ULW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C22 | sing | 1.34Å | 1.42Å | |
| N1 | C19 | sing | 1.34Å | 1.41Å | |
| N1 | C18 | sing | 1.47Å | 1.44Å | |
| C4 | C3 | sing | 1.51Å | 1.48Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | C3 | sing | 1.51Å | 1.50Å | |
| C6 | C7 | sing | 1.51Å | 1.50Å | |
| C7 | C8 | doub | 1.31Å | 1.36Å | |
| C8 | C10 | sing | 1.51Å | 1.49Å | |
| C8 | C9 | sing | 1.51Å | 1.50Å | |
| C13 | C15 | sing | 1.53Å | 1.49Å | |
| C13 | C12 | sing | 1.53Å | 1.35Å | |
| C13 | C14 | sing | 1.53Å | 1.49Å | |
| C17 | C16 | sing | 1.51Å | 1.51Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C20 | C21 | sing | 1.54Å | 1.52Å | |
| C20 | C19 | sing | 1.51Å | 1.53Å | |
| C21 | C22 | sing | 1.51Å | 1.52Å | |
| C22 | O5 | doub | 1.21Å | 1.23Å | |
| O4 | C19 | doub | 1.21Å | 1.23Å | |
| O3 | C16 | doub | 1.21Å | 1.23Å | |
| C1 | C2 | sing | 1.51Å | 1.49Å | |
| O2 | C16 | sing | 1.34Å | 1.38Å | |
| C3 | C2 | doub | 1.31Å | 1.35Å | |
| C9 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.49Å | |
| C1 | O2 | sing | 1.45Å | 1.68Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C4 | H43 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.08Å | 1.08Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | N1 | C19 | 112.6° | 114.5° |
| C22 | N1 | C18 | 123.5° | 122.8° |
| N1 | C22 | C21 | 107.8° | 109.2° |
| N1 | C22 | O5 | 125.4° | 125.4° |
| C19 | N1 | C18 | 123.9° | 122.7° |
| N1 | C19 | C20 | 107.7° | 109.2° |
| N1 | C19 | O4 | 125.6° | 125.4° |
| N1 | C18 | C17 | 115.1° | 109.4° |
| N1 | C18 | H182 | 108.1° | 109.5° |
| N1 | C18 | H181 | 108.1° | 109.5° |
| C4 | C3 | C5 | 117.8° | 120.1° |
| C4 | C3 | C2 | 123.7° | 120.0° |
| C3 | C4 | H42 | 109.5° | 109.5° |
| C3 | C4 | H43 | 109.5° | 109.5° |
| C3 | C4 | H41 | 109.4° | 109.4° |
| C6 | C5 | C3 | 112.1° | 109.4° |
| C5 | C6 | C7 | 112.6° | 109.5° |
| C6 | C5 | H51 | 108.8° | 109.4° |
| C6 | C5 | H52 | 108.8° | 109.4° |
| C5 | C6 | H61 | 108.7° | 109.5° |
| C5 | C6 | H62 | 108.7° | 109.5° |
| C5 | C3 | C2 | 118.5° | 120.0° |
| C3 | C5 | H51 | 108.8° | 109.5° |
| C3 | C5 | H52 | 108.8° | 109.5° |
| C6 | C7 | C8 | 125.8° | 120.0° |
| C7 | C6 | H61 | 108.7° | 109.5° |
| C7 | C6 | H62 | 108.7° | 109.5° |
| C6 | C7 | H7 | 117.1° | 120.0° |
| C7 | C8 | C10 | 119.4° | 120.0° |
| C7 | C8 | C9 | 121.6° | 120.0° |
| C8 | C7 | H7 | 117.1° | 120.0° |
| C10 | C8 | C9 | 119.0° | 120.0° |
| C8 | C10 | H102 | 109.5° | 109.5° |
| C8 | C10 | H103 | 109.5° | 109.5° |
