UP2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2R | C63 | doub | 1.21Å | 1.25Å | |
| C63 | O1R | sing | 1.34Å | 1.26Å | |
| C63 | C62 | sing | 1.51Å | 1.53Å | |
| C62 | C61 | sing | 1.53Å | 1.52Å | |
| C61 | C18 | sing | 1.51Å | 1.53Å | |
| C18 | C19 | doub | 1.35Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.41Å | 1.39Å | Aromatic |
| C19 | N24 | sing | 1.36Å | 1.34Å | Aromatic |
| C19 | C20 | sing | 1.51Å | 1.53Å | |
| N24 | C16 | sing | 1.36Å | 1.34Å | Aromatic |
| C20 | C1 | sing | 1.51Å | 1.55Å | |
| C1 | N21 | sing | 1.36Å | 1.33Å | Aromatic |
| C1 | C2 | doub | 1.35Å | 1.39Å | Aromatic |
| C17 | C86 | sing | 1.51Å | 1.55Å | |
| C17 | C16 | doub | 1.35Å | 1.38Å | Aromatic |
| C86 | C87 | sing | 1.51Å | 1.53Å | |
| C87 | O1Q | doub | 1.21Å | 1.25Å | |
| C87 | O2Q | sing | 1.34Å | 1.25Å | |
| C16 | C15 | sing | 1.51Å | 1.52Å | |
| C15 | C14 | sing | 1.51Å | 1.53Å | |
| C14 | N23 | sing | 1.36Å | 1.34Å | Aromatic |
| C14 | C13 | doub | 1.35Å | 1.39Å | Aromatic |
| N23 | C11 | sing | 1.36Å | 1.34Å | Aromatic |
| C13 | C51 | sing | 1.51Å | 1.55Å | |
| C13 | C12 | sing | 1.41Å | 1.39Å | Aromatic |
| C51 | C52 | sing | 1.53Å | 1.53Å | |
| C52 | C53 | sing | 1.51Å | 1.53Å | |
| C53 | O2M | doub | 1.21Å | 1.25Å | |
| C53 | O1M | sing | 1.34Å | 1.25Å | |
| C12 | C81 | sing | 1.51Å | 1.55Å | |
| C12 | C11 | doub | 1.35Å | 1.40Å | Aromatic |
| C81 | C82 | sing | 1.51Å | 1.54Å | |
| C82 | O1L | sing | 1.34Å | 1.26Å | |
| C82 | O2L | doub | 1.21Å | 1.26Å | |
| C11 | C10 | sing | 1.51Å | 1.53Å | |
| C10 | C6 | sing | 1.51Å | 1.54Å | |
| C6 | N22 | sing | 1.36Å | 1.34Å | Aromatic |
| C6 | C7 | doub | 1.35Å | 1.39Å | Aromatic |
| N22 | C9 | sing | 1.36Å | 1.34Å | Aromatic |
| C7 | C7A | sing | 1.51Å | 1.54Å | |
| C7 | C8 | sing | 1.41Å | 1.39Å | Aromatic |
| C7A | C7B | sing | 1.51Å | 1.54Å | |
| C7B | O17 | sing | 1.34Å | 1.26Å | |
| C7B | O27 | doub | 1.21Å | 1.25Å | |
| C8 | C41 | sing | 1.51Å | 1.54Å | |
| C8 | C9 | doub | 1.35Å | 1.39Å | Aromatic |
| C41 | C42 | sing | 1.53Å | 1.53Å | |
| C42 | C43 | sing | 1.51Å | 1.54Å | |
| C43 | O28 | sing | 1.34Å | 1.25Å | |
| C43 | O18 | doub | 1.21Å | 1.25Å | |
| C9 | C5 | sing | 1.51Å | 1.54Å | |
| C5 | C4 | sing | 1.51Å | 1.53Å | |
| C4 | N21 | sing | 1.36Å | 1.34Å | Aromatic |
| C4 | C3 | doub | 1.35Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.41Å | 1.40Å | Aromatic |
| C3 | C31 | sing | 1.51Å | 1.56Å | |
| C2 | C2A | sing | 1.51Å | 1.54Å | |
| C2A | C2B | sing | 1.51Å | 1.53Å | |
| C2B | O12 | doub | 1.21Å | 1.25Å | |
| C2B | O22 | sing | 1.34Å | 1.25Å | |
| C31 | C32 | sing | 1.53Å | 1.54Å | |
| C32 | C33 | sing | 1.51Å | 1.53Å | |
| C33 | O13 | doub | 1.21Å | 1.26Å | |
| C33 | O23 | sing | 1.34Å | 1.26Å | |
| O1R | H1R | sing | 0.97Å | 0.95Å | |
| C62 | H621 | sing | 1.09Å | 1.10Å | |
| C62 | H622 | sing | 1.09Å | 1.10Å | |
| C61 | H611 | sing | 1.09Å | 1.10Å | |
| C61 | H612 | sing | 1.09Å | 1.10Å | |
| N24 | H24 | sing | 0.97Å | 1.00Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| N21 | H21 | sing | 0.97Å | 1.00Å | |
