.2° | 120.0° |
| N12 | C17 | C16 | N15 | 49.9° | 53.8° |
| N12 | C17 | C16 | C18 | 69.1° | 173.5° |
| C17 | N12 | C13 | H5 | 147.3° | 56.8° |
| C17 | N12 | C13 | H6 | 93.0° | 176.9° |
| N12 | C17 | H7 | H8 | 119.3° | 120.1° |
| N12 | C17 | C16 | H9 | 173.0° | 66.0° |
| C6 | N5 | C4 | N3 | 2.5° | 0.1° |
| C6 | N5 | C4 | O11 | 178.3° | 179.9° |
| C13 | C14 | N15 | H3 | 119.9° | 119.7° |
| C13 | C14 | N15 | H4 | 119.9° | 119.9° |
| C13 | C14 | N15 | C16 | 35.7° | 51.2° |
| C13 | C14 | N15 | C36 | 148.3° | 128.9° |
| C13 | C14 | H3 | H4 | 120.3° | 120.6° |
| C14 | C13 | H5 | H6 | 119.5° | 120.0° |
| N3 | C4 | N5 | O11 | 179.2° | 180.0° |
| N3 | C4 | O11 | C19 | 174.0° | 0.0° |
| C32 | C33 | C34 | C35 | 1.0° | 0.5° |
| C32 | C33 | C34 | H33 | 180.0° | 180.0° |
| C32 | C33 | C34 | H34 | 179.0° | 180.0° |
| C14 | N15 | C16 | C17 | 18.1° | 51.2° |
| C14 | N15 | C16 | C36 | 176.2° | 179.9° |
| C14 | N15 | C16 | C18 | 99.2° | 170.9° |
| C14 | N15 | C36 | C38 | 8.5° | 4.9° |
| C14 | N15 | C36 | O37 | 164.4° | 175.1° |
| N15 | C14 | H3 | H4 | 120.2° | 120.3° |
| N15 | C14 | C13 | H5 | 178.2° | 66.1° |
| N15 | C14 | C13 | H6 | 62.1° | 173.8° |
| C14 | N15 | C16 | H9 | 141.0° | 68.6° |
| C25 | N21 | C22 | C20 | 116.9° | 120.6° |
| C25 | N21 | C20 | C19 | 91.5° | 81.8° |
| C25 | N21 | C22 | C23 | 158.3° | 145.8° |
| C25 | N21 | C20 | C24 | 150.0° | 159.8° |
| C25 | N21 | C22 | H14 | 39.4° | 26.5° |
| C25 | N21 | C22 | H15 | 82.9° | 94.7° |
| C25 | N21 | C20 | H20 | 29.2° | 41.2° |
| N21 | C25 | H26 | H27 | 120.0° | 120.0° |
| N21 | C25 | H26 | H28 | 120.0° | 120.0° |
| N21 | C25 | H27 | H28 | 120.0° | 120.0° |
| C17 | C16 | N15 | C18 | 117.3° | 119.7° |
| C17 | C16 | N15 | H9 | 122.8° | 119.8° |
| C17 | C16 | N15 | C36 | 158.1° | 128.9° |
| C17 | C16 | C18 | H9 | 117.8° | 120.4° |
| C17 | C16 | C18 | C40 | 74.8° | 162.6° |
| C17 | C16 | C18 | H1 | 165.2° | 77.4° |
| C17 | C16 | C18 | H2 | 45.2° | 42.6° |
| C16 | C17 | H7 | H8 | 119.4° | 120.1° |
| N5 | C4 | O11 | C19 | 6.7° | 180.0° |
| C4 | O11 | C19 | C20 | 168.3° | 180.0° |
| C4 | O11 | C19 | H18 | 48.2° | 60.0° |
| C4 | O11 | C19 | H19 | 71.6° | 60.0° |
| C22 | N21 | C20 | C19 | 151.7° | 157.6° |
| N21 | C22 | C23 | H14 | 118.9° | 119.3° |
| N21 | C22 | C23 | H15 | 118.8° | 119.6° |
| C22 | N21 | C20 | C24 | 33.2° | 39.2° |
| N21 | C22 | C23 | C24 | 34.3° | 1.2° |
| N21 | C22 | H14 | H15 | 123.3° | 121.3° |
| C22 | N21 | C20 | H20 | 87.7° | 79.3° |
| N21 | C22 | C23 | H22 | 153.7° | 120.1° |
| N21 | C22 | C23 | H23 | 85.0° | 117.7° |
| C22 | N21 | C25 | H26 | 180.0° | 60.2° |
| C22 | N21 | C25 | H27 | 60.0° | 179.9° |
| C22 | N21 | C25 | H28 | 60.0° | 59.8° |
| N21 | C20 | C19 | O11 | 83.5° | 71.2° |
