G5U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C32 | C31 | sing | 1.55Å | 1.52Å | |
| C32 | C33 | sing | 1.55Å | 1.51Å | |
| C31 | C30 | sing | 1.54Å | 1.52Å | |
| C30 | N29 | sing | 1.47Å | 1.47Å | |
| N29 | C33 | sing | 1.48Å | 1.46Å | |
| N29 | C28 | sing | 1.47Å | 1.46Å | |
| C28 | C27 | sing | 1.53Å | 1.51Å | |
| C27 | C26 | sing | 1.53Å | 1.51Å | |
| C26 | O25 | sing | 1.43Å | 1.43Å | |
| O25 | C24 | sing | 1.36Å | 1.36Å | |
| O22 | C23 | sing | 1.43Å | 1.43Å | |
| O22 | C21 | sing | 1.36Å | 1.36Å | |
| C24 | C21 | sing | 1.40Å | 1.43Å | Aromatic |
| C24 | C34 | doub | 1.38Å | 1.36Å | Aromatic |
| C21 | C20 | doub | 1.37Å | 1.36Å | Aromatic |
| C34 | C35 | sing | 1.40Å | 1.41Å | Aromatic |
| C20 | C19 | sing | 1.40Å | 1.41Å | Aromatic |
| C35 | C19 | sing | 1.42Å | 1.41Å | Aromatic |
| C35 | N36 | doub | 1.34Å | 1.37Å | Aromatic |
| C19 | C8 | doub | 1.42Å | 1.44Å | Aromatic |
| N36 | C6 | sing | 1.32Å | 1.34Å | Aromatic |
| C1 | C2 | sing | 1.53Å | 1.50Å | |
| C8 | N9 | sing | 1.38Å | 1.35Å | |
| C8 | N7 | sing | 1.33Å | 1.34Å | Aromatic |
| C6 | N7 | doub | 1.33Å | 1.35Å | Aromatic |
| C6 | N5 | sing | 1.39Å | 1.39Å | |
| N9 | C10 | sing | 1.46Å | 1.46Å | |
| O4 | C3 | doub | 1.21Å | 1.22Å | |
| C2 | C3 | sing | 1.51Å | 1.50Å | |
| C3 | N5 | sing | 1.35Å | 1.35Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C10 | C18 | sing | 1.53Å | 1.52Å | |
| C12 | N13 | sing | 1.47Å | 1.47Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| N13 | C17 | sing | 1.47Å | 1.47Å | |
| N13 | C14 | sing | 1.47Å | 1.48Å | |
| C14 | C16 | sing | 1.53Å | 1.51Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C2 | H20 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C28 | H30 | sing | 1.09Å | 1.10Å | |
| C28 | H31 | sing | 1.09Å | 1.10Å | |
| C30 | H32 | sing | 1.09Å | 1.10Å | |
| C30 | H33 | sing | 1.09Å | 1.10Å | |
| C31 | H34 | sing | 1.09Å | 1.10Å | |
| C31 | H35 | sing | 1.09Å | 1.10Å | |
| C32 | H36 | sing | 1.09Å | 1.10Å | |
| C32 | H37 | sing | 1.09Å | 1.10Å | |
| C33 | H38 | sing | 1.09Å | 1.10Å | |
| C33 | H39 | sing | 1.09Å | 1.10Å | |
| C34 | H40 | sing | 1.08Å | 1.08Å | |
| N5 | H43 | sing | 0.97Å | 1.00Å | |
| N9 | H44 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | C32 | C33 | 101.4° | 101.7° |
| C32 | C31 | C30 | 104.5° | 103.0° |
| C32 | C31 | H34 | 110.7° | 110.7° |
| C32 | C31 | H35 | 110.7° | 110.9° |
| C31 | C32 | H36 | 111.5° | 111.0° |
| C31 | C32 | H37 | 111.4° | 111.0° |
| C32 | C33 | N29 | 101.9° | 104.8° |
| C33 | C32 | H36 | 111.4° | 111.0° |