| C86 | H861 | sing | 1.09Å | 1.10Å | |
| C86 | H862 | sing | 1.09Å | 1.10Å | |
| O2Q | H2Q | sing | 0.97Å | 0.95Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| N23 | H23 | sing | 0.97Å | 1.00Å | |
| C51 | H511 | sing | 1.09Å | 1.10Å | |
| C51 | H512 | sing | 1.09Å | 1.10Å | |
| C52 | H521 | sing | 1.09Å | 1.10Å | |
| C52 | H522 | sing | 1.09Å | 1.10Å | |
| O1M | H1M | sing | 0.97Å | 0.95Å | |
| C81 | H811 | sing | 1.09Å | 1.10Å | |
| C81 | H812 | sing | 1.09Å | 1.10Å | |
| O1L | H1L | sing | 0.97Å | 0.95Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| N22 | H22 | sing | 0.97Å | 1.00Å | |
| C7A | H7A1 | sing | 1.09Å | 1.10Å | |
| C7A | H7A2 | sing | 1.09Å | 1.10Å | |
| O17 | H17 | sing | 0.97Å | 0.95Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| O28 | H28 | sing | 0.97Å | 0.95Å | |
| C5 | H51C | sing | 1.09Å | 1.10Å | |
| C5 | H52C | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C2A | H2A1 | sing | 1.09Å | 1.10Å | |
| C2A | H2A2 | sing | 1.09Å | 1.10Å | |
| O22 | HA | sing | 0.97Å | 0.95Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| O23 | HB | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2R | C63 | O1R | 126.1° | 120.0° |
| O2R | C63 | C62 | 116.6° | 120.0° |
| O1R | C63 | C62 | 117.3° | 120.0° |
| C63 | O1R | H1R | 109.5° | 117.0° |
| C63 | C62 | C61 | 106.9° | 109.5° |
| C63 | C62 | H621 | 110.3° | 109.5° |
| C63 | C62 | H622 | 110.3° | 109.4° |
| C62 | C61 | C18 | 116.9° | 109.5° |
| C61 | C62 | H621 | 110.3° | 109.5° |
| C61 | C62 | H622 | 110.4° | 109.5° |
| C62 | C61 | H611 | 107.1° | 109.5° |
| C62 | C61 | H612 | 107.1° | 109.5° |
| C61 | C18 | C19 | 129.8° | 126.3° |
| C61 | C18 | C17 | 122.9° | 126.3° |
| C18 | C61 | H611 | 107.1° | 109.5° |
| C18 | C61 | H612 | 107.0° | 109.5° |
| C19 | C18 | C17 | 107.2° | 107.4° |
| C18 | C19 | N24 | 107.7° | 108.2° |
| C18 | C19 | C20 | 126.1° | 125.9° |
| C18 | C17 | C86 | 127.5° | 126.3° |
| C18 | C17 | C16 | 106.3° | 107.4° |
| N24 | C19 | C20 | 126.2° | 125.9° |
| C19 | N24 | C16 | 109.8° | 108.8° |
| C19 | N24 | H24 | 125.1° | 125.6° |
| C19 | C20 | C1 | 113.9° | 109.4° |
| C19 | C20 | H201 | 108.0° | 109.5° |
| C19 | C20 | H202 | 108.0° | 109.5° |
| N24 | C16 | C17 | 109.0° | 108.2° |
| N24 | C16 | C15 | 128.3° | 125.9° |
| C16 | N24 | H24 | 125.1° | 125.6° |
| C20 | C1 | N21 | 126.6° | 125.9° |
| C20 | C1 | C2 | 125.8° | 125.8° |
| C1 | C20 | H201 | 108.0° | 109.5° |
| C1 | C20 | H202 | 108.0° | 109.5° |
| N21 | C1 | C2 | 107.6° | 108.2° |
| C1 | N21 | C4 | 110.6° | 108.7° |
| C1 | N21 | H21 | 124.7° | 125.6° |
| C1 | C2 | C3 | 107.5° | 107.4° |
| C1 | C2 | C2A | 125.2° | 126.3° |
| C86 | C17 | C16 | 126.2° | 126.3° |
| C17 | C86 | C87 | 110.0° | 109.4° |
| C17 | C86 | H861 | 109.3° | 109.5° |
| C17 | C86 | H862 | 109.3° | 109.5° |
| C17 | C16 | C15 | 122.7° | 125.9° |
| C86 | C87 | O1Q | 116.8° | 120.0° |
| C86 | C87 | O2Q | 117.8° | 120.0° |
| C87 | C86 | H861 | 109.3° | 109.5° |
| C87 | C86 | H862 | 109.3° | 109.5° |
| O1Q | C87 | O2Q | 125.5° | 120.0° |
| C87 | O2Q | H2Q | 109.5° | 117.0° |