| N21 | C20 | C19 | C24 | 113.8° | 113.8° |
| N21 | C20 | C19 | H20 | 120.7° | 123.1° |
| C20 | N21 | C22 | C23 | 41.3° | 25.3° |
| N21 | C20 | C24 | H20 | 120.7° | 118.6° |
| N21 | C20 | C24 | C23 | 11.8° | 37.5° |
| C20 | N21 | C22 | H14 | 77.5° | 94.0° |
| C20 | N21 | C22 | H15 | 160.2° | 144.8° |
| N21 | C20 | C19 | H18 | 156.4° | 168.8° |
| N21 | C20 | C19 | H19 | 36.6° | 48.8° |
| N21 | C20 | C24 | H24 | 107.8° | 80.9° |
| N21 | C20 | C24 | H25 | 131.5° | 155.8° |
| C20 | N21 | C25 | H26 | 67.5° | 57.3° |
| C20 | N21 | C25 | H27 | 172.6° | 62.7° |
| C20 | N21 | C25 | H28 | 52.5° | 177.3° |
| C35 | C34 | C33 | H34 | 180.0° | 179.5° |
| C35 | C34 | C33 | H33 | 179.0° | 179.5° |
| O11 | C19 | C20 | H18 | 120.1° | 120.0° |
| O11 | C19 | C20 | H19 | 120.1° | 120.0° |
| O11 | C19 | C20 | C24 | 30.3° | 175.0° |
| O11 | C19 | H18 | H19 | 119.7° | 120.0° |
| O11 | C19 | C20 | H20 | 155.9° | 52.0° |
| C19 | C20 | C24 | H20 | 125.5° | 123.0° |
| C19 | C20 | C24 | C23 | 125.6° | 155.9° |
| C20 | C19 | H18 | H19 | 119.7° | 120.1° |
| C19 | C20 | C24 | H24 | 6.0° | 37.5° |
| C19 | C20 | C24 | H25 | 114.7° | 85.8° |
| N15 | C16 | C18 | H9 | 120.0° | 120.6° |
| C16 | N15 | C36 | C38 | 167.5° | 175.1° |
| C16 | N15 | C36 | O37 | 19.7° | 4.8° |
| N15 | C16 | C18 | C40 | 163.0° | 78.4° |
| N15 | C16 | C18 | H1 | 43.1° | 41.6° |
| N15 | C16 | C18 | H2 | 77.0° | 161.6° |
| C16 | N15 | C14 | H3 | 84.3° | 68.5° |
| C16 | N15 | C14 | H4 | 155.6° | 171.1° |
| N15 | C16 | C17 | H7 | 170.1° | 173.8° |
| N15 | C16 | C17 | H8 | 70.3° | 66.1° |
| C36 | N15 | C16 | C18 | 84.6° | 9.2° |
| N15 | C36 | C38 | O37 | 172.6° | 179.9° |
| N15 | C36 | C38 | C39 | 128.3° | 180.0° |
| C36 | N15 | C14 | H3 | 91.8° | 111.4° |
| C36 | N15 | C14 | H4 | 28.4° | 9.0° |
| C36 | N15 | C16 | H9 | 35.2° | 111.3° |
| N15 | C36 | C38 | H36 | 111.0° | 60.1° |
| N15 | C36 | C38 | H37 | 7.6° | 60.0° |
| C22 | C23 | C24 | C20 | 14.0° | 22.0° |
| C22 | C23 | C24 | H22 | 119.3° | 118.9° |
| C22 | C23 | C24 | H23 | 119.3° | 118.9° |
| C23 | C22 | H14 | H15 | 123.3° | 121.1° |
| C22 | C23 | H22 | H23 | 121.9° | 122.2° |
| C22 | C23 | C24 | H24 | 133.6° | 96.4° |
| C22 | C23 | C24 | H25 | 105.7° | 140.4° |
| C34 | C33 | C32 | H32 | 179.5° | 179.9° |
| C33 | C34 | C35 | H35 | 179.2° | 180.0° |
| C16 | C18 | C40 | H1 | 120.0° | 120.0° |
| C16 | C18 | C40 | H2 | 120.0° | 120.0° |
| C16 | C18 | C40 | N41 | 138.1° | 160.4° |
| C16 | C18 | H1 | H2 | 120.1° | 120.0° |
| C18 | C16 | C17 | H7 | 51.1° | 66.5° |
| C18 | C16 | C17 | H8 | 170.7° | 53.6° |
| C36 | C38 | C39 | H36 | 120.7° | 120.0° |
| C36 | C38 | C39 | H37 | 120.6° | 120.0° |
| C36 | C38 | H36 | H37 | 117.9° | 120.0° |
