HU2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C1 | O13 | doub | 1.21Å | 1.24Å | |
| C1 | N14 | sing | 1.35Å | 1.33Å | |
| C2 | C10 | sing | 1.53Å | 1.54Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.51Å | 1.47Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | doub | 1.31Å | 1.38Å | |
| C4 | H41A | sing | 1.08Å | 1.08Å | |
| C5 | C6 | sing | 1.51Å | 1.45Å | |
| C5 | H51 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | C9 | sing | 1.53Å | 1.51Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C8 | H83 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C9 | H93 | sing | 1.09Å | 1.10Å | |
| C10 | C12 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| N14 | C15 | sing | 1.46Å | 1.45Å | |
| N14 | HN14 | sing | 0.97Å | 1.00Å | |
| C15 | C20 | sing | 1.51Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | C19 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C20 | O21 | doub | 1.21Å | 1.24Å | |
| C20 | N22 | sing | 1.35Å | 1.33Å | |
| N22 | C23 | sing | 1.47Å | 1.46Å | |
| N22 | HN22 | sing | 0.97Å | 1.00Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C23 | C28 | sing | 1.51Å | 1.54Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | sing | 1.53Å | 1.50Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| O27 | C28 | doub | 1.21Å | 1.44Å | |
| C28 | C34 | sing | 1.49Å | 1.53Å | |
| O29 | C34 | doub | 1.21Å | 1.23Å | |
| N30 | C31 | sing | 1.46Å | 1.45Å | |
| N30 | C34 | sing | 1.35Å | 1.33Å | |
| N30 | HN30 | sing | 0.97Å | 1.00Å | |
| C31 | C32 | sing | 1.51Å | 1.51Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | O33 | doub | 1.21Å | 1.23Å | |
| C32 | N35 | sing | 1.35Å | 1.33Å | |
| N35 | C36 | sing | 1.46Å | 1.45Å | |
| N35 | HN35 | sing | 0.97Å | 1.00Å | |
| C36 | C37 | sing | 1.51Å | 1.53Å | |
| C36 | C43 | sing | 1.51Å | 1.53Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C37 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C37 | C39 | doub | 1.38Å | 1.39Å | Aromatic |
| C38 | C40 | doub | 1.38Å | 1.40Å | Aromatic |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C39 | C41 | sing | 1.38Å | 1.38Å | Aromatic |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| C40 | C42 | sing | 1.38Å | 1.40Å | Aromatic |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C41 | C42 | doub | 1.38Å | 1.39Å | Aromatic |
| C41 | H41 | sing | 1.08Å | 1.08Å | |
| C42 | H42 | sing | 1.08Å | 1.08Å | |
| C43 | O45 | doub | 1.21Å | 1.23Å | |
| C43 | O44 | sing | 1.34Å | 1.24Å | |
| O44 | HO44 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O13 | 121.1° | 120.0° |
| C2 | C1 | N14 | 115.6° | 120.0° |
| C1 | C2 | C10 | 107.3° | 109.5° |
| C1 | C2 | C3 | 111.7° | 109.5° |
| C1 | C2 | H2 | 109.4° | 109.5° |
| O13 | C1 | N14 | 123.2° | 120.0° |
| C1 | N14 | C15 | 121.3° | 120.0° |
| C1 | N14 | HN14 | 119.4° | 120.0° |
| C10 | C2 | C3 | 110.0° | 109.5° |
| C10 | C2 | H2 | 109.2° | 109.5° |
| C2 | C10 | C12 | 110.7° | 109.4° |
| C2 | C10 | C11 | 110.9° | 109.5° |
| C2 | C10 | H10 | 107.8° | 109.4° |
