5UT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.50Å | |
| CL | C3 | sing | 1.74Å | 1.78Å | |
| C20 | C1 | sing | 1.53Å | 1.51Å | |
| C20 | C21 | sing | 1.53Å | 1.57Å | |
| C1 | C21 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.51Å | 1.55Å | |
| C3 | C2 | doub | 1.38Å | 1.37Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.36Å | Aromatic |
| C19 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C9 | N1 | sing | 1.47Å | 1.48Å | |
| C10 | N2 | sing | 1.47Å | 1.46Å | |
| C11 | N2 | sing | 1.47Å | 1.48Å | |
| C11 | C16 | sing | 1.54Å | 1.52Å | |
| C11 | C12 | sing | 1.54Å | 1.53Å | |
| C5 | C6 | sing | 1.39Å | 1.42Å | Aromatic |
| C5 | O | sing | 1.36Å | 1.37Å | |
| N2 | C17 | sing | 1.47Å | 1.43Å | |
| C16 | N3 | sing | 1.48Å | 1.44Å | |
| C6 | N | sing | 1.40Å | 1.37Å | |
| N1 | C18 | sing | 1.47Å | 1.48Å | |
| N1 | C8 | sing | 1.35Å | 1.35Å | |
| C7 | N | sing | 1.47Å | 1.46Å | |
| C7 | C8 | sing | 1.51Å | 1.52Å | |
| C12 | N3 | sing | 1.48Å | 1.49Å | |
| N3 | C13 | sing | 1.35Å | 1.32Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C8 | O2 | doub | 1.21Å | 1.21Å | |
| O1 | C13 | doub | 1.22Å | 1.27Å | |
| C13 | C14 | sing | 1.47Å | 1.48Å | |
| C15 | C14 | doub | 1.33Å | 1.54Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.08Å | 1.08Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| N | H13 | sing | 0.97Å | 1.00Å | |
| O | H14 | sing | 0.97Å | 0.95Å | |
| C19 | H15 | sing | 1.08Å | 1.08Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C | H18 | sing | 1.09Å | 1.10Å | |
| C | H19 | sing | 1.09Å | 1.10Å | |
| C | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C9 | H24 | sing | 1.09Å | 1.10Å | |
| C9 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C12 | H28 | sing | 1.09Å | 1.10Å | |
| C12 | H29 | sing | 1.09Å | 1.10Å | |
| C15 | H30 | sing | 1.08Å | 1.08Å | |
| C15 | H31 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C20 | 115.5° | 117.5° |
| C | C1 | C21 | 116.3° | 117.5° |
| C | C1 | C2 | 112.7° | 115.6° |
| C1 | C | H18 | 109.5° | 109.5° |
| C1 | C | H19 | 109.5° | 109.5° |
| C1 | C | H20 | 109.5° | 109.5° |
| CL | C3 | C2 | 119.0° | 119.9° |
| CL | C3 | C4 | 117.2° | 119.9° |
| C1 | C20 | C21 | 59.4° | 60.0° |
| C20 | C1 | C21 | 62.2° | 60.0° |
| C20 | C1 | C2 | 121.2° | 117.5° |
| C1 | C20 | H9 | 120.1° | 117.5° |
| C1 | C20 | H10 | 120.1° | 117.5° |
| C20 | C21 | C1 | 58.4° | 60.0° |
| C21 | C20 | H9 | 120.1° | 117.5° |
| C21 | C20 | H10 | 120.1° | 117.5° |
| C20 | C21 | H16 | 120.3° | 117.5° |
| C20 | C21 | H17 | 120.3° | 117.5° |