| C33 | C32 | H37 | 111.4° | 111.0° |
| C32 | C33 | H38 | 111.3° | 110.4° |
| C32 | C33 | H39 | 111.3° | 110.4° |
| C31 | C30 | N29 | 105.6° | 107.2° |
| C31 | C30 | H32 | 110.4° | 109.9° |
| C31 | C30 | H33 | 110.4° | 110.0° |
| C30 | C31 | H34 | 110.7° | 110.7° |
| C30 | C31 | H35 | 110.7° | 110.7° |
| C30 | N29 | C33 | 104.6° | 108.6° |
| C30 | N29 | C28 | 115.5° | 111.0° |
| N29 | C30 | H32 | 110.5° | 109.9° |
| N29 | C30 | H33 | 110.4° | 109.9° |
| C33 | N29 | C28 | 116.3° | 111.0° |
| N29 | C33 | H38 | 111.3° | 110.4° |
| N29 | C33 | H39 | 111.3° | 110.4° |
| N29 | C28 | C27 | 113.1° | 109.5° |
| N29 | C28 | H30 | 108.6° | 109.5° |
| N29 | C28 | H31 | 108.6° | 109.5° |
| C28 | C27 | C26 | 113.6° | 109.5° |
| C28 | C27 | H28 | 108.4° | 109.5° |
| C28 | C27 | H29 | 108.4° | 109.5° |
| C27 | C28 | H30 | 108.5° | 109.5° |
| C27 | C28 | H31 | 108.5° | 109.4° |
| C27 | C26 | O25 | 108.3° | 109.5° |
| C27 | C26 | H26 | 109.7° | 109.5° |
| C27 | C26 | H27 | 109.7° | 109.5° |
| C26 | C27 | H28 | 108.4° | 109.5° |
| C26 | C27 | H29 | 108.4° | 109.4° |
| C26 | O25 | C24 | 117.5° | 117.0° |
| O25 | C26 | H26 | 109.8° | 109.4° |
| O25 | C26 | H27 | 109.8° | 109.5° |
| O25 | C24 | C21 | 114.0° | 119.7° |
| O25 | C24 | C34 | 125.6° | 119.7° |
| C23 | O22 | C21 | 116.6° | 117.0° |
| O22 | C23 | H23 | 109.5° | 109.5° |
| O22 | C23 | H24 | 109.5° | 109.5° |
| O22 | C23 | H25 | 109.5° | 109.4° |
| O22 | C21 | C24 | 115.2° | 119.6° |
| O22 | C21 | C20 | 124.6° | 119.6° |
| C21 | C24 | C34 | 120.3° | 120.7° |
| C24 | C21 | C20 | 120.2° | 120.8° |
| C24 | C34 | C35 | 120.3° | 119.5° |
| C24 | C34 | H40 | 119.9° | 120.2° |
| C21 | C20 | C19 | 120.3° | 119.7° |
| C21 | C20 | H22 | 119.9° | 120.1° |
| C34 | C35 | C19 | 119.7° | 119.4° |
| C34 | C35 | N36 | 119.5° | 121.8° |
| C35 | C34 | H40 | 119.9° | 120.3° |
| C20 | C19 | C35 | 119.2° | 119.9° |
| C20 | C19 | C8 | 124.0° | 121.8° |
| C19 | C20 | H22 | 119.8° | 120.2° |
| C19 | C35 | N36 | 120.8° | 118.8° |
| C35 | C19 | C8 | 116.7° | 118.3° |
| C35 | N36 | C6 | 117.5° | 120.4° |
| C19 | C8 | N9 | 115.8° | 120.8° |
| C19 | C8 | N7 | 121.0° | 118.3° |
| N36 | C6 | N7 | 125.7° | 122.7° |
| N36 | C6 | N5 | 114.5° | 118.6° |
| C1 | C2 | C3 | 110.7° | 109.4° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H20 | 109.1° | 109.5° |
| C1 | C2 | H21 | 109.2° | 109.5° |
| N9 | C8 | N7 | 123.1° | 120.8° |
| C8 | N9 | C10 | 131.4° | 120.0° |
| C8 | N9 | H44 | 103.8° | 120.0° |
| C8 | N7 | C6 | 118.2° | 121.5° |
| N7 | C6 | N5 | 119.8° | 118.6° |
| C6 | N5 | C3 | 123.5° | 120.0° |