| C3 | C2 | H2 | 109.2° | 109.5° |
| C2 | C3 | C4 | 115.6° | 109.5° |
| C2 | C3 | H31 | 107.9° | 109.5° |
| C2 | C3 | H32 | 107.9° | 109.5° |
| C4 | C3 | H31 | 107.9° | 109.5° |
| C4 | C3 | H32 | 107.9° | 109.5° |
| C3 | C4 | C5 | 115.7° | 120.0° |
| C3 | C4 | H41A | 122.1° | 120.0° |
| H31 | C3 | H32 | 109.5° | 109.5° |
| C5 | C4 | H41A | 122.1° | 120.0° |
| C4 | C5 | C6 | 123.5° | 120.0° |
| C4 | C5 | H51 | 118.2° | 120.0° |
| C6 | C5 | H51 | 118.2° | 120.0° |
| C5 | C6 | C7 | 109.4° | 109.5° |
| C5 | C6 | H61 | 109.5° | 109.5° |
| C5 | C6 | H62 | 109.5° | 109.5° |
| C7 | C6 | H61 | 109.5° | 109.4° |
| C7 | C6 | H62 | 109.5° | 109.5° |
| C6 | C7 | C8 | 112.3° | 109.5° |
| C6 | C7 | C9 | 109.2° | 109.5° |
| C6 | C7 | H7 | 108.2° | 109.5° |
| H61 | C6 | H62 | 109.5° | 109.5° |
| C8 | C7 | C9 | 110.4° | 109.4° |
| C8 | C7 | H7 | 108.2° | 109.4° |
| C7 | C8 | H81 | 109.5° | 109.5° |
| C7 | C8 | H82 | 109.4° | 109.5° |
| C7 | C8 | H83 | 109.5° | 109.4° |
| C9 | C7 | H7 | 108.5° | 109.5° |
| C7 | C9 | H91 | 109.5° | 109.4° |
| C7 | C9 | H92 | 109.5° | 109.5° |
| C7 | C9 | H93 | 109.5° | 109.5° |
| H81 | C8 | H82 | 109.5° | 109.5° |
| H81 | C8 | H83 | 109.5° | 109.5° |
| H82 | C8 | H83 | 109.5° | 109.4° |
| H91 | C9 | H92 | 109.5° | 109.5° |
| H91 | C9 | H93 | 109.4° | 109.4° |
| H92 | C9 | H93 | 109.5° | 109.5° |
| C12 | C10 | C11 | 111.1° | 109.5° |
| C12 | C10 | H10 | 108.2° | 109.5° |
| C10 | C12 | H121 | 109.5° | 109.5° |
| C10 | C12 | H122 | 109.5° | 109.4° |
| C10 | C12 | H123 | 109.5° | 109.5° |
| C11 | C10 | H10 | 108.0° | 109.5° |
| C10 | C11 | H111 | 109.5° | 109.5° |
| C10 | C11 | H112 | 109.4° | 109.5° |
| C10 | C11 | H113 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.4° | 109.5° |
| H111 | C11 | H113 | 109.5° | 109.5° |
| H112 | C11 | H113 | 109.5° | 109.4° |
| H121 | C12 | H122 | 109.4° | 109.4° |
| H121 | C12 | H123 | 109.5° | 109.5° |
| H122 | C12 | H123 | 109.5° | 109.5° |
| C15 | N14 | HN14 | 119.4° | 120.0° |
| N14 | C15 | C20 | 108.3° | 109.5° |
| N14 | C15 | C16 | 110.5° | 109.5° |
| N14 | C15 | H15 | 109.8° | 109.4° |
| C20 | C15 | C16 | 110.7° | 109.5° |
| C20 | C15 | H15 | 108.8° | 109.5° |
| C15 | C20 | O21 | 121.0° | 120.0° |
| C15 | C20 | N22 | 116.2° | 120.0° |
| C16 | C15 | H15 | 108.7° | 109.4° |
| C15 | C16 | C17 | 115.9° | 109.5° |
| C15 | C16 | H161 | 107.8° | 109.5° |
| C15 | C16 | H162 | 107.8° | 109.5° |
| C17 | C16 | H161 | 107.8° | 109.4° |
| C17 | C16 | H162 | 107.9° | 109.4° |
| C16 | C17 | C19 | 110.4° | 109.5° |
| C16 | C17 | C18 | 109.3° | 109.5° |
| C16 | C17 | H17 | 108.9° | 109.4° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| C19 | C17 | C18 | 110.2° | 109.5° |
| C19 | C17 | H17 | 108.9° | 109.5° |
| C17 | C19 | H191 | 109.5° | 109.5° |
| C17 | C19 | H192 | 109.5° | 109.5° |
| C17 | C19 | H193 | 109.5° | 109.5° |
| C18 | C17 | H17 | 109.1° | 109.5° |
| C17 | C18 | H181 | 109.5° | 109.5° |
| C17 | C18 | H182 | 109.5° | 109.6° |
| C17 | C18 | H183 | 109.5° | 109.4° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H181 | C18 | H183 | 109.4° | 109.4° |