| C16 | C15 | C14 | 111.6° | 109.5° |
| C16 | C15 | H151 | 108.8° | 109.4° |
| C16 | C15 | H152 | 108.8° | 109.4° |
| C15 | C14 | N23 | 127.3° | 125.9° |
| C15 | C14 | C13 | 123.4° | 125.9° |
| C14 | C15 | H151 | 108.8° | 109.5° |
| C14 | C15 | H152 | 108.8° | 109.5° |
| N23 | C14 | C13 | 109.3° | 108.2° |
| C14 | N23 | C11 | 109.1° | 108.7° |
| C14 | N23 | H23 | 125.4° | 125.7° |
| C14 | C13 | C51 | 125.5° | 126.3° |
| C14 | C13 | C12 | 106.3° | 107.4° |
| N23 | C11 | C12 | 108.9° | 108.2° |
| N23 | C11 | C10 | 125.9° | 126.0° |
| C11 | N23 | H23 | 125.4° | 125.6° |
| C51 | C13 | C12 | 128.2° | 126.4° |
| C13 | C51 | C52 | 113.6° | 109.5° |
| C13 | C51 | H511 | 108.2° | 109.5° |
| C13 | C51 | H512 | 108.1° | 109.5° |
| C13 | C12 | C81 | 127.1° | 126.2° |
| C13 | C12 | C11 | 106.3° | 107.5° |
| C51 | C52 | C53 | 111.7° | 109.5° |
| C52 | C51 | H511 | 108.1° | 109.4° |
| C52 | C51 | H512 | 108.2° | 109.5° |
| C51 | C52 | H521 | 108.7° | 109.4° |
| C51 | C52 | H522 | 108.7° | 109.5° |
| C52 | C53 | O2M | 116.5° | 120.0° |
| C52 | C53 | O1M | 117.0° | 120.0° |
| C53 | C52 | H521 | 108.7° | 109.5° |
| C53 | C52 | H522 | 108.8° | 109.5° |
| O2M | C53 | O1M | 126.5° | 120.0° |
| C53 | O1M | H1M | 109.5° | 117.0° |
| C81 | C12 | C11 | 126.6° | 126.3° |
| C12 | C81 | C82 | 114.4° | 109.5° |
| C12 | C81 | H811 | 107.8° | 109.5° |
| C12 | C81 | H812 | 107.9° | 109.5° |
| C12 | C11 | C10 | 125.1° | 125.9° |
| C81 | C82 | O1L | 116.1° | 120.0° |
| C81 | C82 | O2L | 118.3° | 120.0° |
| C82 | C81 | H811 | 107.9° | 109.5° |
| C82 | C81 | H812 | 107.9° | 109.4° |
| O1L | C82 | O2L | 125.6° | 119.9° |
| C82 | O1L | H1L | 109.5° | 117.0° |
| C11 | C10 | C6 | 110.9° | 109.8° |
| C11 | C10 | H101 | 109.0° | 109.4° |
| C11 | C10 | H102 | 109.0° | 109.4° |
| C10 | C6 | N22 | 127.4° | 126.0° |
| C10 | C6 | C7 | 124.6° | 125.8° |
| C6 | C10 | H101 | 109.0° | 109.5° |
| C6 | C10 | H102 | 109.0° | 109.4° |
| N22 | C6 | C7 | 108.0° | 108.2° |
| C6 | N22 | C9 | 110.0° | 108.8° |
| C6 | N22 | H22 | 125.0° | 125.6° |
| C6 | C7 | C7A | 126.6° | 126.2° |
| C6 | C7 | C8 | 107.1° | 107.5° |
| N22 | C9 | C8 | 108.4° | 108.2° |
| N22 | C9 | C5 | 127.9° | 126.0° |
| C9 | N22 | H22 | 125.0° | 125.6° |
| C7A | C7 | C8 | 126.3° | 126.3° |
| C7 | C7A | C7B | 110.6° | 109.5° |
| C7 | C7A | H7A1 | 109.1° | 109.5° |
| C7 | C7A | H7A2 | 109.1° | 109.5° |
| C7 | C8 | C41 | 127.1° | 126.3° |
| C7 | C8 | C9 | 106.6° | 107.4° |
| C7A | C7B | O17 | 117.3° | 120.0° |
| C7A | C7B | O27 | 117.6° | 120.0° |
| C7B | C7A | H7A1 | 109.1° | 109.5° |
| C7B | C7A | H7A2 | 109.1° | 109.5° |
| O17 | C7B | O27 | 125.1° | 120.0° |
| C7B | O17 | H17 | 109.5° | 117.0° |
| C41 | C8 | C9 | 126.3° | 126.3° |
| C8 | C41 | C42 | 113.7° | 109.5° |
| C8 | C41 | H411 | 108.1° | 109.5° |
| C8 | C41 | H412 | 108.1° | 109.4° |
| C8 | C9 | C5 | 123.7° | 125.8° |
| C41 | C42 | C43 | 110.0° | 109.5° |
| C42 | C41 | H411 | 108.1° | 109.5° |
| C42 | C41 | H412 | 108.1° | 109.5° |
| C41 | C42 | H421 | 109.3° | 109.5° |
| C41 | C42 | H422 | 109.3° | 109.5° |