| C6 | N5 | H43 | 118.2° | 120.1° |
| N9 | C10 | C11 | 112.7° | 109.6° |
| N9 | C10 | C18 | 115.4° | 109.6° |
| N9 | C10 | H4 | 106.1° | 109.5° |
| C10 | N9 | H44 | 103.7° | 120.0° |
| O4 | C3 | C2 | 121.8° | 120.0° |
| O4 | C3 | N5 | 123.7° | 120.0° |
| C2 | C3 | N5 | 114.5° | 120.0° |
| C3 | C2 | H20 | 109.2° | 109.5° |
| C3 | C2 | H21 | 109.2° | 109.4° |
| C3 | N5 | H43 | 118.3° | 120.0° |
| C10 | C11 | C12 | 109.5° | 109.3° |
| C11 | C10 | C18 | 110.8° | 109.1° |
| C11 | C10 | H4 | 105.5° | 109.5° |
| C10 | C11 | H5 | 109.5° | 109.5° |
| C10 | C11 | H6 | 109.5° | 109.6° |
| C11 | C12 | N13 | 111.1° | 109.5° |
| C12 | C11 | H5 | 109.4° | 109.4° |
| C12 | C11 | H6 | 109.5° | 109.5° |
| C11 | C12 | H7 | 109.0° | 109.5° |
| C11 | C12 | H8 | 109.1° | 109.5° |
| C10 | C18 | C17 | 109.3° | 109.3° |
| C18 | C10 | H4 | 105.5° | 109.5° |
| C10 | C18 | H18 | 109.5° | 109.5° |
| C10 | C18 | H19 | 109.5° | 109.5° |
| C12 | N13 | C17 | 109.7° | 111.2° |
| C12 | N13 | C14 | 110.9° | 111.0° |
| N13 | C12 | H7 | 109.1° | 109.4° |
| N13 | C12 | H8 | 109.0° | 109.4° |
| C18 | C17 | N13 | 111.3° | 109.5° |
| C18 | C17 | H16 | 109.0° | 109.5° |
| C18 | C17 | H17 | 109.0° | 109.5° |
| C17 | C18 | H18 | 109.5° | 109.5° |
| C17 | C18 | H19 | 109.5° | 109.5° |
| C17 | N13 | C14 | 114.0° | 111.0° |
| N13 | C17 | H16 | 109.0° | 109.5° |
| N13 | C17 | H17 | 109.0° | 109.5° |
| N13 | C14 | C16 | 114.0° | 109.5° |
| N13 | C14 | C15 | 113.7° | 109.5° |
| N13 | C14 | H9 | 105.5° | 109.5° |
| C16 | C14 | C15 | 112.2° | 109.5° |
| C16 | C14 | H9 | 105.3° | 109.4° |
| C14 | C16 | H13 | 109.5° | 109.5° |
| C14 | C16 | H14 | 109.5° | 109.5° |
| C14 | C16 | H15 | 109.5° | 109.5° |
| C15 | C14 | H9 | 105.1° | 109.4° |
| C14 | C15 | H10 | 109.5° | 109.5° |
| C14 | C15 | H11 | 109.5° | 109.5° |
| C14 | C15 | H12 | 109.5° | 109.4° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H5 | C11 | H6 | 109.5° | 109.6° |
| H7 | C12 | H8 | 109.5° | 109.5° |
| H10 | C15 | H11 | 109.5° | 109.5° |
| H10 | C15 | H12 | 109.5° | 109.5° |
| H11 | C15 | H12 | 109.4° | 109.5° |
| H13 | C16 | H14 | 109.5° | 109.5° |
| H13 | C16 | H15 | 109.5° | 109.4° |
| H14 | C16 | H15 | 109.4° | 109.4° |
| H16 | C17 | H17 | 109.5° | 109.4° |
| H18 | C18 | H19 | 109.5° | 109.5° |
| H20 | C2 | H21 | 109.5° | 109.5° |
| H23 | C23 | H24 | 109.4° | 109.5° |
| H23 | C23 | H25 | 109.4° | 109.4° |
| H24 | C23 | H25 | 109.5° | 109.5° |
| H26 | C26 | H27 | 109.5° | 109.5° |
| H28 | C27 | H29 | 109.5° | 109.5° |
| H30 | C28 | H31 | 109.5° | 109.5° |
| H32 | C30 | H33 | 109.5° | 110.0° |