| H182 | C18 | H183 | 109.4° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H191 | C19 | H193 | 109.4° | 109.4° |
| H192 | C19 | H193 | 109.5° | 109.5° |
| O21 | C20 | N22 | 122.8° | 120.0° |
| C20 | N22 | C23 | 121.2° | 120.0° |
| C20 | N22 | HN22 | 119.4° | 120.0° |
| C23 | N22 | HN22 | 119.4° | 120.0° |
| N22 | C23 | C24 | 110.9° | 109.5° |
| N22 | C23 | C28 | 114.0° | 109.4° |
| N22 | C23 | H23 | 101.0° | 109.4° |
| C24 | C23 | C28 | 125.0° | 109.5° |
| C24 | C23 | H23 | 100.5° | 109.5° |
| C23 | C24 | C25 | 114.4° | 109.5° |
| C23 | C24 | H241 | 108.2° | 109.5° |
| C23 | C24 | H242 | 108.2° | 109.5° |
| C28 | C23 | H23 | 100.4° | 109.5° |
| C23 | C28 | O27 | 112.9° | 120.0° |
| C23 | C28 | C34 | 106.4° | 120.0° |
| C25 | C24 | H241 | 108.2° | 109.5° |
| C25 | C24 | H242 | 108.2° | 109.4° |
| C24 | C25 | C26 | 109.4° | 109.5° |
| C24 | C25 | H251 | 109.5° | 109.5° |
| C24 | C25 | H252 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.4° | 109.5° |
| C26 | C25 | H251 | 109.5° | 109.5° |
| C26 | C25 | H252 | 109.5° | 109.4° |
| C25 | C26 | H261 | 109.5° | 109.5° |
| C25 | C26 | H262 | 109.5° | 109.5° |
| C25 | C26 | H263 | 109.5° | 109.4° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H261 | C26 | H262 | 109.4° | 109.5° |
| H261 | C26 | H263 | 109.5° | 109.5° |
| H262 | C26 | H263 | 109.5° | 109.5° |
| O27 | C28 | C34 | 105.2° | 120.0° |
| C28 | C34 | O29 | 118.5° | 120.0° |
| C28 | C34 | N30 | 118.6° | 120.0° |
| O29 | C34 | N30 | 122.9° | 120.0° |
| C31 | N30 | C34 | 123.4° | 120.0° |
| C31 | N30 | HN30 | 118.3° | 120.0° |
| N30 | C31 | C32 | 108.8° | 109.5° |
| N30 | C31 | H311 | 109.6° | 109.5° |
| N30 | C31 | H312 | 109.6° | 109.5° |
| C34 | N30 | HN30 | 118.3° | 120.0° |
| C32 | C31 | H311 | 109.6° | 109.5° |
| C32 | C31 | H312 | 109.6° | 109.5° |
| C31 | C32 | O33 | 121.3° | 120.0° |
| C31 | C32 | N35 | 115.2° | 120.0° |
| H311 | C31 | H312 | 109.5° | 109.4° |
| O33 | C32 | N35 | 123.5° | 120.0° |
| C32 | N35 | C36 | 123.1° | 120.0° |
| C32 | N35 | HN35 | 118.4° | 120.0° |
| C36 | N35 | HN35 | 118.4° | 119.9° |
| N35 | C36 | C37 | 117.0° | 109.5° |
| N35 | C36 | C43 | 108.0° | 109.5° |
| N35 | C36 | H36 | 108.0° | 109.4° |
| C37 | C36 | C43 | 109.1° | 109.5° |
| C37 | C36 | H36 | 107.1° | 109.4° |
| C36 | C37 | C38 | 119.7° | 120.0° |
| C36 | C37 | C39 | 120.5° | 120.0° |
| C43 | C36 | H36 | 107.2° | 109.5° |
| C36 | C43 | O45 | 120.7° | 119.9° |
| C36 | C43 | O44 | 120.5° | 120.0° |
| C38 | C37 | C39 | 119.9° | 120.0° |
| C37 | C38 | C40 | 118.6° | 120.0° |
| C37 | C38 | H38 | 120.7° | 120.0° |
| C37 | C39 | C41 | 122.2° | 120.1° |
| C37 | C39 | H39 | 118.9° | 120.0° |
| C40 | C38 | H38 | 120.7° | 120.0° |
| C38 | C40 | C42 | 120.8° | 120.0° |
| C38 | C40 | H40 | 119.6° | 120.0° |
| C41 | C39 | H39 | 118.9° | 120.0° |
| C39 | C41 | C42 | 118.3° | 120.0° |
| C39 | C41 | H41 | 120.9° | 120.1° |
| C42 | C40 | H40 | 119.6° | 120.0° |
| C40 | C42 | C41 | 120.2° | 120.0° |