| C42 | C43 | O28 | 117.5° | 120.0° |
| C42 | C43 | O18 | 117.2° | 120.0° |
| C43 | C42 | H421 | 109.3° | 109.5° |
| C43 | C42 | H422 | 109.3° | 109.4° |
| O28 | C43 | O18 | 125.3° | 120.0° |
| C43 | O28 | H28 | 109.5° | 117.0° |
| C9 | C5 | C4 | 112.6° | 109.6° |
| C9 | C5 | H51C | 108.5° | 109.4° |
| C9 | C5 | H52C | 108.4° | 109.5° |
| C5 | C4 | N21 | 125.2° | 125.9° |
| C5 | C4 | C3 | 126.3° | 125.9° |
| C4 | C5 | H51C | 108.4° | 109.4° |
| C4 | C5 | H52C | 108.4° | 109.4° |
| N21 | C4 | C3 | 108.5° | 108.2° |
| C4 | N21 | H21 | 124.7° | 125.7° |
| C4 | C3 | C2 | 105.8° | 107.5° |
| C4 | C3 | C31 | 127.9° | 126.2° |
| C2 | C3 | C31 | 126.3° | 126.3° |
| C3 | C2 | C2A | 127.2° | 126.3° |
| C3 | C31 | C32 | 114.9° | 109.5° |
| C3 | C31 | H311 | 107.7° | 109.5° |
| C3 | C31 | H312 | 107.7° | 109.4° |
| C2 | C2A | C2B | 110.8° | 109.5° |
| C2 | C2A | H2A1 | 109.0° | 109.5° |
| C2 | C2A | H2A2 | 109.1° | 109.4° |
| C2A | C2B | O12 | 116.2° | 120.0° |
| C2A | C2B | O22 | 117.9° | 120.0° |
| C2B | C2A | H2A1 | 109.0° | 109.5° |
| C2B | C2A | H2A2 | 109.0° | 109.5° |
| O12 | C2B | O22 | 126.0° | 120.0° |
| C2B | O22 | HA | 109.5° | 117.0° |
| C31 | C32 | C33 | 113.9° | 109.5° |
| C32 | C31 | H311 | 107.7° | 109.5° |
| C32 | C31 | H312 | 107.7° | 109.5° |
| C31 | C32 | H321 | 108.0° | 109.5° |
| C31 | C32 | H322 | 108.0° | 109.5° |
| C32 | C33 | O13 | 116.8° | 120.0° |
| C32 | C33 | O23 | 117.5° | 120.0° |
| C33 | C32 | H321 | 108.0° | 109.4° |
| C33 | C32 | H322 | 108.0° | 109.4° |
| O13 | C33 | O23 | 125.8° | 120.0° |
| C33 | O23 | HB | 109.5° | 117.0° |
| H621 | C62 | H622 | 108.6° | 109.4° |
| H611 | C61 | H612 | 111.8° | 109.5° |
| H201 | C20 | H202 | 110.9° | 109.5° |
| H861 | C86 | H862 | 109.6° | 109.5° |
| H151 | C15 | H152 | 110.1° | 109.5° |
| H511 | C51 | H512 | 110.7° | 109.5° |
| H521 | C52 | H522 | 110.2° | 109.4° |
| H811 | C81 | H812 | 111.0° | 109.5° |
| H101 | C10 | H102 | 110.0° | 109.4° |
| H7A1 | C7A | H7A2 | 109.8° | 109.4° |
| H411 | C41 | H412 | 110.8° | 109.4° |
| H421 | C42 | H422 | 109.7° | 109.5° |
| H51C | C5 | H52C | 110.5° | 109.4° |
| H311 | C31 | H312 | 111.2° | 109.4° |
| H2A1 | C2A | H2A2 | 109.9° | 109.4° |
| H321 | C32 | H322 | 110.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2R | C63 | O1R | C62 | 178.4° | 179.8° |
| O2R | C63 | C62 | C61 | 146.3° | 0.0° |
| O2R | C63 | O1R | H1R | 0.0° | 0.0° |
| O2R | C63 | C62 | H621 | 26.3° | 120.0° |
| O2R | C63 | C62 | H622 | 93.7° | 120.1° |
| O1R | C63 | C62 | C61 | 32.2° | 179.7° |
| O1R | C63 | C62 | H621 | 152.2° | 60.3° |
| O1R | C63 | C62 | H622 | 87.8° | 59.7° |
| C63 | C62 | C61 | H621 | 120.0° | 120.0° |
| C63 | C62 | C61 | H622 | 120.0° | 120.0° |
| C63 | C62 | C61 | C18 | 161.3° | 180.0° |
| C62 | C63 | O1R | H1R | 178.4° | 179.7° |
| C63 | C62 | H621 | H622 | 121.0° | 120.0° |
| C63 | C62 | C61 | H611 | 78.7° | 60.0° |
| C63 | C62 | C61 | H612 | 41.4° | 60.0° |
| C62 | C61 | C18 | H611 | 120.0° | 120.0° |
| C62 | C61 | C18 | H612 | 120.0° | 120.0° |
| C62 | C61 | C18 | C19 | 57.6° | 90.0° |