| H34 | C31 | H35 | 109.5° | 110.7° |
| H36 | C32 | H37 | 109.5° | 110.9° |
| H38 | C33 | H39 | 109.5° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | C32 | C33 | H36 | 118.7° | 118.1° |
| C31 | C32 | C33 | H37 | 118.7° | 118.1° |
| C32 | C31 | C30 | H34 | 119.2° | 118.3° |
| C32 | C31 | C30 | H35 | 119.2° | 118.6° |
| C32 | C31 | C30 | N29 | 2.7° | 22.3° |
| C31 | C32 | C33 | N29 | 45.2° | 37.1° |
| C32 | C31 | C30 | H32 | 116.7° | 97.1° |
| C32 | C31 | C30 | H33 | 122.1° | 141.7° |
| C32 | C31 | H34 | H35 | 122.3° | 123.3° |
| C31 | C32 | H36 | H37 | 123.8° | 123.9° |
| C31 | C32 | C33 | H38 | 73.6° | 81.8° |
| C31 | C32 | C33 | H39 | 164.0° | 156.0° |
| C33 | C32 | C31 | C30 | 28.9° | 35.6° |
| C32 | C33 | N29 | C30 | 44.6° | 24.1° |
| C32 | C33 | N29 | H38 | 118.8° | 118.9° |
| C32 | C33 | N29 | H39 | 118.8° | 118.9° |
| C32 | C33 | N29 | C28 | 173.2° | 146.4° |
| C33 | C32 | C31 | H34 | 148.1° | 82.7° |
| C33 | C32 | C31 | H35 | 90.3° | 154.1° |
| C33 | C32 | H36 | H37 | 123.8° | 123.9° |
| C32 | C33 | H38 | H39 | 123.5° | 122.3° |
| C31 | C30 | N29 | H32 | 119.4° | 119.4° |
| C31 | C30 | N29 | H33 | 119.4° | 119.5° |
| C31 | C30 | N29 | C33 | 25.9° | 1.0° |
| C31 | C30 | N29 | C28 | 155.0° | 123.2° |
| C31 | C30 | H32 | H33 | 121.8° | 121.2° |
| C30 | C31 | H34 | H35 | 122.3° | 123.1° |
| C30 | C31 | C32 | H36 | 147.6° | 153.7° |
| C30 | C31 | C32 | H37 | 89.8° | 82.4° |
| C30 | N29 | C33 | C28 | 128.6° | 122.3° |
| C30 | N29 | C28 | C27 | 21.8° | 169.9° |
| C30 | N29 | C28 | H30 | 142.3° | 70.0° |
| C30 | N29 | C28 | H31 | 98.7° | 50.0° |
| N29 | C30 | H32 | H33 | 121.8° | 121.0° |
| N29 | C30 | C31 | H34 | 121.9° | 96.1° |
| N29 | C30 | C31 | H35 | 116.5° | 140.8° |
| C30 | N29 | C33 | H38 | 74.2° | 94.8° |
| C30 | N29 | C33 | H39 | 163.4° | 143.0° |
| C33 | N29 | C28 | C27 | 101.3° | 69.2° |
| C33 | N29 | C28 | H30 | 19.2° | 50.9° |
| C33 | N29 | C28 | H31 | 138.1° | 170.9° |
| C33 | N29 | C30 | H32 | 145.2° | 120.4° |
| C33 | N29 | C30 | H33 | 93.5° | 118.5° |
| N29 | C33 | C32 | H36 | 163.9° | 155.2° |
| N29 | C33 | C32 | H37 | 73.5° | 81.0° |
| N29 | C33 | H38 | H39 | 123.5° | 122.3° |
| N29 | C28 | C27 | H30 | 120.5° | 120.1° |
| N29 | C28 | C27 | H31 | 120.5° | 120.0° |
| N29 | C28 | C27 | C26 | 153.2° | 180.0° |
| N29 | C28 | C27 | H28 | 86.2° | 60.0° |
| N29 | C28 | C27 | H29 | 32.5° | 60.0° |
| N29 | C28 | H30 | H31 | 118.4° | 120.0° |
| C28 | N29 | C30 | H32 | 85.6° | 117.4° |
| C28 | N29 | C30 | H33 | 35.6° | 3.7° |
| C28 | N29 | C33 | H38 | 54.4° | 27.5° |
| C28 | N29 | C33 | H39 | 68.0° | 94.8° |