| C40 | C42 | H42 | 119.9° | 120.0° |
| C42 | C41 | H41 | 120.8° | 120.0° |
| C41 | C42 | H42 | 119.9° | 119.9° |
| O45 | C43 | O44 | 118.7° | 120.1° |
| C43 | O44 | HO44 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O13 | N14 | 179.4° | 179.8° |
| C1 | C2 | C10 | C3 | 121.8° | 120.0° |
| C1 | C2 | C10 | H2 | 118.4° | 120.0° |
| C1 | C2 | C3 | H2 | 121.1° | 120.0° |
| C1 | C2 | C3 | C4 | 60.9° | 175.4° |
| C1 | C2 | C3 | H31 | 60.0° | 55.4° |
| C1 | C2 | C3 | H32 | 178.2° | 64.5° |
| C1 | C2 | C10 | C12 | 176.1° | 66.1° |
| C1 | C2 | C10 | C11 | 52.2° | 53.9° |
| C1 | C2 | C10 | H10 | 65.8° | 173.9° |
| C2 | C1 | N14 | C15 | 179.4° | 174.2° |
| C2 | C1 | N14 | HN14 | 0.6° | 5.8° |
| O13 | C1 | C2 | C10 | 55.7° | 99.6° |
| O13 | C1 | C2 | C3 | 65.0° | 20.4° |
| O13 | C1 | C2 | H2 | 174.0° | 140.4° |
| O13 | C1 | N14 | C15 | 0.1° | 5.6° |
| O13 | C1 | N14 | HN14 | 179.9° | 174.4° |
| N14 | C1 | C2 | C10 | 123.8° | 80.6° |
| N14 | C1 | C2 | C3 | 115.6° | 159.4° |
| N14 | C1 | C2 | H2 | 5.5° | 39.3° |
| C1 | N14 | C15 | HN14 | 180.0° | 180.0° |
| C1 | N14 | C15 | C20 | 71.9° | 155.0° |
| C1 | N14 | C15 | C16 | 166.8° | 85.0° |
| C1 | N14 | C15 | H15 | 46.8° | 35.0° |
| C10 | C2 | C3 | H2 | 119.8° | 120.0° |
| C10 | C2 | C3 | C4 | 180.0° | 64.6° |
| C10 | C2 | C3 | H31 | 59.1° | 175.4° |
| C10 | C2 | C3 | H32 | 59.1° | 55.4° |
| C2 | C10 | C12 | C11 | 123.7° | 120.0° |
| C2 | C10 | C12 | H10 | 117.9° | 119.9° |
| C2 | C10 | C11 | H10 | 118.0° | 119.9° |
| C2 | C10 | C11 | H111 | 180.0° | 64.9° |
| C2 | C10 | C11 | H112 | 60.0° | 175.1° |
| C2 | C10 | C11 | H113 | 60.0° | 55.1° |
| C2 | C10 | C12 | H121 | 180.0° | 59.0° |
| C2 | C10 | C12 | H122 | 60.0° | 179.0° |
| C2 | C10 | C12 | H123 | 60.0° | 61.0° |
| C2 | C3 | C4 | H31 | 120.9° | 120.0° |
| C2 | C3 | C4 | H32 | 120.9° | 120.0° |
| C2 | C3 | H31 | H32 | 117.2° | 120.0° |
| C2 | C3 | C4 | C5 | 143.1° | 125.5° |
| C2 | C3 | C4 | H41A | 36.9° | 54.5° |
| C3 | C2 | C10 | C12 | 62.2° | 173.9° |
| C3 | C2 | C10 | C11 | 174.0° | 66.1° |
| C3 | C2 | C10 | H10 | 55.9° | 53.9° |
| H2 | C2 | C3 | C4 | 60.2° | 55.4° |
| H2 | C2 | C3 | H31 | 178.9° | 64.6° |
| H2 | C2 | C3 | H32 | 60.7° | 175.4° |
| H2 | C2 | C10 | C12 | 57.6° | 53.8° |
| H2 | C2 | C10 | C11 | 66.2° | 173.9° |
| H2 | C2 | C10 | H10 | 175.8° | 66.2° |
| C4 | C3 | H31 | H32 | 117.2° | 120.0° |
| C3 | C4 | C5 | H41A | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 177.2° | 180.0° |
| C3 | C4 | C5 | H51 | 2.8° | 0.0° |
| H31 | C3 | C4 | C5 | 22.2° | 5.5° |
| H31 | C3 | C4 | H41A | 157.8° | 174.5° |
| H32 | C3 | C4 | C5 | 96.0° | 114.5° |
| H32 | C3 | C4 | H41A | 84.0° | 65.5° |
| C4 | C5 | C6 | H51 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 160.0° | 125.0° |
| C4 | C5 | C6 | H61 | 80.1° | 115.0° |
| C4 | C5 | C6 | H62 | 40.0° | 5.0° |
| H41A | C4 | C5 | C6 | 2.8° | 0.0° |
| H41A | C4 | C5 | H51 | 177.2° | 180.0° |
| C5 | C6 | C7 | H61 | 120.0° | 120.0° |
| C5 | C6 | C7 | H62 | 120.0° | 120.0° |
| C5 | C6 | H61 | H62 | 120.0° | 120.1° |