| C62 | C61 | C18 | C17 | 125.6° | 90.2° |
| C61 | C62 | H621 | H622 | 121.1° | 120.0° |
| C62 | C61 | H611 | H612 | 117.0° | 120.0° |
| C61 | C18 | C19 | C17 | 177.2° | 179.8° |
| C61 | C18 | C19 | N24 | 178.5° | 179.7° |
| C61 | C18 | C19 | C20 | 2.4° | 0.5° |
| C61 | C18 | C17 | C86 | 2.1° | 0.0° |
| C61 | C18 | C17 | C16 | 178.5° | 180.0° |
| C18 | C61 | C62 | H621 | 41.4° | 60.0° |
| C18 | C61 | C62 | H622 | 78.7° | 60.0° |
| C18 | C61 | H611 | H612 | 116.9° | 120.0° |
| C18 | C19 | N24 | C20 | 179.1° | 179.8° |
| C18 | C19 | N24 | C16 | 1.0° | 0.6° |
| C18 | C19 | C20 | C1 | 158.6° | 117.2° |
| C19 | C18 | C17 | C86 | 179.5° | 179.8° |
| C19 | C18 | C17 | C16 | 1.0° | 0.2° |
| C19 | C18 | C61 | H611 | 177.6° | 30.0° |
| C19 | C18 | C61 | H612 | 62.4° | 150.0° |
| C18 | C19 | N24 | H24 | 179.0° | 179.4° |
| C18 | C19 | C20 | H201 | 38.6° | 2.8° |
| C18 | C19 | C20 | H202 | 81.4° | 122.9° |
| C17 | C18 | C19 | N24 | 1.3° | 0.5° |
| C17 | C18 | C19 | C20 | 179.7° | 179.3° |
| C18 | C17 | C16 | N24 | 0.4° | 0.1° |
| C18 | C17 | C86 | C16 | 179.3° | 179.9° |
| C18 | C17 | C86 | C87 | 92.9° | 85.9° |
| C18 | C17 | C16 | C15 | 179.5° | 179.4° |
| C17 | C18 | C61 | H611 | 5.6° | 149.8° |
| C17 | C18 | C61 | H612 | 114.4° | 29.7° |
| C18 | C17 | C86 | H861 | 27.2° | 154.1° |
| C18 | C17 | C86 | H862 | 147.1° | 34.1° |
| C19 | N24 | C16 | H24 | 180.0° | 180.0° |
| N24 | C19 | C20 | C1 | 22.5° | 63.0° |
| C19 | N24 | C16 | C17 | 0.4° | 0.5° |
| C19 | N24 | C16 | C15 | 179.7° | 179.1° |
| N24 | C19 | C20 | H201 | 142.5° | 177.0° |
| N24 | C19 | C20 | H202 | 97.5° | 56.9° |
| C20 | C19 | N24 | C16 | 179.9° | 179.2° |
| C19 | C20 | C1 | H201 | 120.0° | 120.0° |
| C19 | C20 | C1 | H202 | 120.0° | 120.0° |
| C19 | C20 | C1 | N21 | 62.3° | 64.5° |
| C19 | C20 | C1 | C2 | 119.3° | 115.5° |
| C20 | C19 | N24 | H24 | 0.1° | 0.8° |
| C19 | C20 | H201 | H202 | 118.2° | 120.1° |
| N24 | C16 | C17 | C86 | 179.9° | 179.8° |
| N24 | C16 | C17 | C15 | 179.9° | 179.5° |
| N24 | C16 | C15 | C14 | 33.8° | 69.7° |
| N24 | C16 | C15 | H151 | 86.1° | 50.4° |
| N24 | C16 | C15 | H152 | 153.9° | 170.4° |
| C20 | C1 | N21 | C2 | 178.6° | 180.0° |
| C20 | C1 | N21 | C4 | 179.3° | 179.5° |
| C20 | C1 | C2 | C3 | 179.3° | 179.9° |
| C20 | C1 | C2 | C2A | 0.9° | 0.2° |
| C1 | C20 | H201 | H202 | 118.2° | 120.0° |
| C20 | C1 | N21 | H21 | 0.7° | 0.5° |
| C1 | N21 | C4 | C5 | 180.0° | 179.4° |
| C1 | N21 | C4 | H21 | 180.0° | 180.0° |
| C1 | N21 | C4 | C3 | 0.3° | 0.6° |
| N21 | C1 | C2 | C3 | 0.7° | 0.2° |
| N21 | C1 | C2 | C2A | 179.6° | 179.8° |
| N21 | C1 | C20 | H201 | 57.6° | 175.5° |
| N21 | C1 | C20 | H202 | 177.7° | 55.5° |
| C2 | C1 | N21 | C4 | 0.6° | 0.5° |
| C1 | C2 | C3 | C4 | 0.5° | 0.2° |
| C1 | C2 | C3 | C2A | 179.7° | 179.9° |
| C1 | C2 | C3 | C31 | 179.7° | 179.9° |
| C1 | C2 | C2A | C2B | 103.3° | 90.0° |
| C2 | C1 | C20 | H201 | 120.8° | 4.5° |
| C2 | C1 | C20 | H202 | 0.7° | 124.6° |
| C2 | C1 | N21 | H21 | 179.3° | 179.5° |
| C1 | C2 | C2A | H2A1 | 136.7° | 149.9° |
| C1 | C2 | C2A | H2A2 | 16.7° | 30.0° |