| C8 | C10 | H101 | 109.5° | 109.5° |
| C8 | C9 | C11 | 111.5° | 109.5° |
| C8 | C9 | H92 | 109.0° | 109.5° |
| C8 | C9 | H91 | 109.0° | 109.5° |
| C15 | C13 | C12 | 120.7° | 109.4° |
| C15 | C13 | C14 | 120.1° | 109.5° |
| C15 | C13 | H1 | 90.4° | 109.4° |
| C13 | C15 | H153 | 109.5° | 109.5° |
| C13 | C15 | H151 | 109.5° | 109.4° |
| C13 | C15 | H152 | 109.5° | 109.4° |
| C12 | C13 | C14 | 119.2° | 109.5° |
| C13 | C12 | C11 | 125.3° | 109.4° |
| C12 | C13 | H1 | 90.4° | 109.5° |
| C13 | C12 | H121 | 105.4° | 109.5° |
| C13 | C12 | H3 | 105.4° | 109.5° |
| C14 | C13 | H1 | 90.4° | 109.5° |
| C13 | C14 | H141 | 109.5° | 109.4° |
| C13 | C14 | H142 | 109.5° | 109.5° |
| C13 | C14 | H143 | 109.5° | 109.5° |
| C16 | C17 | C18 | 108.5° | 109.5° |
| C17 | C16 | O3 | 125.7° | 120.0° |
| C17 | C16 | O2 | 115.3° | 120.0° |
| C16 | C17 | H171 | 109.7° | 109.5° |
| C16 | C17 | H172 | 109.7° | 109.4° |
| C18 | C17 | H171 | 109.7° | 109.4° |
| C18 | C17 | H172 | 109.7° | 109.5° |
| C17 | C18 | H182 | 108.0° | 109.5° |
| C17 | C18 | H181 | 108.0° | 109.4° |
| C21 | C20 | C19 | 105.9° | 103.6° |
| C20 | C21 | C22 | 105.6° | 103.6° |
| C21 | C20 | H2 | 110.3° | 110.7° |
| C21 | C20 | H201 | 110.3° | 110.6° |
| C20 | C21 | H212 | 110.4° | 110.7° |
| C20 | C21 | H211 | 110.4° | 110.6° |
| C20 | C19 | O4 | 126.7° | 125.4° |
| C19 | C20 | H2 | 110.4° | 110.5° |
| C19 | C20 | H201 | 110.4° | 110.6° |
| C21 | C22 | O5 | 126.8° | 125.4° |
| C22 | C21 | H212 | 110.4° | 110.6° |
| C22 | C21 | H211 | 110.4° | 110.6° |
| O3 | C16 | O2 | 118.8° | 120.0° |
| C1 | C2 | C3 | 124.3° | 120.0° |
| C2 | C1 | O2 | 109.9° | 109.5° |
| C2 | C1 | H12 | 109.4° | 109.5° |
| C2 | C1 | H11 | 109.4° | 109.5° |
| C1 | C2 | H21 | 117.8° | 120.0° |
| C16 | O2 | C1 | 120.0° | 117.0° |
| C3 | C2 | H21 | 117.8° | 120.0° |
| C9 | C11 | C12 | 111.7° | 109.5° |
| C11 | C9 | H92 | 109.0° | 109.4° |
| C11 | C9 | H91 | 108.9° | 109.5° |
| C9 | C11 | H111 | 108.9° | 109.4° |
| C9 | C11 | H112 | 108.9° | 109.5° |
| C12 | C11 | H111 | 108.9° | 109.5° |
| C12 | C11 | H112 | 108.9° | 109.5° |
| C11 | C12 | H121 | 105.4° | 109.5° |
| C11 | C12 | H3 | 105.4° | 109.4° |
| O2 | C1 | H12 | 109.4° | 109.5° |
| O2 | C1 | H11 | 109.4° | 109.4° |
| H42 | C4 | H43 | 109.5° | 109.5° |
| H42 | C4 | H41 | 109.5° | 109.5° |
| H43 | C4 | H41 | 109.5° | 109.4° |
| H51 | C5 | H52 | 109.5° | 109.5° |
| H61 | C6 | H62 | 109.5° | 109.4° |
| H102 | C10 | H103 | 109.5° | 109.5° |
| H102 | C10 | H101 | 109.5° | 109.4° |