| C5 | C6 | C7 | C8 | 86.4° | 65.0° |
| C5 | C6 | C7 | C9 | 150.8° | 175.0° |
| C5 | C6 | C7 | H7 | 32.9° | 55.0° |
| H51 | C5 | C6 | C7 | 20.0° | 55.0° |
| H51 | C5 | C6 | H61 | 100.0° | 65.0° |
| H51 | C5 | C6 | H62 | 140.0° | 175.0° |
| C7 | C6 | H61 | H62 | 120.0° | 120.0° |
| C6 | C7 | C8 | C9 | 122.1° | 120.0° |
| C6 | C7 | C8 | H7 | 119.3° | 120.0° |
| C6 | C7 | C9 | H7 | 117.7° | 120.1° |
| C6 | C7 | C8 | H81 | 180.0° | 180.0° |
| C6 | C7 | C8 | H82 | 60.0° | 60.0° |
| C6 | C7 | C8 | H83 | 60.0° | 60.0° |
| C6 | C7 | C9 | H91 | 180.0° | 60.0° |
| C6 | C7 | C9 | H92 | 60.0° | 180.0° |
| C6 | C7 | C9 | H93 | 60.0° | 59.9° |
| H61 | C6 | C7 | C8 | 33.6° | 55.0° |
| H61 | C6 | C7 | C9 | 89.2° | 65.0° |
| H61 | C6 | C7 | H7 | 152.9° | 175.0° |
| H62 | C6 | C7 | C8 | 153.6° | 175.0° |
| H62 | C6 | C7 | C9 | 30.9° | 55.0° |
| H62 | C6 | C7 | H7 | 87.0° | 65.1° |
| C8 | C7 | C9 | H7 | 118.4° | 119.9° |
| C7 | C8 | H81 | H82 | 120.0° | 120.0° |
| C7 | C8 | H81 | H83 | 120.0° | 120.0° |
| C7 | C8 | H82 | H83 | 120.0° | 119.9° |
| C8 | C7 | C9 | H91 | 56.1° | 180.0° |
| C8 | C7 | C9 | H92 | 63.9° | 60.0° |
| C8 | C7 | C9 | H93 | 176.1° | 60.1° |
| C9 | C7 | C8 | H81 | 57.9° | 59.9° |
| C9 | C7 | C8 | H82 | 177.9° | 180.0° |
| C9 | C7 | C8 | H83 | 62.1° | 60.1° |
| C7 | C9 | H91 | H92 | 120.0° | 120.1° |
| C7 | C9 | H91 | H93 | 120.0° | 120.0° |
| C7 | C9 | H92 | H93 | 120.0° | 120.0° |
| H7 | C7 | C8 | H81 | 60.7° | 60.0° |
| H7 | C7 | C8 | H82 | 59.4° | 60.0° |
| H7 | C7 | C8 | H83 | 179.3° | 180.0° |
| H7 | C7 | C9 | H91 | 62.3° | 60.1° |
| H7 | C7 | C9 | H92 | 177.7° | 60.0° |
| H7 | C7 | C9 | H93 | 57.7° | NaN° |
| H81 | C8 | H82 | H83 | 120.0° | 120.0° |
| H91 | C9 | H92 | H93 | 120.0° | 119.9° |
| C12 | C10 | C11 | H10 | 118.5° | 120.1° |
| C12 | C10 | C11 | H111 | 56.5° | 55.1° |
| C12 | C10 | C11 | H112 | 176.4° | 64.9° |
| C12 | C10 | C11 | H113 | 63.6° | 175.1° |
| C10 | C12 | H121 | H122 | 120.0° | 120.0° |
| C10 | C12 | H121 | H123 | 120.0° | 120.1° |
| C10 | C12 | H122 | H123 | 120.0° | 120.0° |
| C10 | C11 | H111 | H112 | 120.0° | 120.0° |
| C10 | C11 | H111 | H113 | 120.0° | 120.0° |
| C10 | C11 | H112 | H113 | 120.0° | 120.0° |
| C11 | C10 | C12 | H121 | 56.3° | 179.1° |
| C11 | C10 | C12 | H122 | 63.7° | 61.0° |
| C11 | C10 | C12 | H123 | 176.3° | 59.0° |
| H10 | C10 | C11 | H111 | 62.0° | 175.2° |
| H10 | C10 | C11 | H112 | 57.9° | 55.2° |
| H10 | C10 | C11 | H113 | 177.9° | 64.8° |
| H10 | C10 | C12 | H121 | 62.1° | 60.9° |
| H10 | C10 | C12 | H122 | 177.9° | 59.1° |
| H10 | C10 | C12 | H123 | 57.9° | 179.0° |
| H111 | C11 | H112 | H113 | 120.0° | 120.0° |
| H121 | C12 | H122 | H123 | 120.0° | 120.0° |
| N14 | C15 | C20 | C16 | 121.3° | 120.0° |
| N14 | C15 | C20 | H15 | 119.3° | 120.0° |
| N14 | C15 | C16 | H15 | 120.5° | 119.9° |
| N14 | C15 | C16 | C17 | 61.4° | 65.0° |
| N14 | C15 | C16 | H161 | 59.6° | 55.0° |
| N14 | C15 | C16 | H162 | 177.7° | 175.1° |
| N14 | C15 | C20 | O21 | 64.3° | 0.1° |
| N14 | C15 | C20 | N22 | 113.4° | 180.0° |