| C17 | C86 | C87 | H861 | 120.0° | 120.0° |
| C17 | C86 | C87 | H862 | 120.0° | 120.0° |
| C17 | C86 | C87 | O1Q | 35.6° | 5.0° |
| C17 | C86 | C87 | O2Q | 145.2° | 175.0° |
| C86 | C17 | C16 | C15 | 0.0° | 0.7° |
| C17 | C86 | H861 | H862 | 119.8° | 120.0° |
| C16 | C17 | C86 | C87 | 86.5° | 94.0° |
| C17 | C16 | C15 | C14 | 146.2° | 110.9° |
| C17 | C16 | N24 | H24 | 179.6° | 179.5° |
| C16 | C17 | C86 | H861 | 153.5° | 26.0° |
| C16 | C17 | C86 | H862 | 33.5° | 146.0° |
| C17 | C16 | C15 | H151 | 93.8° | 129.1° |
| C17 | C16 | C15 | H152 | 26.2° | 9.1° |
| C86 | C87 | O1Q | O2Q | 179.1° | 180.0° |
| C87 | C86 | H861 | H862 | 119.8° | 120.0° |
| C86 | C87 | O2Q | H2Q | 179.1° | 174.9° |
| O1Q | C87 | C86 | H861 | 84.3° | 115.0° |
| O1Q | C87 | C86 | H862 | 155.6° | 125.0° |
| O1Q | C87 | O2Q | H2Q | 0.0° | 5.1° |
| O2Q | C87 | C86 | H861 | 94.8° | 65.0° |
| O2Q | C87 | C86 | H862 | 25.2° | 55.0° |
| C16 | C15 | C14 | H151 | 120.0° | 120.0° |
| C16 | C15 | C14 | H152 | 120.0° | 120.0° |
| C16 | C15 | C14 | N23 | 55.9° | 69.5° |
| C16 | C15 | C14 | C13 | 124.8° | 110.4° |
| C15 | C16 | N24 | H24 | 0.3° | 1.0° |
| C16 | C15 | H151 | H152 | 119.1° | 119.9° |
| C15 | C14 | N23 | C13 | 179.4° | 179.9° |
| C15 | C14 | N23 | C11 | 179.7° | 179.1° |
| C15 | C14 | C13 | C51 | 0.9° | 0.6° |
| C15 | C14 | C13 | C12 | 180.0° | 179.4° |
| C14 | C15 | H151 | H152 | 119.1° | 120.0° |
| C15 | C14 | N23 | H23 | 0.3° | 0.9° |
| C14 | N23 | C11 | H23 | 180.0° | 180.0° |
| N23 | C14 | C13 | C51 | 179.6° | 179.4° |
| N23 | C14 | C13 | C12 | 0.6° | 0.6° |
| C14 | N23 | C11 | C12 | 0.1° | 0.9° |
| C14 | N23 | C11 | C10 | 179.7° | 178.7° |
| N23 | C14 | C15 | H151 | 175.9° | 50.5° |
| N23 | C14 | C15 | H152 | 64.2° | 170.5° |
| C13 | C14 | N23 | C11 | 0.3° | 1.0° |
| C14 | C13 | C51 | C12 | 178.8° | 180.0° |
| C14 | C13 | C51 | C52 | 98.4° | 90.4° |
| C14 | C13 | C12 | C81 | 179.5° | 180.0° |
| C14 | C13 | C12 | C11 | 0.6° | 0.1° |
| C13 | C14 | C15 | H151 | 4.8° | 129.6° |
| C13 | C14 | C15 | H152 | 115.2° | 9.5° |
| C13 | C14 | N23 | H23 | 179.7° | 179.0° |
| C14 | C13 | C51 | H511 | 141.6° | 29.6° |
| C14 | C13 | C51 | H512 | 21.7° | 149.6° |
| N23 | C11 | C12 | C13 | 0.5° | 0.5° |
| N23 | C11 | C12 | C81 | 179.4° | 179.5° |
| N23 | C11 | C12 | C10 | 179.6° | 179.6° |
| N23 | C11 | C10 | C6 | 65.9° | 62.9° |
| N23 | C11 | C10 | H101 | 174.1° | 57.3° |
| N23 | C11 | C10 | H102 | 54.1° | 177.0° |
| C13 | C51 | C52 | H511 | 120.0° | 120.0° |
| C13 | C51 | C52 | H512 | 120.0° | 120.0° |
| C13 | C51 | C52 | C53 | 49.4° | 176.9° |
| C51 | C13 | C12 | C81 | 1.5° | 0.1° |
| C51 | C13 | C12 | C11 | 179.6° | 179.9° |
| C13 | C51 | H511 | H512 | 118.3° | 120.0° |
| C13 | C51 | C52 | H521 | 70.6° | 56.9° |
| C13 | C51 | C52 | H522 | 169.4° | 63.0° |
| C12 | C13 | C51 | C52 | 82.8° | 89.7° |
| C13 | C12 | C81 | C11 | 178.7° | 180.0° |
| C13 | C12 | C81 | C82 | 76.3° | 95.4° |
| C13 | C12 | C11 | C10 | 180.0° | 179.1° |
| C12 | C13 | C51 | H511 | 37.2° | 150.4° |
| C12 | C13 | C51 | H512 | 157.2° | 30.3° |