| C21 | C1 | C2 | 120.1° | 117.5° |
| C1 | C21 | H16 | 120.3° | 117.5° |
| C1 | C21 | H17 | 120.3° | 117.5° |
| C1 | C2 | C3 | 124.2° | 119.9° |
| C1 | C2 | C19 | 118.8° | 120.0° |
| C2 | C3 | C4 | 123.7° | 120.2° |
| C3 | C2 | C19 | 116.8° | 120.1° |
| C3 | C4 | C5 | 118.6° | 120.0° |
| C3 | C4 | H1 | 120.7° | 120.0° |
| C2 | C19 | C6 | 121.5° | 120.0° |
| C2 | C19 | H15 | 119.3° | 120.0° |
| C4 | C5 | C6 | 119.9° | 119.9° |
| C4 | C5 | O | 122.4° | 120.1° |
| C5 | C4 | H1 | 120.7° | 120.0° |
| C19 | C6 | C5 | 119.0° | 119.8° |
| C19 | C6 | N | 121.8° | 120.1° |
| C6 | C19 | H15 | 119.2° | 120.0° |
| C10 | C9 | N1 | 109.2° | 108.6° |
| C9 | C10 | N2 | 112.7° | 109.3° |
| C9 | C10 | H2 | 108.7° | 109.5° |
| C9 | C10 | H3 | 108.7° | 109.5° |
| C10 | C9 | H24 | 109.5° | 109.6° |
| C10 | C9 | H25 | 109.5° | 109.6° |
| C9 | N1 | C18 | 115.5° | 118.2° |
| C9 | N1 | C8 | 123.7° | 120.9° |
| N1 | C9 | H24 | 109.5° | 109.6° |
| N1 | C9 | H25 | 109.6° | 109.7° |
| C10 | N2 | C11 | 109.9° | 111.0° |
| C10 | N2 | C17 | 114.7° | 111.3° |
| N2 | C10 | H2 | 108.6° | 109.5° |
| N2 | C10 | H3 | 108.7° | 109.5° |
| N2 | C11 | C16 | 112.6° | 113.8° |
| N2 | C11 | C12 | 113.3° | 113.7° |
| C11 | N2 | C17 | 118.5° | 111.0° |
| N2 | C11 | H4 | 114.1° | 112.9° |
| C16 | C11 | C12 | 87.6° | 86.3° |
| C11 | C16 | N3 | 91.4° | 86.1° |
| C16 | C11 | H4 | 113.4° | 113.8° |
| C11 | C16 | H26 | 113.8° | 113.7° |
| C11 | C16 | H27 | 113.8° | 113.8° |
| C11 | C12 | N3 | 88.9° | 86.1° |
| C12 | C11 | H4 | 113.2° | 113.8° |
| C11 | C12 | H28 | 114.3° | 113.7° |
| C11 | C12 | H29 | 114.4° | 113.8° |
| C6 | C5 | O | 117.1° | 120.0° |
| C5 | C6 | N | 119.2° | 120.1° |
| C5 | O | H14 | 109.5° | 114.0° |
| N2 | C17 | C18 | 110.7° | 109.3° |
| N2 | C17 | H21 | 109.2° | 109.5° |
| N2 | C17 | H22 | 109.2° | 109.5° |
| C16 | N3 | C12 | 92.2° | 91.0° |
| C16 | N3 | C13 | 130.1° | 134.5° |
| N3 | C16 | H26 | 113.8° | 113.7° |
| N3 | C16 | H27 | 113.8° | 113.8° |
| C6 | N | C7 | 120.4° | 120.0° |
| C6 | N | H13 | 106.7° | 120.0° |
| C18 | N1 | C8 | 120.4° | 120.9° |
| N1 | C18 | C17 | 110.8° | 108.5° |
| N1 | C18 | H7 | 109.2° | 109.6° |
| N1 | C18 | H8 | 109.1° | 109.8° |
| N1 | C8 | C7 | 121.9° | 120.0° |
| N1 | C8 | O2 | 117.9° | 120.0° |
| N | C7 | C8 | 109.9° | 109.5° |
| N | C7 | H11 | 109.4° | 109.4° |
| N | C7 | H12 | 109.3° | 109.5° |
| C7 | N | H13 | 106.6° | 120.0° |
| C7 | C8 | O2 | 120.2° | 120.0° |
| C8 | C7 | H11 | 109.4° | 109.5° |
| C8 | C7 | H12 | 109.4° | 109.5° |
| C12 | N3 | C13 | 135.8° | 134.5° |