| HN14 | N14 | C15 | C20 | 108.1° | 25.0° |
| HN14 | N14 | C15 | C16 | 13.3° | 95.1° |
| HN14 | N14 | C15 | H15 | 133.2° | 145.0° |
| C20 | C15 | C16 | H15 | 119.5° | 120.0° |
| C20 | C15 | C16 | C17 | 178.7° | 175.0° |
| C20 | C15 | C16 | H161 | 60.4° | 65.0° |
| C20 | C15 | C16 | H162 | 57.7° | 55.0° |
| C15 | C20 | O21 | N22 | 177.5° | 179.9° |
| C15 | C20 | N22 | C23 | 179.8° | 180.0° |
| C15 | C20 | N22 | HN22 | 0.2° | 0.1° |
| C15 | C16 | C17 | H161 | 120.9° | 120.0° |
| C15 | C16 | C17 | H162 | 120.9° | 120.0° |
| C15 | C16 | H161 | H162 | 117.1° | 120.0° |
| C15 | C16 | C17 | C19 | 54.1° | 65.0° |
| C15 | C16 | C17 | C18 | 175.5° | 175.0° |
| C15 | C16 | C17 | H17 | 65.4° | 55.0° |
| C16 | C15 | C20 | O21 | 57.0° | 120.0° |
| C16 | C15 | C20 | N22 | 125.3° | 59.9° |
| H15 | C15 | C16 | C17 | 59.2° | 55.0° |
| H15 | C15 | C16 | H161 | 179.9° | 175.0° |
| H15 | C15 | C16 | H162 | 61.8° | 65.0° |
| H15 | C15 | C20 | O21 | 176.4° | 120.0° |
| H15 | C15 | C20 | N22 | 5.9° | 60.1° |
| C17 | C16 | H161 | H162 | 117.1° | 119.9° |
| C16 | C17 | C19 | C18 | 120.9° | 120.1° |
| C16 | C17 | C19 | H17 | 119.5° | 119.9° |
| C16 | C17 | C18 | H17 | 119.0° | 120.0° |
| C16 | C17 | C18 | H181 | 180.0° | 59.9° |
| C16 | C17 | C18 | H182 | 60.0° | 180.0° |
| C16 | C17 | C18 | H183 | 60.0° | 60.0° |
| C16 | C17 | C19 | H191 | 180.0° | 59.9° |
| C16 | C17 | C19 | H192 | 60.0° | 180.0° |
| C16 | C17 | C19 | H193 | 60.0° | 60.1° |
| H161 | C16 | C17 | C19 | 175.0° | 175.0° |
| H161 | C16 | C17 | C18 | 63.6° | 55.0° |
| H161 | C16 | C17 | H17 | 55.5° | 65.0° |
| H162 | C16 | C17 | C19 | 66.9° | 55.1° |
| H162 | C16 | C17 | C18 | 54.6° | 65.0° |
| H162 | C16 | C17 | H17 | 173.6° | 175.0° |
| C19 | C17 | C18 | H17 | 119.5° | 120.0° |
| C19 | C17 | C18 | H181 | 58.5° | 60.1° |
| C19 | C17 | C18 | H182 | 178.5° | 60.0° |
| C19 | C17 | C18 | H183 | 61.5° | 180.0° |
| C17 | C19 | H191 | H192 | 120.0° | 120.0° |
| C17 | C19 | H191 | H193 | 120.0° | 120.0° |
| C17 | C19 | H192 | H193 | 120.0° | 120.0° |
| C17 | C18 | H181 | H182 | 120.0° | 120.1° |
| C17 | C18 | H181 | H183 | 120.0° | 119.9° |
| C17 | C18 | H182 | H183 | 120.0° | 120.0° |
| C18 | C17 | C19 | H191 | 59.1° | 180.0° |
| C18 | C17 | C19 | H192 | 60.9° | 60.0° |
| C18 | C17 | C19 | H193 | 179.1° | 60.0° |
| H17 | C17 | C18 | H181 | 61.1° | 179.9° |
| H17 | C17 | C18 | H182 | 59.0° | 60.0° |
| H17 | C17 | C18 | H183 | 179.0° | 60.0° |
| H17 | C17 | C19 | H191 | 60.5° | 60.0° |
| H17 | C17 | C19 | H192 | 179.5° | 60.0° |
| H17 | C17 | C19 | H193 | 59.5° | 180.0° |
| H181 | C18 | H182 | H183 | 119.9° | 119.9° |
| H191 | C19 | H192 | H193 | 120.0° | 120.0° |
| O21 | C20 | N22 | C23 | 2.2° | 0.1° |
| O21 | C20 | N22 | HN22 | 177.8° | 180.0° |
| C20 | N22 | C23 | HN22 | 180.0° | 179.9° |
| C20 | N22 | C23 | C24 | 124.2° | 84.9° |
| C20 | N22 | C23 | C28 | 88.5° | 155.1° |
| C20 | N22 | C23 | H23 | 18.4° | 35.0° |
| N22 | C23 | C24 | C28 | 143.0° | 120.0° |
| N22 | C23 | C24 | H23 | 106.2° | 120.0° |