| C13 | C12 | C81 | H811 | 43.7° | 24.7° |
| C13 | C12 | C81 | H812 | 163.7° | 144.7° |
| C51 | C52 | C53 | H521 | 120.0° | 120.0° |
| C51 | C52 | C53 | H522 | 120.0° | 120.0° |
| C51 | C52 | C53 | O2M | 96.9° | 5.3° |
| C51 | C52 | C53 | O1M | 82.1° | 174.7° |
| C52 | C51 | H511 | H512 | 118.3° | 120.0° |
| C51 | C52 | H521 | H522 | 119.1° | 119.9° |
| C52 | C53 | O2M | O1M | 179.0° | 180.0° |
| C53 | C52 | C51 | H511 | 169.4° | 63.1° |
| C53 | C52 | C51 | H512 | 70.6° | 56.9° |
| C53 | C52 | H521 | H522 | 119.1° | 120.1° |
| C52 | C53 | O1M | H1M | 179.0° | 180.0° |
| O2M | C53 | C52 | H521 | 23.1° | 114.7° |
| O2M | C53 | C52 | H522 | 143.0° | 125.3° |
| O2M | C53 | O1M | H1M | 0.0° | 0.0° |
| O1M | C53 | C52 | H521 | 157.9° | 65.3° |
| O1M | C53 | C52 | H522 | 37.9° | 54.7° |
| C12 | C81 | C82 | H811 | 120.0° | 120.1° |
| C12 | C81 | C82 | H812 | 120.0° | 120.0° |
| C12 | C81 | C82 | O1L | 159.1° | 178.5° |
| C12 | C81 | C82 | O2L | 22.5° | 1.5° |
| C81 | C12 | C11 | C10 | 1.1° | 1.0° |
| C12 | C81 | H811 | H812 | 118.0° | 120.0° |
| C11 | C12 | C81 | C82 | 105.0° | 84.7° |
| C12 | C11 | C10 | C6 | 113.5° | 117.6° |
| C12 | C11 | N23 | H23 | 179.9° | 179.1° |
| C11 | C12 | C81 | H811 | 135.0° | 155.3° |
| C11 | C12 | C81 | H812 | 15.0° | 35.3° |
| C12 | C11 | C10 | H101 | 6.4° | 122.3° |
| C12 | C11 | C10 | H102 | 126.4° | 2.5° |
| C81 | C82 | O1L | O2L | 178.2° | 180.0° |
| C82 | C81 | H811 | H812 | 118.0° | 120.0° |
| C81 | C82 | O1L | H1L | 178.2° | 180.0° |
| O1L | C82 | C81 | H811 | 80.9° | 61.4° |
| O1L | C82 | C81 | H812 | 39.1° | 58.6° |
| O2L | C82 | C81 | H811 | 97.5° | 118.6° |
| O2L | C82 | C81 | H812 | 142.5° | 121.4° |
| O2L | C82 | O1L | H1L | 0.0° | 0.0° |
| C11 | C10 | C6 | H101 | 120.0° | 120.1° |
| C11 | C10 | C6 | H102 | 120.0° | 120.1° |
| C11 | C10 | C6 | N22 | 27.8° | 61.4° |
| C11 | C10 | C6 | C7 | 152.1° | 118.6° |
| C10 | C11 | N23 | H23 | 0.3° | 1.4° |
| C11 | C10 | H101 | H102 | 119.4° | 119.8° |
| C10 | C6 | N22 | C7 | 179.9° | 180.0° |
| C10 | C6 | N22 | C9 | 179.6° | 179.2° |
| C10 | C6 | C7 | C7A | 0.6° | 0.6° |
| C10 | C6 | C7 | C8 | 179.7° | 179.5° |
| C6 | C10 | H101 | H102 | 119.5° | 119.8° |
| C10 | C6 | N22 | H22 | 0.4° | 0.9° |
| C6 | N22 | C9 | H22 | 180.0° | 179.9° |
| N22 | C6 | C7 | C7A | 179.5° | 179.4° |
| N22 | C6 | C7 | C8 | 0.3° | 0.5° |
| C6 | N22 | C9 | C8 | 0.9° | 0.7° |
| C6 | N22 | C9 | C5 | 179.6° | 178.8° |
| N22 | C6 | C10 | H101 | 92.2° | 58.7° |
| N22 | C6 | C10 | H102 | 147.8° | 178.6° |
| C7 | C6 | N22 | C9 | 0.4° | 0.8° |
| C6 | C7 | C7A | C8 | 179.0° | 179.9° |
| C6 | C7 | C7A | C7B | 91.7° | 93.9° |
| C6 | C7 | C8 | C41 | 179.4° | 179.9° |
| C6 | C7 | C8 | C9 | 0.8° | 0.1° |
| C7 | C6 | C10 | H101 | 87.9° | 121.2° |
| C7 | C6 | C10 | H102 | 32.2° | 1.4° |
| C7 | C6 | N22 | H22 | 179.6° | 179.2° |
| C6 | C7 | C7A | H7A1 | 28.2° | 146.1° |
| C6 | C7 | C7A | H7A2 | 148.3° | 26.1° |
| N22 | C9 | C8 | C7 | 1.0° | 0.4° |
| N22 | C9 | C8 | C41 | 179.7° | 179.6° |
| N22 | C9 | C8 | C5 | 178.8° | 179.6° |
| N22 | C9 | C5 | C4 | 39.2° | 68.3° |