| N3 | C12 | H28 | 114.4° | 113.8° |
| N3 | C12 | H29 | 114.3° | 113.8° |
| N3 | C13 | O1 | 118.0° | 120.0° |
| N3 | C13 | C14 | 117.7° | 120.0° |
| C17 | C18 | H7 | 109.2° | 109.7° |
| C17 | C18 | H8 | 109.1° | 109.6° |
| C18 | C17 | H21 | 109.2° | 109.5° |
| C18 | C17 | H22 | 109.1° | 109.5° |
| O1 | C13 | C14 | 124.3° | 120.0° |
| C13 | C14 | C15 | 108.6° | 120.0° |
| C13 | C14 | H5 | 125.7° | 120.0° |
| C15 | C14 | H5 | 125.7° | 120.0° |
| C14 | C15 | H30 | 120.0° | 120.0° |
| C14 | C15 | H31 | 120.0° | 120.0° |
| H2 | C10 | H3 | 109.5° | 109.5° |
| H7 | C18 | H8 | 109.5° | 109.6° |
| H9 | C20 | H10 | 109.5° | 115.5° |
| H11 | C7 | H12 | 109.5° | 109.5° |
| H16 | C21 | H17 | 109.5° | 115.5° |
| H18 | C | H19 | 109.5° | 109.5° |
| H18 | C | H20 | 109.5° | 109.4° |
| H19 | C | H20 | 109.5° | 109.5° |
| H21 | C17 | H22 | 109.4° | 109.5° |
| H24 | C9 | H25 | 109.5° | 109.7° |
| H26 | C16 | H27 | 109.5° | 113.0° |
| H28 | C12 | H29 | 109.5° | 113.0° |
| H30 | C15 | H31 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C20 | C21 | 107.7° | 107.5° |
| C | C1 | C20 | C2 | 142.2° | 145.0° |
| C | C1 | C21 | C2 | 141.8° | 145.1° |
| C | C1 | C2 | C3 | 82.7° | 86.0° |
| C | C1 | C2 | C19 | 102.0° | 94.3° |
| C | C1 | C20 | H9 | 1.6° | 0.0° |
| C | C1 | C20 | H10 | 143.0° | 145.0° |
| C | C1 | C21 | H16 | 2.6° | 145.0° |
| C | C1 | C21 | H17 | 144.5° | 0.0° |
| C1 | C | H18 | H19 | 120.0° | 120.0° |
| C1 | C | H18 | H20 | 120.0° | 120.1° |
| C1 | C | H19 | H20 | 120.0° | 120.1° |
| CL | C3 | C2 | C1 | 2.6° | 0.1° |
| CL | C3 | C2 | C4 | 177.1° | 179.9° |
| CL | C3 | C2 | C19 | 178.0° | 179.8° |
| CL | C3 | C4 | C5 | 177.1° | 180.0° |
| CL | C3 | C4 | H1 | 2.9° | 0.1° |
| C1 | C20 | C21 | H9 | 109.3° | 107.5° |
| C1 | C20 | C21 | H10 | 109.3° | 107.5° |
| C20 | C1 | C21 | C2 | 111.8° | 107.5° |
| C20 | C1 | C2 | C3 | 60.5° | 128.3° |
| C20 | C1 | C2 | C19 | 114.8° | 51.4° |
| C1 | C20 | H9 | H10 | 145.0° | 145.7° |
| C1 | C20 | C21 | H16 | 109.1° | 107.5° |
| C1 | C20 | C21 | H17 | 109.0° | 107.5° |
| C20 | C1 | C | H18 | 180.0° | 128.6° |
| C20 | C1 | C | H19 | 60.0° | 111.4° |
| C20 | C1 | C | H20 | 60.0° | 8.6° |
| C21 | C20 | H9 | H10 | 145.1° | 145.7° |
| C20 | C21 | H16 | H17 | 145.6° | 145.7° |
| C21 | C1 | C2 | C3 | 134.3° | 59.7° |
| C21 | C1 | C2 | C19 | 41.0° | 120.0° |
| C1 | C21 | H16 | H17 | 145.6° | 145.6° |
| C21 | C1 | C | H18 | 109.9° | 60.1° |
| C21 | C1 | C | H19 | 130.1° | 180.0° |
| C21 | C1 | C | H20 | 10.1° | 59.9° |
| C1 | C2 | C3 | C19 | 175.4° | 179.7° |