| C36 | C38 | C39 | H38 | 180.0° | 180.0° |
| C36 | C38 | C39 | H39 | 60.0° | 60.0° |
| C36 | C38 | C39 | H40 | 60.0° | 60.0° |
| C39 | C38 | C36 | O37 | 44.4° | 0.0° |
| C39 | C38 | H36 | H37 | 118.0° | 120.0° |
| C38 | C39 | H38 | H39 | 120.0° | 120.0° |
| C38 | C39 | H38 | H40 | 120.0° | 120.0° |
| C38 | C39 | H39 | H40 | 120.0° | 120.0° |
| C20 | C24 | C23 | H24 | 119.7° | 118.4° |
| C20 | C24 | C23 | H25 | 119.7° | 118.3° |
| C24 | C20 | C19 | H18 | 89.8° | 55.0° |
| C24 | C20 | C19 | H19 | 150.3° | 65.0° |
| C20 | C24 | C23 | H22 | 133.3° | 96.9° |
| C20 | C24 | C23 | H23 | 105.3° | 140.9° |
| C20 | C24 | H24 | H25 | 121.0° | 123.3° |
| O37 | C36 | C38 | H36 | 76.3° | 120.0° |
| O37 | C36 | C38 | H37 | 165.0° | 119.9° |
| C24 | C23 | C22 | H14 | 84.5° | 118.2° |
| C24 | C23 | C22 | H15 | 153.2° | 120.8° |
| C23 | C24 | C20 | H20 | 108.9° | 81.1° |
| C24 | C23 | H22 | H23 | 122.0° | 122.1° |
| C23 | C24 | H24 | H25 | 121.0° | 123.2° |
| C40 | C18 | H1 | H2 | 120.1° | 120.0° |
| C40 | C18 | C16 | H9 | 43.0° | 42.2° |
| N41 | C40 | C18 | H1 | 101.9° | 79.6° |
| N41 | C40 | C18 | H2 | 18.1° | 40.3° |
| H1 | C18 | C16 | H9 | 76.9° | 162.2° |
| H2 | C18 | C16 | H9 | 163.0° | 77.8° |
| H3 | C14 | C13 | H5 | 58.3° | 174.2° |
| H3 | C14 | C13 | H6 | 178.0° | 54.1° |
| H4 | C14 | C13 | H5 | 61.9° | 53.6° |
| H4 | C14 | C13 | H6 | 57.8° | 66.4° |
| H7 | C17 | C16 | H9 | 66.8° | 53.9° |
| H8 | C17 | C16 | H9 | 52.8° | 174.0° |
| H12 | C8 | C7 | H16 | 62.5° | 170.2° |
| H12 | C8 | C7 | H17 | 58.5° | 50.5° |
| H13 | C8 | C7 | H16 | 175.0° | 49.8° |
| H13 | C8 | C7 | H17 | 64.0° | 70.0° |
| H14 | C22 | C23 | H22 | 34.8° | 0.7° |
| H14 | C22 | C23 | H23 | 156.2° | 123.0° |
| H15 | C22 | C23 | H22 | 87.5° | 120.3° |
| H15 | C22 | C23 | H23 | 33.9° | 1.9° |
| H18 | C19 | C20 | H20 | 35.8° | 68.0° |
| H19 | C19 | C20 | H20 | 84.1° | 171.9° |
| H20 | C20 | C24 | H24 | 131.4° | 160.5° |
| H20 | C20 | C24 | H25 | 10.8° | 37.2° |
| H22 | C23 | C24 | H24 | 107.0° | 144.7° |
| H22 | C23 | C24 | H25 | 13.6° | 21.4° |
| H23 | C23 | C24 | H24 | 14.3° | 22.5° |
| H23 | C23 | C24 | H25 | 135.0° | 100.8° |
| H26 | C25 | H27 | H28 | 120.0° | 120.0° |
| H29 | C27 | C28 | H30 | 0.1° | 0.0° |
| H30 | C28 | C29 | H31 | 0.1° | 0.1° |
| H32 | C32 | C33 | H33 | 0.5° | 0.0° |
| H33 | C33 | C34 | H34 | 1.0° | 0.0° |
| H34 | C34 | C35 | H35 | 0.8° | 0.5° |
| H36 | C38 | C39 | H38 | 59.3° | 60.0° |
| H36 | C38 | C39 | H39 | 179.3° | 180.0° |
| H36 | C38 | C39 | H40 | 60.7° | 60.0° |
| H37 | C38 | C39 | H38 | 59.3° | 60.0° |
| H37 | C38 | C39 | H39 | 60.7° | 60.0° |
| H37 | C38 | C39 | H40 | 179.4° | 180.0° |
| H38 | C39 | H39 | H40 | 120.0° | 120.0° |