| C28 | C27 | C26 | H28 | 120.6° | 120.0° |
| C28 | C27 | C26 | H29 | 120.6° | 120.0° |
| C28 | C27 | C26 | O25 | 45.5° | 180.0° |
| C28 | C27 | C26 | H26 | 74.3° | 60.1° |
| C28 | C27 | C26 | H27 | 165.3° | 60.0° |
| C28 | C27 | H28 | H29 | 118.1° | 120.0° |
| C27 | C28 | H30 | H31 | 118.3° | 119.9° |
| C27 | C26 | O25 | H26 | 119.8° | 120.0° |
| C27 | C26 | O25 | H27 | 119.8° | 120.0° |
| C27 | C26 | O25 | C24 | 142.9° | 180.0° |
| C27 | C26 | H26 | H27 | 120.5° | 120.0° |
| C26 | C27 | H28 | H29 | 118.1° | 120.0° |
| C26 | C27 | C28 | H30 | 32.6° | 59.9° |
| C26 | C27 | C28 | H31 | 86.3° | 60.0° |
| C26 | O25 | C24 | C21 | 151.1° | 180.0° |
| C26 | O25 | C24 | C34 | 30.3° | 0.0° |
| O25 | C26 | H26 | H27 | 120.6° | 120.0° |
| O25 | C26 | C27 | H28 | 166.0° | 60.0° |
| O25 | C26 | C27 | H29 | 75.2° | 60.0° |
| O25 | C24 | C21 | O22 | 1.0° | 0.0° |
| O25 | C24 | C21 | C34 | 178.6° | 180.0° |
| O25 | C24 | C21 | C20 | 179.2° | 180.0° |
| O25 | C24 | C34 | C35 | 178.9° | 179.7° |
| C24 | O25 | C26 | H26 | 97.3° | 60.0° |
| C24 | O25 | C26 | H27 | 23.1° | 60.0° |
| O25 | C24 | C34 | H40 | 1.1° | 0.1° |
| C23 | O22 | C21 | C24 | 173.6° | 179.9° |
| C23 | O22 | C21 | C20 | 6.7° | 0.0° |
| O22 | C23 | H23 | H24 | 120.0° | 120.0° |
| O22 | C23 | H23 | H25 | 120.0° | 119.9° |
| O22 | C23 | H24 | H25 | 120.0° | 120.0° |
| O22 | C21 | C24 | C20 | 179.7° | 180.0° |
| O22 | C21 | C24 | C34 | 179.7° | 180.0° |
| O22 | C21 | C20 | C19 | 179.9° | 180.0° |
| O22 | C21 | C20 | H22 | 0.1° | 0.0° |
| C21 | O22 | C23 | H23 | 180.0° | 180.0° |
| C21 | O22 | C23 | H24 | 60.0° | 60.0° |
| C21 | O22 | C23 | H25 | 60.0° | 60.0° |
| C21 | C24 | C34 | C35 | 0.5° | 0.3° |
| C24 | C21 | C20 | C19 | 0.2° | 0.0° |
| C24 | C21 | C20 | H22 | 179.9° | 180.0° |
| C21 | C24 | C34 | H40 | 179.5° | 179.9° |
| C34 | C24 | C21 | C20 | 0.6° | 0.1° |
| C24 | C34 | C35 | H40 | 180.0° | 179.6° |
| C24 | C34 | C35 | C19 | 0.0° | 0.6° |
| C24 | C34 | C35 | N36 | 179.6° | 179.9° |
| C21 | C20 | C19 | H22 | 180.0° | 180.0° |
| C21 | C20 | C19 | C35 | 0.4° | 0.3° |
| C21 | C20 | C19 | C8 | 179.5° | 180.0° |
| C34 | C35 | C19 | C20 | 0.5° | 0.5° |
| C34 | C35 | C19 | N36 | 179.6° | 179.5° |
| C34 | C35 | C19 | C8 | 179.4° | 179.7° |
| C34 | C35 | N36 | C6 | 179.1° | 180.0° |
| C20 | C19 | C35 | C8 | 179.9° | 179.8° |
| C20 | C19 | C35 | N36 | 179.9° | 179.9° |
| C20 | C19 | C8 | N9 | 0.0° | 0.0° |
| C20 | C19 | C8 | N7 | 179.0° | 180.0° |
| C19 | C35 | N36 | C6 | 0.5° | 0.5° |
| C35 | C19 | C8 | N9 | 180.0° | 179.7° |