| C1 | C2 | C3 | C4 | 179.6° | 180.0° |
| C1 | C2 | C19 | C6 | 179.0° | 179.8° |
| C2 | C1 | C20 | H9 | 140.6° | 145.0° |
| C2 | C1 | C20 | H10 | 0.8° | 0.0° |
| C1 | C2 | C19 | H15 | 1.0° | 0.0° |
| C2 | C1 | C21 | H16 | 139.2° | 0.1° |
| C2 | C1 | C21 | H17 | 2.8° | 145.0° |
| C2 | C1 | C | H18 | 34.6° | 85.7° |
| C2 | C1 | C | H19 | 85.4° | 34.3° |
| C2 | C1 | C | H20 | 154.6° | 154.3° |
| C2 | C3 | C4 | C5 | 5.8° | 0.0° |
| C3 | C2 | C19 | C6 | 5.4° | 0.5° |
| C2 | C3 | C4 | H1 | 174.2° | 180.0° |
| C3 | C2 | C19 | H15 | 174.6° | 179.7° |
| C4 | C3 | C2 | C19 | 5.0° | 0.3° |
| C3 | C4 | C5 | H1 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 6.7° | 0.0° |
| C3 | C4 | C5 | O | 177.4° | 180.0° |
| C2 | C19 | C6 | H15 | 180.0° | 179.8° |
| C2 | C19 | C6 | C5 | 6.6° | 0.5° |
| C2 | C19 | C6 | N | 172.2° | 179.7° |
| C4 | C5 | C6 | C19 | 7.2° | 0.3° |
| C4 | C5 | C6 | O | 171.2° | 180.0° |
| C4 | C5 | C6 | N | 171.6° | 180.0° |
| C4 | C5 | O | H14 | 180.0° | 90.0° |
| C19 | C6 | C5 | N | 178.7° | 179.7° |
| C19 | C6 | C5 | O | 178.4° | 179.8° |
| C19 | C6 | N | C7 | 23.1° | 0.2° |
| C19 | C6 | N | H13 | 98.4° | 179.7° |
| C10 | C9 | N1 | H24 | 119.9° | 119.7° |
| C10 | C9 | N1 | H25 | 119.9° | 119.8° |
| C9 | C10 | N2 | H2 | 120.5° | 120.0° |
| C9 | C10 | N2 | H3 | 120.5° | 119.9° |
| C9 | C10 | N2 | C11 | 169.1° | 172.8° |
| C9 | C10 | N2 | C17 | 54.3° | 63.1° |
| C10 | C9 | N1 | C18 | 50.3° | 51.1° |
| C10 | C9 | N1 | C8 | 136.8° | 128.9° |
| C9 | C10 | H2 | H3 | 118.5° | 120.0° |
| C10 | C9 | H24 | H25 | 120.1° | 120.4° |
| N1 | C9 | C10 | N2 | 49.1° | 53.8° |
| C9 | N1 | C18 | C8 | 173.1° | 180.0° |
| C9 | N1 | C8 | C7 | 0.3° | 0.0° |
| C9 | N1 | C18 | C17 | 52.8° | 51.2° |
| C9 | N1 | C8 | O2 | 179.1° | 180.0° |
| N1 | C9 | C10 | H2 | 71.4° | 173.8° |
| N1 | C9 | C10 | H3 | 169.6° | 66.1° |
| C9 | N1 | C18 | H7 | 67.4° | 68.6° |
| C9 | N1 | C18 | H8 | 173.0° | 171.0° |
| N1 | C9 | H24 | H25 | 120.1° | 120.5° |
| C10 | N2 | C11 | C17 | 134.6° | 124.3° |
| C10 | N2 | C11 | C16 | 173.2° | 175.0° |
| C10 | N2 | C11 | C12 | 89.4° | 88.3° |
| C10 | N2 | C17 | C18 | 55.1° | 63.1° |
| N2 | C10 | H2 | H3 | 118.5° | 120.1° |
| C10 | N2 | C11 | H4 | 42.1° | 43.4° |
| C10 | N2 | C17 | H21 | 65.1° | 176.9° |
| C10 | N2 | C17 | H22 | 175.3° | 56.9° |
| N2 | C10 | C9 | H24 | 70.8° | 65.9° |
| N2 | C10 | C9 | H25 | 169.1° | 173.6° |
| N2 | C11 | C16 | C12 | 114.3° | 114.3° |
| N2 | C11 | C16 | H4 | 131.5° | 131.2° |
| N2 | C11 | C12 | H4 | 131.9° | 131.2° |