| H103 | C10 | H101 | 109.4° | 109.4° |
| H153 | C15 | H151 | 109.5° | 109.5° |
| H153 | C15 | H152 | 109.4° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H171 | C17 | H172 | 109.5° | 109.5° |
| H2 | C20 | H201 | 109.5° | 110.6° |
| H212 | C21 | H211 | 109.5° | 110.7° |
| H12 | C1 | H11 | 109.5° | 109.5° |
| H182 | C18 | H181 | 109.5° | 109.5° |
| H92 | C9 | H91 | 109.4° | 109.4° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H121 | C12 | H3 | 109.4° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.4° |
| H141 | C14 | H143 | 109.5° | 109.6° |
| H142 | C14 | H143 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | N1 | C19 | C18 | 179.3° | 179.7° |
| C22 | N1 | C18 | C17 | 90.2° | 90.0° |
| N1 | C22 | C21 | C20 | 3.3° | 0.0° |
| C22 | N1 | C19 | C20 | 4.7° | 0.0° |
| N1 | C22 | C21 | O5 | 179.2° | 180.0° |
| C22 | N1 | C19 | O4 | 174.4° | 180.0° |
| N1 | C22 | C21 | H212 | 122.6° | 118.6° |
| N1 | C22 | C21 | H211 | 116.1° | 118.5° |
| C22 | N1 | C18 | H182 | 149.0° | 150.0° |
| C22 | N1 | C18 | H181 | 30.6° | 29.9° |
| C19 | N1 | C18 | C17 | 90.5° | 90.3° |
| N1 | C19 | C20 | C21 | 6.6° | 0.0° |
| N1 | C19 | C20 | O4 | 179.1° | 179.9° |
| C19 | N1 | C22 | C21 | 0.9° | 0.0° |
| C19 | N1 | C22 | O5 | 179.9° | 179.9° |
| N1 | C19 | C20 | H2 | 126.0° | 118.6° |
| N1 | C19 | C20 | H201 | 112.9° | 118.5° |
| C19 | N1 | C18 | H182 | 30.3° | 29.7° |
| C19 | N1 | C18 | H181 | 148.7° | 149.8° |
| N1 | C18 | C17 | C16 | 171.3° | 180.0° |
| N1 | C18 | C17 | H182 | 120.8° | 120.0° |
| N1 | C18 | C17 | H181 | 120.8° | 119.9° |
| C18 | N1 | C19 | C20 | 174.6° | 179.7° |
| C18 | N1 | C22 | C21 | 178.4° | 179.7° |
| C18 | N1 | C22 | O5 | 0.8° | 0.3° |
| C18 | N1 | C19 | O4 | 6.3° | 0.2° |
| N1 | C18 | C17 | H171 | 68.8° | 60.1° |
| N1 | C18 | C17 | H172 | 51.5° | 60.0° |
| N1 | C18 | H182 | H181 | 117.5° | 120.0° |
| C4 | C3 | C5 | C6 | 91.7° | 87.0° |
| C4 | C3 | C5 | C2 | 179.4° | 179.9° |
| C4 | C3 | C2 | C1 | 178.4° | 175.7° |
| C3 | C4 | H42 | H43 | 120.0° | 120.1° |
| C3 | C4 | H42 | H41 | 120.0° | 119.9° |
| C3 | C4 | H43 | H41 | 120.0° | 119.9° |
| C4 | C3 | C5 | H51 | 28.7° | 33.0° |
| C4 | C3 | C5 | H52 | 147.9° | 153.1° |
| C4 | C3 | C2 | H21 | 1.6° | 4.2° |
| C6 | C5 | C3 | H51 | 120.4° | 120.0° |
| C6 | C5 | C3 | H52 | 120.4° | 120.0° |
| C5 | C6 | C7 | H61 | 120.5° | 120.0° |
| C5 | C6 | C7 | H62 | 120.5° | 120.0° |
| C5 | C6 | C7 | C8 | 72.0° | 117.0° |
| C6 | C5 | C3 | C2 | 88.9° | 93.1° |
| C6 | C5 | H51 | H52 | 118.8° | 120.0° |
