SQS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.43Å | 1.44Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| N2 | C2 | sing | 1.47Å | 1.46Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| O3 | C3 | sing | 1.43Å | 1.45Å | |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C4 | C5 | doub | 1.31Å | 1.33Å | |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| O3 | H17 | sing | 0.97Å | 0.95Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C2 | H19 | sing | 1.09Å | 1.10Å | |
| N2 | H20 | sing | 1.01Å | 1.00Å | |
| N2 | H21 | sing | 1.01Å | 1.00Å | |
| C1 | H23 | sing | 1.09Å | 1.10Å | |
| C1 | H24 | sing | 1.09Å | 1.10Å | |
| O1 | H25 | sing | 0.97Å | 0.95Å | |
| C9 | H26 | sing | 1.09Å | 1.10Å | |
| C9 | H27 | sing | 1.09Å | 1.10Å | |
| C11 | H28 | sing | 1.09Å | 1.10Å | |
| C11 | H29 | sing | 1.09Å | 1.10Å | |
| C12 | H30 | sing | 1.09Å | 1.10Å | |
| C12 | H31 | sing | 1.09Å | 1.10Å | |
| C14 | H32 | sing | 1.09Å | 1.10Å | |
| C14 | H33 | sing | 1.09Å | 1.10Å | |
| C16 | H34 | sing | 1.09Å | 1.10Å | |
| C16 | H35 | sing | 1.09Å | 1.10Å | |
| C18 | H36 | sing | 1.09Å | 1.10Å | |
| C18 | H37 | sing | 1.09Å | 1.10Å | |
| C18 | H38 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 109.9° | 109.5° |
| O1 | C1 | H23 | 109.4° | 109.5° |
| O1 | C1 | H24 | 109.3° | 109.5° |
| C1 | O1 | H25 | 109.5° | 114.1° |
| C1 | C2 | N2 | 109.2° | 109.4° |
| C1 | C2 | C3 | 114.7° | 109.5° |
| C1 | C2 | H19 | 107.4° | 109.5° |
| C2 | C1 | H23 | 109.3° | 109.5° |
| C2 | C1 | H24 | 109.4° | 109.4° |
| N2 | C2 | C3 | 109.7° | 109.5° |
| N2 | C2 | H19 | 108.4° | 109.5° |
| C2 | N2 | H20 | 109.5° | 111.0° |
| C2 | N2 | H21 | 109.5° | 111.0° |
| C2 | C3 | O3 | 112.1° | 109.5° |
| C2 | C3 | C4 | 111.5° | 109.5° |
| C2 | C3 | H18 | 107.5° | 109.5° |
| C3 | C2 | H19 | 107.3° | 109.5° |
| O3 | C3 | C4 | 109.2° | 109.5° |
| C3 | O3 | H17 | 109.5° | 114.0° |
| O3 | C3 | H18 | 108.6° | 109.5° |
| C3 | C4 | C5 | 122.0° | 120.0° |
| C3 | C4 | H1 | 119.0° | 120.0° |
| C4 | C3 | H18 | 107.7° | 109.5° |
| C4 | C5 | C6 | 118.9° | 120.0° |
| C5 | C4 | H1 | 119.0° | 120.0° |
| C4 | C5 | H2 | 120.5° | 120.1° |
| C5 | C6 | C7 | 109.9° | 109.5° |
| C6 | C5 | H2 | 120.5° | 120.0° |
| C5 | C6 | H3 | 109.3° | 109.5° |
| C5 | C6 | H4 | 109.3° | 109.5° |
| C6 | C7 | C8 | 112.5° | 109.5° |
| C7 | C6 | H3 | 109.4° | 109.4° |
| C7 | C6 | H4 | 109.4° | 109.5° |