| C35 | C19 | C8 | N7 | 1.1° | 0.2° |
| C35 | C19 | C20 | H22 | 179.6° | 179.7° |
| C19 | C35 | C34 | H40 | 180.0° | 179.8° |
| N36 | C35 | C19 | C8 | 0.1° | 0.2° |
| C35 | N36 | C6 | N7 | 1.8° | 0.9° |
| C35 | N36 | C6 | N5 | 179.5° | 179.9° |
| N36 | C35 | C34 | H40 | 0.4° | 0.3° |
| C19 | C8 | N9 | N7 | 178.9° | 180.0° |
| C19 | C8 | N7 | C6 | 2.4° | 0.6° |
| C19 | C8 | N9 | C10 | 148.8° | 180.0° |
| C8 | C19 | C20 | H22 | 0.5° | 0.0° |
| C19 | C8 | N9 | H44 | 25.9° | 0.0° |
| N36 | C6 | N7 | C8 | 2.8° | 0.9° |
| N36 | C6 | N7 | N5 | 177.6° | 179.0° |
| N36 | C6 | N5 | C3 | 28.3° | 1.0° |
| N36 | C6 | N5 | H43 | 151.7° | 179.1° |
| C1 | C2 | C3 | O4 | 117.5° | 0.0° |
| C1 | C2 | C3 | H20 | 120.2° | 120.0° |
| C1 | C2 | C3 | H21 | 120.2° | 120.0° |
| C1 | C2 | C3 | N5 | 63.5° | 180.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.1° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | H20 | H21 | 119.4° | 120.1° |
| N9 | C8 | N7 | C6 | 178.8° | 179.4° |
| C8 | N9 | C10 | H44 | 122.8° | 180.0° |
| C8 | N9 | C10 | C11 | 47.4° | 85.3° |
| C8 | N9 | C10 | C18 | 81.3° | 155.0° |
| C8 | N9 | C10 | H4 | 162.3° | 34.9° |
| C8 | N7 | C6 | N5 | 179.6° | 180.0° |
| N7 | C8 | N9 | C10 | 30.1° | 0.0° |
| N7 | C8 | N9 | H44 | 152.9° | 180.0° |
| N7 | C6 | N5 | C3 | 153.8° | 180.0° |
| N7 | C6 | N5 | H43 | 26.2° | 0.0° |
| C6 | N5 | C3 | O4 | 51.7° | 0.0° |
| C6 | N5 | C3 | C2 | 129.3° | 180.0° |
| C6 | N5 | C3 | H43 | 180.0° | 180.0° |
| N9 | C10 | C11 | C18 | 131.0° | 120.0° |
| N9 | C10 | C11 | H4 | 115.3° | 120.1° |
| N9 | C10 | C11 | C12 | 179.6° | 62.3° |
| N9 | C10 | C18 | H4 | 116.8° | 120.1° |
| N9 | C10 | C18 | C17 | 170.2° | 62.3° |
| N9 | C10 | C11 | H5 | 60.4° | 57.6° |
| N9 | C10 | C11 | H6 | 59.6° | 177.8° |
| N9 | C10 | C18 | H18 | 50.3° | 177.7° |
| N9 | C10 | C18 | H19 | 69.8° | 57.6° |
| O4 | C3 | C2 | N5 | 179.0° | 180.0° |
| O4 | C3 | C2 | H20 | 2.7° | 119.9° |
| O4 | C3 | C2 | H21 | 122.3° | 120.0° |
| O4 | C3 | N5 | H43 | 128.3° | 180.0° |
| C3 | C2 | C1 | H1 | 180.0° | 60.0° |
| C3 | C2 | C1 | H2 | 60.0° | 60.0° |
| C3 | C2 | C1 | H3 | 60.0° | 180.0° |
| C3 | C2 | H20 | H21 | 119.4° | 120.0° |
| C2 | C3 | N5 | H43 | 50.7° | 0.0° |
| N5 | C3 | C2 | H20 | 176.3° | 60.0° |
| N5 | C3 | C2 | H21 | 56.7° | 60.0° |
| C10 | C11 | C12 | H5 | 120.0° | 119.9° |
| C10 | C11 | C12 | H6 | 120.0° | 120.0° |
| C11 | C10 | C18 | H4 | 113.7° | 119.9° |
| C10 | C11 | C12 | N13 | 11.8° | 59.2° |
| C11 | C10 | C18 | C17 | 60.2° | 57.7° |
| C10 | C11 | H5 | H6 | 120.0° | 120.2° |
| C10 | C11 | C12 | H7 | 108.4° | 60.8° |