| C5 | C6 | H61 | H62 | 118.6° | 120.0° |
| C5 | C6 | C7 | H7 | 108.0° | 63.0° |
| C3 | C5 | C6 | C7 | 85.0° | 180.0° |
| C5 | C3 | C2 | C1 | 0.9° | 4.4° |
| C5 | C3 | C4 | H42 | 180.0° | 89.9° |
| C5 | C3 | C4 | H43 | 60.0° | 150.0° |
| C5 | C3 | C4 | H41 | 60.0° | 30.1° |
| C3 | C5 | H51 | H52 | 118.8° | 120.1° |
| C3 | C5 | C6 | H61 | 35.5° | 60.0° |
| C3 | C5 | C6 | H62 | 154.6° | 60.0° |
| C5 | C3 | C2 | H21 | 179.1° | 175.7° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C10 | 167.3° | 173.6° |
| C6 | C7 | C8 | C9 | 12.5° | 6.4° |
| C7 | C6 | C5 | H51 | 35.4° | 60.0° |
| C7 | C6 | C5 | H52 | 154.6° | 60.0° |
| C7 | C6 | H61 | H62 | 118.6° | 120.0° |
| C7 | C8 | C10 | C9 | 179.8° | 180.0° |
| C7 | C8 | C9 | C11 | 78.5° | 92.5° |
| C8 | C7 | C6 | H61 | 167.5° | 3.0° |
| C8 | C7 | C6 | H62 | 48.4° | 122.9° |
| C7 | C8 | C10 | H102 | 180.0° | 89.9° |
| C7 | C8 | C10 | H103 | 60.0° | 150.0° |
| C7 | C8 | C10 | H101 | 60.0° | 30.0° |
| C7 | C8 | C9 | H92 | 41.9° | 147.5° |
| C7 | C8 | C9 | H91 | 161.2° | 27.5° |
| C10 | C8 | C9 | C11 | 101.7° | 87.5° |
| C10 | C8 | C7 | H7 | 12.6° | 6.3° |
| C8 | C10 | H102 | H103 | 120.0° | 120.1° |
| C8 | C10 | H102 | H101 | 120.0° | 120.0° |
| C8 | C10 | H103 | H101 | 120.0° | 120.0° |
| C10 | C8 | C9 | H92 | 138.0° | 32.5° |
| C10 | C8 | C9 | H91 | 18.6° | 152.4° |
| C8 | C9 | C11 | H92 | 120.3° | 120.0° |
| C8 | C9 | C11 | H91 | 120.3° | 120.1° |
| C8 | C9 | C11 | C12 | 177.2° | 180.0° |
| C9 | C8 | C7 | H7 | 167.5° | 173.6° |
| C9 | C8 | C10 | H102 | 0.2° | 90.0° |
| C9 | C8 | C10 | H103 | 119.8° | 30.0° |
| C9 | C8 | C10 | H101 | 120.2° | 150.0° |
| C8 | C9 | H92 | H91 | 119.1° | 120.0° |
| C8 | C9 | C11 | H111 | 56.9° | 60.0° |
| C8 | C9 | C11 | H112 | 62.5° | 60.0° |
| C15 | C13 | C12 | C14 | 178.6° | 120.0° |
| C15 | C13 | C12 | H1 | 90.7° | 120.0° |
| C15 | C13 | C14 | H1 | 90.7° | 120.0° |
| C15 | C13 | C12 | C11 | 38.7° | 175.0° |
| C13 | C15 | H153 | H151 | 120.0° | 120.0° |
| C13 | C15 | H153 | H152 | 120.0° | 120.0° |
| C13 | C15 | H151 | H152 | 120.0° | 119.9° |
| C15 | C13 | C12 | H121 | 160.8° | 55.0° |
| C15 | C13 | C12 | H3 | 83.4° | 65.0° |
| C15 | C13 | C14 | H141 | 180.0° | 60.1° |
| C15 | C13 | C14 | H142 | 60.0° | 180.0° |
| C15 | C13 | C14 | H143 | 60.0° | 60.0° |
| C12 | C13 | C14 | H1 | 90.7° | 120.1° |
| C13 | C12 | C11 | C9 | 76.1° | 180.0° |
| C13 | C12 | C11 | H121 | 122.1° | 120.0° |
| C13 | C12 | C11 | H3 | 122.1° | 120.0° |
| C12 | C13 | C15 | H153 | 180.0° | 60.0° |