| C6 | C7 | H5 | 108.7° | 109.5° |
| C6 | C7 | H6 | 108.7° | 109.5° |
| C7 | C8 | C9 | 110.7° | 109.5° |
| C8 | C7 | H5 | 108.7° | 109.5° |
| C8 | C7 | H6 | 108.7° | 109.5° |
| C7 | C8 | H7 | 109.2° | 109.4° |
| C7 | C8 | H8 | 109.1° | 109.4° |
| C8 | C9 | C10 | 111.9° | 109.4° |
| C9 | C8 | H7 | 109.2° | 109.5° |
| C9 | C8 | H8 | 109.2° | 109.5° |
| C8 | C9 | H26 | 108.8° | 109.5° |
| C8 | C9 | H27 | 108.9° | 109.5° |
| C9 | C10 | C11 | 109.9° | 109.4° |
| C9 | C10 | H9 | 109.3° | 109.5° |
| C9 | C10 | H10 | 109.3° | 109.5° |
| C10 | C9 | H26 | 108.9° | 109.5° |
| C10 | C9 | H27 | 108.8° | 109.5° |
| C10 | C11 | C12 | 113.9° | 109.4° |
| C11 | C10 | H9 | 109.4° | 109.5° |
| C11 | C10 | H10 | 109.4° | 109.4° |
| C10 | C11 | H28 | 108.4° | 109.5° |
| C10 | C11 | H29 | 108.3° | 109.5° |
| C11 | C12 | C13 | 113.2° | 109.5° |
| C12 | C11 | H28 | 108.3° | 109.5° |
| C12 | C11 | H29 | 108.4° | 109.4° |
| C11 | C12 | H30 | 108.5° | 109.5° |
| C11 | C12 | H31 | 108.5° | 109.5° |
| C12 | C13 | C14 | 112.3° | 109.5° |
| C12 | C13 | H11 | 108.8° | 109.5° |
| C12 | C13 | H12 | 108.8° | 109.4° |
| C13 | C12 | H30 | 108.5° | 109.5° |
| C13 | C12 | H31 | 108.5° | 109.5° |
| C18 | C17 | C16 | 112.1° | 109.5° |
| C18 | C17 | H15 | 108.8° | 109.5° |
| C18 | C17 | H16 | 108.8° | 109.5° |
| C17 | C18 | H36 | 109.5° | 109.4° |
| C17 | C18 | H37 | 109.5° | 109.5° |
| C17 | C18 | H38 | 109.4° | 109.4° |
| C13 | C14 | C15 | 114.7° | 109.5° |
| C14 | C13 | H11 | 108.8° | 109.5° |
| C14 | C13 | H12 | 108.8° | 109.5° |
| C13 | C14 | H32 | 108.2° | 109.4° |
| C13 | C14 | H33 | 108.2° | 109.5° |
| C17 | C16 | C15 | 112.4° | 109.5° |
| C16 | C17 | H15 | 108.8° | 109.5° |
| C16 | C17 | H16 | 108.8° | 109.4° |
| C17 | C16 | H34 | 108.7° | 109.5° |
| C17 | C16 | H35 | 108.7° | 109.4° |
| C16 | C15 | C14 | 112.9° | 109.5° |
| C16 | C15 | H13 | 108.6° | 109.4° |
| C16 | C15 | H14 | 108.6° | 109.4° |
| C15 | C16 | H34 | 108.7° | 109.5° |
| C15 | C16 | H35 | 108.7° | 109.5° |
| C14 | C15 | H13 | 108.6° | 109.5° |
| C14 | C15 | H14 | 108.6° | 109.5° |
| C15 | C14 | H32 | 108.2° | 109.4° |
| C15 | C14 | H33 | 108.1° | 109.5° |
| H3 | C6 | H4 | 109.5° | 109.5° |
| H5 | C7 | H6 | 109.5° | 109.5° |
| H7 | C8 | H8 | 109.5° | 109.4° |
| H9 | C10 | H10 | 109.5° | 109.5° |
| H11 | C13 | H12 | 109.5° | 109.5° |
| H13 | C15 | H14 | 109.5° | 109.5° |
| H15 | C17 | H16 | 109.5° | 109.5° |