| C10 | C11 | C12 | H8 | 132.1° | 179.2° |
| C11 | C10 | C18 | H18 | 179.8° | 62.3° |
| C11 | C10 | C18 | H19 | 59.7° | 177.6° |
| C11 | C10 | N9 | H44 | 75.5° | 94.7° |
| C12 | C11 | C10 | C18 | 49.4° | 57.7° |
| C11 | C12 | N13 | H7 | 120.2° | 120.0° |
| C11 | C12 | N13 | H8 | 120.3° | 120.0° |
| C11 | C12 | N13 | C17 | 65.4° | 61.7° |
| C11 | C12 | N13 | C14 | 167.8° | 174.2° |
| C12 | C11 | C10 | H4 | 64.3° | 177.6° |
| C12 | C11 | H5 | H6 | 120.0° | 120.0° |
| C11 | C12 | H7 | H8 | 119.3° | 120.1° |
| C10 | C18 | C17 | H18 | 120.0° | 120.0° |
| C10 | C18 | C17 | H19 | 120.0° | 119.9° |
| C10 | C18 | C17 | N13 | 7.5° | 59.2° |
| C18 | C10 | C11 | H5 | 70.5° | 177.6° |
| C18 | C10 | C11 | H6 | 169.5° | 62.2° |
| C10 | C18 | C17 | H16 | 112.7° | 179.2° |
| C10 | C18 | C17 | H17 | 127.8° | 60.8° |
| C10 | C18 | H18 | H19 | 120.1° | 120.0° |
| C18 | C10 | N9 | H44 | 155.9° | 25.0° |
| C12 | N13 | C17 | C18 | 53.9° | 61.8° |
| C12 | N13 | C17 | C14 | 125.1° | 124.1° |
| C12 | N13 | C14 | C16 | 28.8° | 180.0° |
| C12 | N13 | C14 | C15 | 159.1° | 60.0° |
| N13 | C12 | C11 | H5 | 131.8° | 179.1° |
| N13 | C12 | C11 | H6 | 108.2° | 60.8° |
| N13 | C12 | H7 | H8 | 119.2° | 120.0° |
| C12 | N13 | C14 | H9 | 86.2° | 60.0° |
| C12 | N13 | C17 | H16 | 174.1° | 178.2° |
| C12 | N13 | C17 | H17 | 66.4° | 58.3° |
| C18 | C17 | N13 | H16 | 120.3° | 120.0° |
| C18 | C17 | N13 | H17 | 120.3° | 120.0° |
| C18 | C17 | N13 | C14 | 178.9° | 174.1° |
| C17 | C18 | C10 | H4 | 53.5° | 177.6° |
| C18 | C17 | H16 | H17 | 119.1° | 120.0° |
| C17 | C18 | H18 | H19 | 120.1° | 120.1° |
| C17 | N13 | C14 | C16 | 95.6° | 55.8° |
| C17 | N13 | C14 | C15 | 34.8° | 175.8° |
| C17 | N13 | C12 | H7 | 54.8° | 58.2° |
| C17 | N13 | C12 | H8 | 174.3° | 178.2° |
| C17 | N13 | C14 | H9 | 149.4° | 64.2° |
| N13 | C17 | H16 | H17 | 119.2° | 120.0° |
| N13 | C17 | C18 | H18 | 127.5° | 60.8° |
| N13 | C17 | C18 | H19 | 112.4° | 179.1° |
| N13 | C14 | C16 | C15 | 131.1° | 120.0° |
| N13 | C14 | C16 | H9 | 115.2° | 120.0° |
| N13 | C14 | C15 | H9 | 114.9° | 120.0° |
| C14 | N13 | C12 | H7 | 72.0° | 65.9° |
| C14 | N13 | C12 | H8 | 47.5° | 54.1° |
| N13 | C14 | C15 | H10 | 180.0° | 180.0° |
| N13 | C14 | C15 | H11 | 60.0° | 60.0° |
| N13 | C14 | C15 | H12 | 60.0° | 60.0° |
| N13 | C14 | C16 | H13 | 180.0° | 59.9° |
| N13 | C14 | C16 | H14 | 60.0° | 180.0° |
| N13 | C14 | C16 | H15 | 60.0° | 60.0° |
| C14 | N13 | C17 | H16 | 60.8° | 54.1° |
| C14 | N13 | C17 | H17 | 58.6° | 65.9° |
| C16 | C14 | C15 | H9 | 113.9° | 119.9° |
| C16 | C14 | C15 | H10 | 48.8° | 60.0° |