| N2 | C11 | C16 | N3 | 114.3° | 138.0° |
| N2 | C11 | C12 | N3 | 113.6° | 138.0° |
| C11 | N2 | C17 | C18 | 172.3° | 172.7° |
| C11 | N2 | C10 | H2 | 70.4° | 52.8° |
| C11 | N2 | C10 | H3 | 48.7° | 67.3° |
| C11 | N2 | C17 | H21 | 67.5° | 52.8° |
| C11 | N2 | C17 | H22 | 52.1° | 67.3° |
| N2 | C11 | C16 | H26 | 128.9° | 107.8° |
| N2 | C11 | C16 | H27 | 2.6° | 23.6° |
| N2 | C11 | C12 | H28 | 2.7° | 23.7° |
| N2 | C11 | C12 | H29 | 130.1° | 107.7° |
| C16 | C11 | C12 | H4 | 114.5° | 114.4° |
| C16 | C11 | N2 | C17 | 52.2° | 60.7° |
| C11 | C16 | N3 | H26 | 116.8° | 114.3° |
| C11 | C16 | N3 | H27 | 116.8° | 114.3° |
| C16 | C11 | C12 | N3 | 0.0° | 23.6° |
| C11 | C16 | N3 | C13 | 166.0° | 155.4° |
| C11 | C16 | H26 | H27 | 128.5° | 131.7° |
| C16 | C11 | C12 | H28 | 116.3° | 90.7° |
| C16 | C11 | C12 | H29 | 116.3° | 137.9° |
| C12 | C11 | N2 | C17 | 45.3° | 36.0° |
| C11 | C12 | N3 | H28 | 116.3° | 114.3° |
| C11 | C12 | N3 | H29 | 116.3° | 114.3° |
| C11 | C12 | N3 | C13 | 164.6° | 155.4° |
| C12 | C11 | C16 | H26 | 116.9° | 137.9° |
| C12 | C11 | C16 | H27 | 116.8° | 90.7° |
| C11 | C12 | H28 | H29 | 129.8° | 131.7° |
| C5 | C6 | N | C7 | 155.6° | 180.0° |
| C6 | C5 | C4 | H1 | 173.3° | 180.0° |
| C5 | C6 | N | H13 | 82.9° | 0.0° |
| C6 | C5 | O | H14 | 9.1° | 90.1° |
| C5 | C6 | C19 | H15 | 173.5° | 179.7° |
| O | C5 | C6 | N | 0.4° | 0.0° |
| O | C5 | C4 | H1 | 2.6° | 0.0° |
| N2 | C17 | C18 | N1 | 52.7° | 53.8° |
| N2 | C17 | C18 | H21 | 120.2° | 119.9° |
| N2 | C17 | C18 | H22 | 120.2° | 120.0° |
| C17 | N2 | C10 | H2 | 66.2° | 176.9° |
| C17 | N2 | C10 | H3 | 174.8° | 56.8° |
| C17 | N2 | C11 | H4 | 176.7° | 167.7° |
| N2 | C17 | C18 | H7 | 67.6° | 65.9° |
| N2 | C17 | C18 | H8 | 172.8° | 173.7° |
| N2 | C17 | H21 | H22 | 119.4° | 120.1° |
| C16 | N3 | C12 | C13 | 164.7° | 179.9° |
| C16 | N3 | C13 | O1 | 6.3° | 0.0° |
| C16 | N3 | C13 | C14 | 172.4° | 180.0° |
| N3 | C16 | C11 | H4 | 114.2° | 90.8° |
| N3 | C16 | H26 | H27 | 128.6° | 131.8° |
| C16 | N3 | C12 | H28 | 116.3° | 89.6° |
| C16 | N3 | C12 | H29 | 116.4° | 139.0° |
| C6 | N | C7 | H13 | 121.6° | 179.9° |
| C6 | N | C7 | C8 | 79.0° | 180.0° |
| C6 | N | C7 | H11 | 160.9° | 60.0° |
| C6 | N | C7 | H12 | 41.1° | 60.0° |
| N | C6 | C19 | H15 | 7.8° | 0.0° |
| C18 | N1 | C8 | C7 | 172.8° | 180.0° |
| N1 | C18 | C17 | H7 | 120.2° | 119.7° |
| N1 | C18 | C17 | H8 | 120.2° | 119.9° |
| C18 | N1 | C8 | O2 | 6.6° | 0.0° |
| N1 | C18 | H7 | H8 | 119.4° | 120.5° |
| N1 | C18 | C17 | H21 | 67.6° | 173.8° |
| N1 | C18 | C17 | H22 | 172.9° | 66.1° |