| H20 | N2 | H21 | 109.5° | 111.0° |
| H23 | C1 | H24 | 109.5° | 109.4° |
| H26 | C9 | H27 | 109.5° | 109.5° |
| H28 | C11 | H29 | 109.5° | 109.5° |
| H30 | C12 | H31 | 109.5° | 109.5° |
| H32 | C14 | H33 | 109.5° | 109.5° |
| H34 | C16 | H35 | 109.5° | 109.5° |
| H36 | C18 | H37 | 109.5° | 109.5° |
| H36 | C18 | H38 | 109.5° | 109.4° |
| H37 | C18 | H38 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | H23 | 120.1° | 120.0° |
| O1 | C1 | C2 | H24 | 120.1° | 120.0° |
| O1 | C1 | C2 | N2 | 87.8° | 65.0° |
| O1 | C1 | C2 | C3 | 148.7° | 175.0° |
| O1 | C1 | C2 | H19 | 29.6° | 55.0° |
| O1 | C1 | H23 | H24 | 119.8° | 120.0° |
| C1 | C2 | N2 | C3 | 126.5° | 120.0° |
| C1 | C2 | N2 | H19 | 116.7° | 120.0° |
| C1 | C2 | C3 | H19 | 119.2° | 120.0° |
| C1 | C2 | C3 | O3 | 72.4° | 60.0° |
| C1 | C2 | C3 | C4 | 50.4° | 180.0° |
| C1 | C2 | C3 | H18 | 168.2° | 60.0° |
| C1 | C2 | N2 | H20 | 180.0° | 60.0° |
| C1 | C2 | N2 | H21 | 60.0° | 64.0° |
| C2 | C1 | H23 | H24 | 119.8° | 119.9° |
| C2 | C1 | O1 | H25 | 180.0° | 180.0° |
| N2 | C2 | C3 | H19 | 117.5° | 120.0° |
| N2 | C2 | C3 | O3 | 50.8° | 180.0° |
| N2 | C2 | C3 | C4 | 173.6° | 60.0° |
| N2 | C2 | C3 | H18 | 68.5° | 60.0° |
| C2 | N2 | H20 | H21 | 120.0° | 124.0° |
| N2 | C2 | C1 | H23 | 152.2° | 55.0° |
| N2 | C2 | C1 | H24 | 32.3° | 175.0° |
| C2 | C3 | O3 | C4 | 124.1° | 120.0° |
| C2 | C3 | O3 | H18 | 118.6° | 120.0° |
| C2 | C3 | C4 | H18 | 117.7° | 120.0° |
| C2 | C3 | C4 | C5 | 51.2° | 125.0° |
| C2 | C3 | C4 | H1 | 128.8° | 54.8° |
| C2 | C3 | O3 | H17 | 180.0° | 60.0° |
| C3 | C2 | N2 | H20 | 53.5° | 60.0° |
| C3 | C2 | N2 | H21 | 66.5° | 176.0° |
| C3 | C2 | C1 | H23 | 28.7° | 65.0° |
| C3 | C2 | C1 | H24 | 91.2° | 55.0° |
| O3 | C3 | C4 | H18 | 117.8° | 120.0° |
| O3 | C3 | C4 | C5 | 175.7° | 5.0° |
| O3 | C3 | C4 | H1 | 4.4° | 174.7° |
| O3 | C3 | C2 | H19 | 168.3° | 60.0° |
| C3 | C4 | C5 | H1 | 180.0° | 179.7° |
| C3 | C4 | C5 | C6 | 179.7° | 179.7° |
| C3 | C4 | C5 | H2 | 0.3° | 0.3° |
| C4 | C3 | O3 | H17 | 55.9° | 60.0° |
| C4 | C3 | C2 | H19 | 68.8° | 60.0° |
| C4 | C5 | C6 | H2 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 73.5° | 125.0° |
| C4 | C5 | C6 | H3 | 166.4° | 115.0° |
| C4 | C5 | C6 | H4 | 46.6° | 5.0° |
| C5 | C4 | C3 | H18 | 66.5° | 115.0° |
| C5 | C6 | C7 | H3 | 120.0° | 120.0° |
| C5 | C6 | C7 | H4 | 120.1° | 120.1° |
| C5 | C6 | C7 | C8 | 99.3° | 180.0° |