| C16 | C14 | C15 | H11 | 168.8° | 180.0° |
| C16 | C14 | C15 | H12 | 71.2° | 60.0° |
| C14 | C16 | H13 | H14 | 120.0° | 120.1° |
| C14 | C16 | H13 | H15 | 120.0° | 120.0° |
| C14 | C16 | H14 | H15 | 120.0° | 120.0° |
| C14 | C15 | H10 | H11 | 120.0° | 120.0° |
| C14 | C15 | H10 | H12 | 120.0° | 119.9° |
| C14 | C15 | H11 | H12 | 120.0° | 120.0° |
| C15 | C14 | C16 | H13 | 48.9° | 180.0° |
| C15 | C14 | C16 | H14 | 71.1° | 60.0° |
| C15 | C14 | C16 | H15 | 168.9° | 60.0° |
| H1 | C1 | H2 | H3 | 120.0° | 119.9° |
| H1 | C1 | C2 | H20 | 59.8° | 60.0° |
| H1 | C1 | C2 | H21 | 59.8° | 180.0° |
| H2 | C1 | C2 | H20 | 60.2° | 180.0° |
| H2 | C1 | C2 | H21 | 179.8° | 60.0° |
| H3 | C1 | C2 | H20 | 179.8° | 60.0° |
| H3 | C1 | C2 | H21 | 60.2° | 60.0° |
| H4 | C10 | C11 | H5 | 175.8° | 62.5° |
| H4 | C10 | C11 | H6 | 55.8° | 57.6° |
| H4 | C10 | C18 | H18 | 66.5° | 57.6° |
| H4 | C10 | C18 | H19 | 173.4° | 62.5° |
| H4 | C10 | N9 | H44 | 39.5° | 145.1° |
| H5 | C11 | C12 | H7 | 11.6° | 59.2° |
| H5 | C11 | C12 | H8 | 107.9° | 60.9° |
| H6 | C11 | C12 | H7 | 131.6° | 179.2° |
| H6 | C11 | C12 | H8 | 12.0° | 59.2° |
| H9 | C14 | C15 | H10 | 65.1° | 60.0° |
| H9 | C14 | C15 | H11 | 54.9° | 60.0° |
| H9 | C14 | C15 | H12 | 174.9° | 180.0° |
| H9 | C14 | C16 | H13 | 64.8° | 60.1° |
| H9 | C14 | C16 | H14 | 175.1° | 60.0° |
| H9 | C14 | C16 | H15 | 55.2° | 180.0° |
| H10 | C15 | H11 | H12 | 120.0° | 120.0° |
| H13 | C16 | H14 | H15 | 120.0° | 119.9° |
| H16 | C17 | C18 | H18 | 7.2° | 59.2° |
| H16 | C17 | C18 | H19 | 127.3° | 60.9° |
| H17 | C17 | C18 | H18 | 112.2° | 179.2° |
| H17 | C17 | C18 | H19 | 7.9° | 59.1° |
| H23 | C23 | H24 | H25 | 120.0° | 120.0° |
| H26 | C26 | C27 | H28 | 46.2° | 60.0° |
| H26 | C26 | C27 | H29 | 165.0° | 180.0° |
| H27 | C26 | C27 | H28 | 74.1° | NaN° |
| H27 | C26 | C27 | H29 | 44.7° | 60.0° |
| H28 | C27 | C28 | H30 | 153.2° | 180.0° |
| H28 | C27 | C28 | H31 | 34.3° | 60.0° |
| H29 | C27 | C28 | H30 | 88.0° | 60.0° |
| H29 | C27 | C28 | H31 | 153.1° | 180.0° |
| H32 | C30 | C31 | H34 | 2.5° | 144.6° |
| H32 | C30 | C31 | H35 | 124.1° | 21.4° |
| H33 | C30 | C31 | H34 | 118.7° | 23.4° |
| H33 | C30 | C31 | H35 | 2.8° | 99.7° |
| H34 | C31 | C32 | H36 | 93.2° | 35.4° |
| H34 | C31 | C32 | H37 | 29.4° | 159.2° |
| H35 | C31 | C32 | H36 | 28.4° | 87.8° |
| H35 | C31 | C32 | H37 | 151.0° | 36.0° |
| H36 | C32 | C33 | H38 | 45.1° | 36.3° |
| H36 | C32 | C33 | H39 | 77.4° | 85.9° |
| H37 | C32 | C33 | H38 | 167.8° | 160.1° |
| H37 | C32 | C33 | H39 | 45.3° | 37.9° |