| N22 | C23 | C28 | H23 | 107.2° | 120.0° |
| N22 | C23 | C24 | C25 | 81.7° | 65.0° |
| N22 | C23 | C24 | H241 | 39.1° | 55.0° |
| N22 | C23 | C24 | H242 | 157.6° | 175.0° |
| N22 | C23 | C28 | O27 | 36.1° | 15.0° |
| N22 | C23 | C28 | C34 | 151.0° | 165.0° |
| HN22 | N22 | C23 | C24 | 55.8° | 95.0° |
| HN22 | N22 | C23 | C28 | 91.5° | 25.0° |
| HN22 | N22 | C23 | H23 | 161.7° | 145.0° |
| C24 | C23 | C28 | H23 | 110.8° | 120.0° |
| C23 | C24 | C25 | H241 | 120.7° | 120.0° |
| C23 | C24 | C25 | H242 | 120.8° | 120.0° |
| C23 | C24 | H241 | H242 | 117.8° | 120.0° |
| C23 | C24 | C25 | C26 | 132.6° | 180.0° |
| C23 | C24 | C25 | H251 | 107.4° | 60.0° |
| C23 | C24 | C25 | H252 | 12.6° | 60.1° |
| C24 | C23 | C28 | O27 | 178.2° | 105.0° |
| C24 | C23 | C28 | C34 | 66.9° | 75.0° |
| C28 | C23 | C24 | C25 | 135.3° | 175.0° |
| C28 | C23 | C24 | H241 | 104.0° | 65.0° |
| C28 | C23 | C24 | H242 | 14.6° | 55.1° |
| C23 | C28 | O27 | C34 | 115.7° | 180.0° |
| C23 | C28 | C34 | O29 | 71.0° | 0.1° |
| C23 | C28 | C34 | N30 | 110.1° | 180.0° |
| H23 | C23 | C24 | C25 | 24.5° | 54.9° |
| H23 | C23 | C24 | H241 | 145.3° | 175.0° |
| H23 | C23 | C24 | H242 | 96.2° | 65.0° |
| H23 | C23 | C28 | O27 | 71.1° | 135.0° |
| H23 | C23 | C28 | C34 | 43.9° | 45.0° |
| C25 | C24 | H241 | H242 | 117.7° | 120.0° |
| C24 | C25 | C26 | H251 | 120.0° | 120.0° |
| C24 | C25 | C26 | H252 | 120.0° | 120.0° |
| C24 | C25 | H251 | H252 | 120.0° | 120.1° |
| C24 | C25 | C26 | H261 | 180.0° | 180.0° |
| C24 | C25 | C26 | H262 | 60.0° | 60.0° |
| C24 | C25 | C26 | H263 | 60.0° | 60.1° |
| H241 | C24 | C25 | C26 | 11.9° | 60.0° |
| H241 | C24 | C25 | H251 | 131.9° | 180.0° |
| H241 | C24 | C25 | H252 | 108.1° | 60.0° |
| H242 | C24 | C25 | C26 | 106.6° | 60.0° |
| H242 | C24 | C25 | H251 | 13.4° | 60.0° |
| H242 | C24 | C25 | H252 | 133.4° | 180.0° |
| C26 | C25 | H251 | H252 | 120.0° | 119.9° |
| C25 | C26 | H261 | H262 | 120.0° | 120.0° |
| C25 | C26 | H261 | H263 | 120.0° | 119.9° |
| C25 | C26 | H262 | H263 | 120.0° | 119.9° |
| H251 | C25 | C26 | H261 | 60.0° | 60.0° |
| H251 | C25 | C26 | H262 | NaN° | NaN° |
| H251 | C25 | C26 | H263 | 60.0° | 60.0° |
| H252 | C25 | C26 | H261 | 60.0° | 60.0° |
| H252 | C25 | C26 | H262 | 60.0° | 60.1° |
| H252 | C25 | C26 | H263 | 180.0° | 179.9° |
| H261 | C26 | H262 | H263 | 119.9° | 120.0° |
| O27 | C28 | C34 | O29 | 168.9° | 179.9° |
| O27 | C28 | C34 | N30 | 10.0° | 0.0° |
| C28 | C34 | O29 | N30 | 178.9° | 179.9° |
| C28 | C34 | N30 | C31 | 160.0° | 180.0° |
| C28 | C34 | N30 | HN30 | 20.0° | 0.0° |
| O29 | C34 | N30 | C31 | 18.9° | 0.0° |
| O29 | C34 | N30 | HN30 | 161.1° | 179.9° |
| C31 | N30 | C34 | HN30 | 180.0° | 179.9° |
| N30 | C31 | C32 | H311 | 119.9° | 120.0° |
| N30 | C31 | C32 | H312 | 119.9° | 120.0° |
| N30 | C31 | H311 | H312 | 120.3° | 120.0° |
| N30 | C31 | C32 | O33 | 14.3° | 0.0° |
| N30 | C31 | C32 | N35 | 167.3° | 180.0° |
| C34 | N30 | C31 | C32 | 85.1° | 180.0° |
| C34 | N30 | C31 | H311 | 34.7° | 60.0° |