| C6 | C5 | C4 | H1 | 0.2° | 0.0° |
| C5 | C6 | H3 | H4 | 119.8° | 120.0° |
| C5 | C6 | C7 | H5 | 140.3° | 60.0° |
| C5 | C6 | C7 | H6 | 21.2° | 60.0° |
| C6 | C7 | C8 | H5 | 120.5° | 120.0° |
| C6 | C7 | C8 | H6 | 120.5° | 120.0° |
| C6 | C7 | C8 | C9 | 172.4° | 180.0° |
| C7 | C6 | C5 | H2 | 106.5° | 55.0° |
| C7 | C6 | H3 | H4 | 119.8° | 120.0° |
| C6 | C7 | H5 | H6 | 118.7° | 120.0° |
| C6 | C7 | C8 | H7 | 67.4° | 60.0° |
| C6 | C7 | C8 | H8 | 52.2° | 59.9° |
| C7 | C8 | C9 | H7 | 120.2° | 120.0° |
| C7 | C8 | C9 | H8 | 120.2° | 120.0° |
| C7 | C8 | C9 | C10 | 140.6° | 180.0° |
| C8 | C7 | C6 | H3 | 20.8° | 60.0° |
| C8 | C7 | C6 | H4 | 140.7° | 59.9° |
| C8 | C7 | H5 | H6 | 118.6° | 120.0° |
| C7 | C8 | H7 | H8 | 119.4° | 119.9° |
| C7 | C8 | C9 | H26 | 99.0° | 60.0° |
| C7 | C8 | C9 | H27 | 20.3° | 60.0° |
| C8 | C9 | C10 | H26 | 120.4° | 120.0° |
| C8 | C9 | C10 | H27 | 120.4° | 120.0° |
| C8 | C9 | C10 | C11 | 170.5° | 180.0° |
| C9 | C8 | C7 | H5 | 51.9° | 60.0° |
| C9 | C8 | C7 | H6 | 67.1° | 60.0° |
| C9 | C8 | H7 | H8 | 119.5° | 120.1° |
| C8 | C9 | C10 | H9 | 69.5° | 60.1° |
| C8 | C9 | C10 | H10 | 50.4° | 60.0° |
| C8 | C9 | H26 | H27 | 118.9° | 120.0° |
| C9 | C10 | C11 | H9 | 120.0° | 120.0° |
| C9 | C10 | C11 | H10 | 120.1° | 120.0° |
| C9 | C10 | C11 | C12 | 142.7° | 180.0° |
| C10 | C9 | C8 | H7 | 20.4° | 60.0° |
| C10 | C9 | C8 | H8 | 99.2° | 60.0° |
| C9 | C10 | H9 | H10 | 119.8° | 120.1° |
| C10 | C9 | H26 | H27 | 118.9° | 120.0° |
| C9 | C10 | C11 | H28 | 96.7° | 60.0° |
| C9 | C10 | C11 | H29 | 22.1° | 60.0° |
| C10 | C11 | C12 | H28 | 120.7° | 120.1° |
| C10 | C11 | C12 | H29 | 120.6° | 120.0° |
| C10 | C11 | C12 | C13 | 116.9° | 180.0° |
| C11 | C10 | H9 | H10 | 119.8° | 120.0° |
| C11 | C10 | C9 | H26 | 50.1° | 60.0° |
| C11 | C10 | C9 | H27 | 69.2° | 60.1° |
| C10 | C11 | H28 | H29 | 118.0° | 120.1° |
| C10 | C11 | C12 | H30 | 122.6° | 60.0° |
| C10 | C11 | C12 | H31 | 3.7° | 60.0° |
| C11 | C12 | C13 | H30 | 120.5° | 120.0° |
| C11 | C12 | C13 | H31 | 120.6° | 120.0° |
| C11 | C12 | C13 | C14 | 169.3° | 179.9° |
| C12 | C11 | C10 | H9 | 22.7° | 60.0° |
| C12 | C11 | C10 | H10 | 97.2° | 60.0° |
| C11 | C12 | C13 | H11 | 70.3° | 60.0° |
| C11 | C12 | C13 | H12 | 48.8° | 60.0° |
| C12 | C11 | H28 | H29 | 118.0° | 119.9° |
| C11 | C12 | H30 | H31 | 118.3° | 120.0° |
| C12 | C13 | C14 | H11 | 120.4° | 120.0° |