| C12 | C13 | C15 | H151 | 60.0° | 180.0° |
| C12 | C13 | C15 | H152 | 60.0° | 60.0° |
| C13 | C12 | C11 | H111 | 163.6° | 60.0° |
| C13 | C12 | C11 | H112 | 44.3° | 60.0° |
| C13 | C12 | H121 | H3 | 112.9° | 120.1° |
| C12 | C13 | C14 | H141 | 1.4° | 180.0° |
| C12 | C13 | C14 | H142 | 121.4° | 60.0° |
| C12 | C13 | C14 | H143 | 118.6° | 60.0° |
| C14 | C13 | C12 | C11 | 142.7° | 65.0° |
| C14 | C13 | C15 | H153 | 1.4° | 180.0° |
| C14 | C13 | C15 | H151 | 121.4° | 60.0° |
| C14 | C13 | C15 | H152 | 118.6° | 60.0° |
| C14 | C13 | C12 | H121 | 20.6° | 175.0° |
| C14 | C13 | C12 | H3 | 95.1° | 54.9° |
| C13 | C14 | H141 | H142 | 120.0° | 119.9° |
| C13 | C14 | H141 | H143 | 120.0° | 120.0° |
| C13 | C14 | H142 | H143 | 120.0° | 120.0° |
| C16 | C17 | C18 | H171 | 119.9° | 120.0° |
| C16 | C17 | C18 | H172 | 119.8° | 120.0° |
| C17 | C16 | O3 | O2 | 175.8° | 180.0° |
| C17 | C16 | O2 | C1 | 35.1° | 180.0° |
| C16 | C17 | H171 | H172 | 120.4° | 120.0° |
| C16 | C17 | C18 | H182 | 67.9° | 60.0° |
| C16 | C17 | C18 | H181 | 50.5° | 60.0° |
| C18 | C17 | C16 | O3 | 72.4° | 0.0° |
| C18 | C17 | C16 | O2 | 103.5° | 180.0° |
| C18 | C17 | H171 | H172 | 120.4° | 120.1° |
| C17 | C18 | H182 | H181 | 117.4° | 120.0° |
| C21 | C20 | C19 | H2 | 119.4° | 118.6° |
| C21 | C20 | C19 | H201 | 119.4° | 118.5° |
| C20 | C21 | C22 | H212 | 119.4° | 118.6° |
| C20 | C21 | C22 | H211 | 119.4° | 118.5° |
| C20 | C21 | C22 | O5 | 175.9° | 180.0° |
| C21 | C20 | C19 | O4 | 172.6° | 180.0° |
| C21 | C20 | H2 | H201 | 121.6° | 122.9° |
| C20 | C21 | H212 | H211 | 121.8° | 123.0° |
| C19 | C20 | C21 | C22 | 5.9° | 0.0° |
| C19 | C20 | H2 | H201 | 121.7° | 122.9° |
| C19 | C20 | C21 | H212 | 125.3° | 118.5° |
| C19 | C20 | C21 | H211 | 113.5° | 118.5° |
| C22 | C21 | C20 | H2 | 125.3° | 118.5° |
| C22 | C21 | C20 | H201 | 113.6° | 118.5° |
| C22 | C21 | H212 | H211 | 121.8° | 122.9° |
| O5 | C22 | C21 | H212 | 56.6° | 61.5° |
| O5 | C22 | C21 | H211 | 64.7° | 61.4° |
| O4 | C19 | C20 | H2 | 53.2° | 61.5° |
| O4 | C19 | C20 | H201 | 68.0° | 61.4° |
| O3 | C16 | O2 | C1 | 148.7° | 0.0° |
| O3 | C16 | C17 | H171 | 47.4° | 120.0° |
| O3 | C16 | C17 | H172 | 167.7° | 120.0° |
| C2 | C1 | O2 | C16 | 96.9° | 180.0° |
| C1 | C2 | C3 | H21 | 180.0° | 179.9° |
| C2 | C1 | O2 | H12 | 120.1° | 120.0° |
| C2 | C1 | O2 | H11 | 120.1° | 120.0° |
| C2 | C1 | H12 | H11 | 119.8° | 120.0° |
| O2 | C16 | C17 | H171 | 136.6° | 60.0° |
| O2 | C16 | C17 | H172 | 16.3° | 60.0° |