| C18 | N1 | C9 | H24 | 69.6° | 68.5° |
| C18 | N1 | C9 | H25 | 170.3° | 170.9° |
| N1 | C8 | C7 | N | 134.7° | 180.0° |
| N1 | C8 | C7 | O2 | 179.4° | 180.0° |
| C8 | N1 | C18 | C17 | 134.1° | 128.8° |
| C8 | N1 | C18 | H7 | 105.7° | 111.4° |
| C8 | N1 | C18 | H8 | 13.9° | 9.0° |
| N1 | C8 | C7 | H11 | 105.2° | 60.0° |
| N1 | C8 | C7 | H12 | 14.7° | 60.0° |
| C8 | N1 | C9 | H24 | 103.3° | 111.5° |
| C8 | N1 | C9 | H25 | 16.9° | 9.1° |
| N | C7 | C8 | H11 | 120.1° | 120.0° |
| N | C7 | C8 | H12 | 120.0° | 120.0° |
| N | C7 | C8 | O2 | 44.7° | 0.0° |
| N | C7 | H11 | H12 | 119.8° | 120.0° |
| C8 | C7 | H11 | H12 | 119.9° | 120.0° |
| C8 | C7 | N | H13 | 42.5° | 0.1° |
| C12 | N3 | C13 | O1 | 166.1° | 179.9° |
| C12 | N3 | C13 | C14 | 12.7° | 0.0° |
| N3 | C12 | C11 | H4 | 114.5° | 90.8° |
| C12 | N3 | C16 | H26 | 116.8° | 138.9° |
| C12 | N3 | C16 | H27 | 116.8° | 89.6° |
| N3 | C12 | H28 | H29 | 129.8° | 131.8° |
| N3 | C13 | O1 | C14 | 178.6° | 180.0° |
| N3 | C13 | C14 | C15 | 115.2° | 180.0° |
| N3 | C13 | C14 | H5 | 64.8° | 0.0° |
| C13 | N3 | C16 | H26 | 49.2° | 41.1° |
| C13 | N3 | C16 | H27 | 77.1° | 90.3° |
| C13 | N3 | C12 | H28 | 79.1° | 90.3° |
| C13 | N3 | C12 | H29 | 48.3° | 41.1° |
| C17 | C18 | H7 | H8 | 119.4° | 120.4° |
| C18 | C17 | H21 | H22 | 119.4° | 120.1° |
| O2 | C8 | C7 | H11 | 75.4° | 120.0° |
| O2 | C8 | C7 | H12 | 164.7° | 120.0° |
| O1 | C13 | C14 | C15 | 63.5° | 0.0° |
| O1 | C13 | C14 | H5 | 116.6° | 180.0° |
| C13 | C14 | C15 | H5 | 180.0° | 180.0° |
| C13 | C14 | C15 | H30 | 180.0° | 0.0° |
| C13 | C14 | C15 | H31 | 0.0° | 180.0° |
| C14 | C15 | H30 | H31 | 180.0° | 180.0° |
| H2 | C10 | C9 | H24 | 168.7° | 54.1° |
| H2 | C10 | C9 | H25 | 48.6° | 66.4° |
| H3 | C10 | C9 | H24 | 49.6° | 174.2° |
| H3 | C10 | C9 | H25 | 70.5° | 53.7° |
| H4 | C11 | C16 | H26 | 2.6° | 23.4° |
| H4 | C11 | C16 | H27 | 128.9° | 154.8° |
| H4 | C11 | C12 | H28 | 129.2° | 154.9° |
| H4 | C11 | C12 | H29 | 1.8° | 23.5° |
| H5 | C14 | C15 | H30 | 0.0° | 180.0° |
| H5 | C14 | C15 | H31 | 180.0° | 0.0° |
| H7 | C18 | C17 | H21 | 172.2° | 54.1° |
| H7 | C18 | C17 | H22 | 52.6° | 174.2° |
| H8 | C18 | C17 | H21 | 52.6° | 66.4° |
| H8 | C18 | C17 | H22 | 67.0° | 53.7° |
| H9 | C20 | C21 | H16 | 0.3° | 145.0° |
| H9 | C20 | C21 | H17 | 141.7° | 0.0° |
| H10 | C20 | C21 | H16 | 141.7° | 0.0° |
| H10 | C20 | C21 | H17 | 0.3° | 145.0° |
| H11 | C7 | N | H13 | 77.5° | 120.0° |
| H12 | C7 | N | H13 | 162.6° | 120.0° |
| H18 | C | H19 | H20 | 120.0° | 119.9° |