| C12 | C13 | C14 | H12 | 120.4° | 120.0° |
| C12 | C13 | C14 | C15 | 102.3° | 180.0° |
| C12 | C13 | H11 | H12 | 118.7° | 120.0° |
| C13 | C12 | C11 | H28 | 3.8° | 60.0° |
| C13 | C12 | C11 | H29 | 122.5° | 60.0° |
| C13 | C12 | H30 | H31 | 118.3° | 120.0° |
| C12 | C13 | C14 | H32 | 137.0° | 60.1° |
| C12 | C13 | C14 | H33 | 18.5° | 60.0° |
| C18 | C17 | C16 | H15 | 120.4° | 120.0° |
| C18 | C17 | C16 | H16 | 120.4° | 120.0° |
| C18 | C17 | C16 | C15 | 153.2° | 180.0° |
| C18 | C17 | H15 | H16 | 118.7° | 120.0° |
| C18 | C17 | C16 | H34 | 32.8° | 60.0° |
| C18 | C17 | C16 | H35 | 86.3° | 60.0° |
| C17 | C18 | H36 | H37 | 120.0° | 120.0° |
| C17 | C18 | H36 | H38 | 120.0° | 119.9° |
| C17 | C18 | H37 | H38 | 120.0° | 120.0° |
| C13 | C14 | C15 | C16 | 106.2° | 180.0° |
| C13 | C14 | C15 | H32 | 120.8° | 119.9° |
| C13 | C14 | C15 | H33 | 120.8° | 120.0° |
| C14 | C13 | H11 | H12 | 118.7° | 120.0° |
| C13 | C14 | C15 | H13 | 133.3° | 60.0° |
| C13 | C14 | C15 | H14 | 14.3° | 60.0° |
| C14 | C13 | C12 | H30 | 48.7° | 59.9° |
| C14 | C13 | C12 | H31 | 70.2° | 60.0° |
| C13 | C14 | H32 | H33 | 117.6° | 120.0° |
| C17 | C16 | C15 | H34 | 120.4° | 120.0° |
| C17 | C16 | C15 | H35 | 120.4° | 120.0° |
| C17 | C16 | C15 | C14 | 146.9° | 180.0° |
| C17 | C16 | C15 | H13 | 92.6° | 60.0° |
| C17 | C16 | C15 | H14 | 26.4° | 60.0° |
| C16 | C17 | H15 | H16 | 118.8° | 120.0° |
| C17 | C16 | H34 | H35 | 118.7° | 120.0° |
| C16 | C17 | C18 | H36 | 180.0° | 60.1° |
| C16 | C17 | C18 | H37 | 60.0° | 59.9° |
| C16 | C17 | C18 | H38 | 60.0° | 180.0° |
| C16 | C15 | C14 | H13 | 120.5° | 120.0° |
| C16 | C15 | C14 | H14 | 120.5° | 120.0° |
| C16 | C15 | H13 | H14 | 118.4° | 119.9° |
| C15 | C16 | C17 | H15 | 86.4° | 60.0° |
| C15 | C16 | C17 | H16 | 32.8° | 60.0° |
| C16 | C15 | C14 | H32 | 133.0° | 60.0° |
| C16 | C15 | C14 | H33 | 14.5° | 60.0° |
| C15 | C16 | H34 | H35 | 118.7° | 120.0° |
| C15 | C14 | C13 | H11 | 18.1° | 60.0° |
| C15 | C14 | C13 | H12 | 137.3° | 60.0° |
| C14 | C15 | H13 | H14 | 118.5° | 120.1° |
| C15 | C14 | H32 | H33 | 117.6° | 120.0° |
| C14 | C15 | C16 | H34 | 26.5° | 60.0° |
| C14 | C15 | C16 | H35 | 92.7° | 60.0° |
| H1 | C4 | C5 | H2 | 179.7° | 179.9° |
| H1 | C4 | C3 | H18 | 113.5° | 65.2° |
| H2 | C5 | C6 | H3 | 13.6° | 64.9° |
| H2 | C5 | C6 | H4 | 133.4° | 175.1° |
| H3 | C6 | C7 | H5 | 99.7° | 180.0° |
| H3 | C6 | C7 | H6 | 141.2° | 60.0° |