| C16 | O2 | C1 | H12 | 143.1° | 60.0° |
| C16 | O2 | C1 | H11 | 23.2° | 60.0° |
| C3 | C2 | C1 | O2 | 172.1° | 134.8° |
| C2 | C3 | C4 | H42 | 0.7° | 90.0° |
| C2 | C3 | C4 | H43 | 120.7° | 30.1° |
| C2 | C3 | C4 | H41 | 119.3° | 150.0° |
| C2 | C3 | C5 | H51 | 150.7° | 146.9° |
| C2 | C3 | C5 | H52 | 31.5° | 26.8° |
| C3 | C2 | C1 | H12 | 67.9° | 14.8° |
| C3 | C2 | C1 | H11 | 52.0° | 105.2° |
| C9 | C11 | C12 | H111 | 120.3° | 120.0° |
| C9 | C11 | C12 | H112 | 120.3° | 120.0° |
| C11 | C9 | H92 | H91 | 119.0° | 120.0° |
| C9 | C11 | H111 | H112 | 119.0° | 120.0° |
| C9 | C11 | C12 | H121 | 161.8° | 60.0° |
| C9 | C11 | C12 | H3 | 46.1° | 60.0° |
| C11 | C12 | C13 | H1 | 52.0° | 55.1° |
| C12 | C11 | C9 | H92 | 62.5° | 60.0° |
| C12 | C11 | C9 | H91 | 56.9° | 59.9° |
| C12 | C11 | H111 | H112 | 119.0° | 120.0° |
| C11 | C12 | H121 | H3 | 112.9° | 120.0° |
| O2 | C1 | H12 | H11 | 119.8° | 120.0° |
| O2 | C1 | C2 | H21 | 7.9° | 45.1° |
| H42 | C4 | H43 | H41 | 120.0° | 120.0° |
| H51 | C5 | C6 | H61 | 155.9° | 60.0° |
| H51 | C5 | C6 | H62 | 85.1° | 180.0° |
| H52 | C5 | C6 | H61 | 84.9° | 179.9° |
| H52 | C5 | C6 | H62 | 34.1° | 60.0° |
| H61 | C6 | C7 | H7 | 12.5° | 177.0° |
| H62 | C6 | C7 | H7 | 131.6° | 57.0° |
| H102 | C10 | H103 | H101 | 120.0° | 119.9° |
| H1 | C13 | C15 | H153 | 89.3° | 60.0° |
| H1 | C13 | C15 | H151 | 30.7° | 60.0° |
| H1 | C13 | C15 | H152 | 150.8° | 180.0° |
| H1 | C13 | C12 | H121 | 70.1° | 64.9° |
| H1 | C13 | C12 | H3 | 174.2° | 175.0° |
| H1 | C13 | C14 | H141 | 89.3° | 59.9° |
| H1 | C13 | C14 | H142 | 30.7° | 60.0° |
| H1 | C13 | C14 | H143 | 150.7° | 180.0° |
| H153 | C15 | H151 | H152 | 120.0° | 120.1° |
| H171 | C17 | C18 | H182 | 52.0° | 59.9° |
| H171 | C17 | C18 | H181 | 170.4° | 180.0° |
| H172 | C17 | C18 | H182 | 172.3° | 180.0° |
| H172 | C17 | C18 | H181 | 69.4° | 59.9° |
| H2 | C20 | C21 | H212 | 115.3° | 123.0° |
| H2 | C20 | C21 | H211 | 5.9° | 0.0° |
| H201 | C20 | C21 | H212 | 5.8° | 0.0° |
| H201 | C20 | C21 | H211 | 127.1° | 123.0° |
| H12 | C1 | C2 | H21 | 112.1° | 165.1° |
| H11 | C1 | C2 | H21 | 128.0° | 74.9° |
| H92 | C9 | C11 | H111 | 177.2° | 180.0° |
| H92 | C9 | C11 | H112 | 57.9° | 60.0° |
| H91 | C9 | C11 | H111 | 63.4° | 60.1° |
| H91 | C9 | C11 | H112 | 177.2° | 179.9° |
| H111 | C11 | C12 | H121 | 41.5° | 60.0° |
| H111 | C11 | C12 | H3 | 74.2° | 180.0° |
| H112 | C11 | C12 | H121 | 77.9° | 180.0° |
| H112 | C11 | C12 | H3 | 166.4° | 60.0° |
| H141 | C14 | H142 | H143 | 120.0° | 120.1° |