| C34 | N30 | C31 | H312 | 155.0° | 59.9° |
| HN30 | N30 | C31 | C32 | 94.9° | 0.1° |
| HN30 | N30 | C31 | H311 | 145.3° | 119.9° |
| HN30 | N30 | C31 | H312 | 25.0° | 120.1° |
| C32 | C31 | H311 | H312 | 120.3° | 120.0° |
| C31 | C32 | O33 | N35 | 178.3° | 180.0° |
| C31 | C32 | N35 | C36 | 179.1° | 180.0° |
| C31 | C32 | N35 | HN35 | 0.9° | 0.1° |
| H311 | C31 | C32 | O33 | 105.6° | 120.0° |
| H311 | C31 | C32 | N35 | 72.8° | 60.0° |
| H312 | C31 | C32 | O33 | 134.2° | 120.0° |
| H312 | C31 | C32 | N35 | 47.4° | 59.9° |
| O33 | C32 | N35 | C36 | 2.6° | 0.0° |
| O33 | C32 | N35 | HN35 | 177.5° | 180.0° |
| C32 | N35 | C36 | HN35 | 180.0° | 180.0° |
| C32 | N35 | C36 | C37 | 84.4° | 155.0° |
| C32 | N35 | C36 | C43 | 152.0° | 85.0° |
| C32 | N35 | C36 | H36 | 36.4° | 35.0° |
| N35 | C36 | C37 | C43 | 123.0° | 120.0° |
| N35 | C36 | C37 | H36 | 121.3° | 120.0° |
| N35 | C36 | C43 | H36 | 116.2° | 120.0° |
| N35 | C36 | C37 | C38 | 145.9° | 140.0° |
| N35 | C36 | C37 | C39 | 35.3° | 39.8° |
| N35 | C36 | C43 | O45 | 129.9° | 0.0° |
| N35 | C36 | C43 | O44 | 48.9° | 180.0° |
| HN35 | N35 | C36 | C37 | 95.6° | 25.0° |
| HN35 | N35 | C36 | C43 | 27.9° | 95.1° |
| HN35 | N35 | C36 | H36 | 143.6° | 145.0° |
| C37 | C36 | C43 | H36 | 115.6° | 120.0° |
| C36 | C37 | C38 | C39 | 178.8° | 179.7° |
| C36 | C37 | C38 | C40 | 178.9° | 180.0° |
| C36 | C37 | C38 | H38 | 1.1° | 0.0° |
| C36 | C37 | C39 | C41 | 178.8° | 180.0° |
| C36 | C37 | C39 | H39 | 1.2° | 0.1° |
| C37 | C36 | C43 | O45 | 101.9° | 120.0° |
| C37 | C36 | C43 | O44 | 79.2° | 60.0° |
| C43 | C36 | C37 | C38 | 91.1° | 100.0° |
| C43 | C36 | C37 | C39 | 87.7° | 80.3° |
| C36 | C43 | O45 | O44 | 178.8° | 180.0° |
| C36 | C43 | O44 | HO44 | 178.8° | 180.0° |
| H36 | C36 | C37 | C38 | 24.6° | 20.0° |
| H36 | C36 | C37 | C39 | 156.6° | 159.7° |
| H36 | C36 | C43 | O45 | 13.7° | 120.0° |
| H36 | C36 | C43 | O44 | 165.1° | 60.0° |
| C37 | C38 | C40 | H38 | 180.0° | 180.0° |
| C38 | C37 | C39 | C41 | 0.0° | 0.2° |
| C38 | C37 | C39 | H39 | 180.0° | 179.7° |
| C37 | C38 | C40 | C42 | 0.1° | 0.0° |
| C37 | C38 | C40 | H40 | 179.9° | 179.9° |
| C39 | C37 | C38 | C40 | 0.0° | 0.3° |
| C39 | C37 | C38 | H38 | 180.0° | 179.8° |
| C37 | C39 | C41 | H39 | 180.0° | 179.9° |
| C37 | C39 | C41 | C42 | 0.1° | 0.0° |
| C37 | C39 | C41 | H41 | 179.9° | 180.0° |
| C38 | C40 | C42 | H40 | 180.0° | 179.9° |
| C38 | C40 | C42 | C41 | 0.2° | 0.2° |
| C38 | C40 | C42 | H42 | 179.8° | 180.0° |
| H38 | C38 | C40 | C42 | 179.9° | 180.0° |
| H38 | C38 | C40 | H40 | 0.1° | 0.1° |
| C39 | C41 | C42 | C40 | 0.2° | 0.3° |
| C39 | C41 | C42 | H41 | 180.0° | 180.0° |
| C39 | C41 | C42 | H42 | 179.9° | 179.9° |
| H39 | C39 | C41 | C42 | 179.9° | 179.9° |
| H39 | C39 | C41 | H41 | 0.1° | 0.1° |
| C40 | C42 | C41 | H42 | 180.0° | 179.8° |
| C40 | C42 | C41 | H41 | 179.8° | 179.7° |
| H40 | C40 | C42 | C41 | 179.8° | 179.9° |
| H40 | C40 | C42 | H42 | 0.2° | 0.1° |
| H41 | C41 | C42 | H42 | 0.1° | 0.1° |
| O45 | C43 | O44 | HO44 | 0.0° | 0.0° |