| H4 | C6 | C7 | H5 | 20.2° | 60.1° |
| H4 | C6 | C7 | H6 | 98.9° | 180.0° |
| H5 | C7 | C8 | H7 | 172.1° | 180.0° |
| H5 | C7 | C8 | H8 | 68.3° | 60.1° |
| H6 | C7 | C8 | H7 | 53.1° | 60.0° |
| H6 | C7 | C8 | H8 | 172.7° | 179.9° |
| H7 | C8 | C9 | H26 | 140.8° | 180.0° |
| H7 | C8 | C9 | H27 | 99.9° | 60.0° |
| H8 | C8 | C9 | H26 | 21.2° | 60.0° |
| H8 | C8 | C9 | H27 | 140.4° | 180.0° |
| H9 | C10 | C9 | H26 | 170.2° | 180.0° |
| H9 | C10 | C9 | H27 | 50.9° | 59.9° |
| H9 | C10 | C11 | H28 | 143.3° | 180.0° |
| H9 | C10 | C11 | H29 | 98.0° | 59.9° |
| H10 | C10 | C9 | H26 | 70.0° | 60.0° |
| H10 | C10 | C9 | H27 | 170.7° | 180.0° |
| H10 | C10 | C11 | H28 | 23.4° | 60.0° |
| H10 | C10 | C11 | H29 | 142.1° | 180.0° |
| H11 | C13 | C12 | H30 | 169.1° | 60.0° |
| H11 | C13 | C12 | H31 | 50.2° | 180.0° |
| H11 | C13 | C14 | H32 | 102.6° | 180.0° |
| H11 | C13 | C14 | H33 | 138.9° | 60.0° |
| H12 | C13 | C12 | H30 | 71.7° | 180.0° |
| H12 | C13 | C12 | H31 | 169.4° | 60.0° |
| H12 | C13 | C14 | H32 | 16.5° | 59.9° |
| H12 | C13 | C14 | H33 | 101.9° | 180.0° |
| H13 | C15 | C14 | H32 | 12.5° | 180.0° |
| H13 | C15 | C14 | H33 | 106.0° | 60.0° |
| H13 | C15 | C16 | H34 | 147.0° | 180.0° |
| H13 | C15 | C16 | H35 | 27.8° | 60.0° |
| H14 | C15 | C14 | H32 | 106.5° | 59.9° |
| H14 | C15 | C14 | H33 | 135.0° | 180.0° |
| H14 | C15 | C16 | H34 | 94.1° | 60.0° |
| H14 | C15 | C16 | H35 | 146.8° | 180.0° |
| H15 | C17 | C16 | H34 | 153.2° | 180.0° |
| H15 | C17 | C16 | H35 | 34.0° | 60.0° |
| H15 | C17 | C18 | H36 | 59.6° | 180.0° |
| H15 | C17 | C18 | H37 | 60.4° | 60.1° |
| H15 | C17 | C18 | H38 | 179.6° | 60.0° |
| H16 | C17 | C16 | H34 | 87.6° | 60.0° |
| H16 | C17 | C16 | H35 | 153.3° | NaN° |
| H16 | C17 | C18 | H36 | 59.6° | 59.9° |
| H16 | C17 | C18 | H37 | 179.6° | 179.9° |
| H16 | C17 | C18 | H38 | 60.4° | 60.0° |
| H17 | O3 | C3 | H18 | 61.4° | 180.0° |
| H18 | C3 | C2 | H19 | 49.0° | 180.0° |
| H19 | C2 | N2 | H20 | 63.3° | 180.0° |
| H19 | C2 | N2 | H21 | 176.7° | 56.0° |
| H19 | C2 | C1 | H23 | 90.5° | 175.0° |
| H19 | C2 | C1 | H24 | 149.6° | 65.0° |
| H23 | C1 | O1 | H25 | 59.9° | 60.0° |
| H24 | C1 | O1 | H25 | 59.9° | 60.0° |
| H28 | C11 | C12 | H30 | 116.7° | 60.0° |
| H28 | C11 | C12 | H31 | 124.4° | 180.0° |
| H29 | C11 | C12 | H30 | 2.0° | 180.0° |
| H29 | C11 | C12 | H31 | 116.9° | 60.0° |
| H36 | C18 | H37 | H38 | 120.0° | 120.0° |