| N22 | C9 | C5 | H51C | 80.7° | 51.7° |
| N22 | C9 | C5 | H52C | 159.2° | 171.7° |
| C7 | C7A | C7B | H7A1 | 120.0° | 120.0° |
| C7 | C7A | C7B | H7A2 | 120.0° | 120.0° |
| C7 | C7A | C7B | O17 | 162.1° | 174.8° |
| C7 | C7A | C7B | O27 | 17.5° | 5.3° |
| C7A | C7 | C8 | C41 | 1.4° | 0.1° |
| C7A | C7 | C8 | C9 | 180.0° | 179.9° |
| C7 | C7A | H7A1 | H7A2 | 119.6° | 120.0° |
| C8 | C7 | C7A | C7B | 87.3° | 86.0° |
| C7 | C8 | C41 | C9 | 178.4° | 180.0° |
| C7 | C8 | C41 | C42 | 97.1° | 85.7° |
| C7 | C8 | C9 | C5 | 179.8° | 179.2° |
| C8 | C7 | C7A | H7A1 | 152.8° | 34.0° |
| C8 | C7 | C7A | H7A2 | 32.8° | 153.9° |
| C7 | C8 | C41 | H411 | 22.9° | 34.3° |
| C7 | C8 | C41 | H412 | 142.9° | 154.3° |
| C7A | C7B | O17 | O27 | 179.6° | 179.9° |
| C7B | C7A | H7A1 | H7A2 | 119.6° | 120.0° |
| C7A | C7B | O17 | H17 | 179.6° | 180.0° |
| O17 | C7B | C7A | H7A1 | 42.1° | 65.2° |
| O17 | C7B | C7A | H7A2 | 77.9° | 54.8° |
| O27 | C7B | C7A | H7A1 | 137.5° | 114.8° |
| O27 | C7B | C7A | H7A2 | 102.5° | 125.3° |
| O27 | C7B | O17 | H17 | 0.0° | 0.0° |
| C8 | C41 | C42 | H411 | 120.0° | 120.1° |
| C8 | C41 | C42 | H412 | 120.0° | 120.0° |
| C8 | C41 | C42 | C43 | 171.5° | 175.4° |
| C41 | C8 | C9 | C5 | 1.5° | 0.8° |
| C8 | C41 | H411 | H412 | 118.3° | 120.0° |
| C8 | C41 | C42 | H421 | 68.5° | 64.6° |
| C8 | C41 | C42 | H422 | 51.5° | 55.4° |
| C9 | C8 | C41 | C42 | 84.5° | 94.3° |
| C8 | C9 | C5 | C4 | 142.2° | 112.2° |
| C8 | C9 | N22 | H22 | 179.1° | 179.2° |
| C9 | C8 | C41 | H411 | 155.5° | 145.7° |
| C9 | C8 | C41 | H412 | 35.5° | 25.7° |
| C8 | C9 | C5 | H51C | 97.8° | 127.8° |
| C8 | C9 | C5 | H52C | 22.2° | 7.9° |
| C41 | C42 | C43 | H421 | 120.0° | 120.0° |
| C41 | C42 | C43 | H422 | 120.0° | 120.0° |
| C41 | C42 | C43 | O28 | 48.5° | 174.6° |
| C41 | C42 | C43 | O18 | 130.9° | 5.4° |
| C42 | C41 | H411 | H412 | 118.3° | 120.0° |
| C41 | C42 | H421 | H422 | 119.8° | 120.0° |
| C42 | C43 | O28 | O18 | 179.3° | 179.9° |
| C43 | C42 | C41 | H411 | 51.5° | 55.3° |
| C43 | C42 | C41 | H412 | 68.5° | 64.6° |
| C43 | C42 | H421 | H422 | 119.8° | 120.0° |
| C42 | C43 | O28 | H28 | 179.4° | 175.0° |
| O28 | C43 | C42 | H421 | 168.5° | 65.4° |
| O28 | C43 | C42 | H422 | 71.4° | 54.6° |
| O18 | C43 | C42 | H421 | 10.9° | 114.7° |
| O18 | C43 | C42 | H422 | 109.2° | 125.3° |
| O18 | C43 | O28 | H28 | 0.0° | 4.9° |
| C9 | C5 | C4 | H51C | 120.0° | 120.0° |
| C9 | C5 | C4 | H52C | 120.0° | 120.1° |
| C9 | C5 | C4 | N21 | 48.5° | 71.0° |
| C9 | C5 | C4 | C3 | 131.9° | 109.0° |
| C5 | C9 | N22 | H22 | 0.4° | 1.2° |
| C9 | C5 | H51C | H52C | 118.7° | 119.9° |
| C5 | C4 | N21 | C3 | 179.7° | 179.9° |
| C5 | C4 | C3 | C2 | 179.6° | 179.5° |
| C5 | C4 | C3 | C31 | 0.4° | 0.3° |
| C5 | C4 | N21 | H21 | 0.0° | 0.6° |
| C4 | C5 | H51C | H52C | 118.7° | 119.9° |
| N21 | C4 | C3 | C2 | 0.1° | 0.5° |
| N21 | C4 | C3 | C31 | 179.3° | 179.6° |
| N21 | C4 | C5 | H51C | 168.5° | 49.1° |
| N21 | C4 | C5 | H52C | 71.5° | 169.0° |
| C4 | C3 | C2 | C31 | 179.2° | 179.9° |
| C4 | C3 | C2 | C2A | 179.8° | 179.8° |
| C4 | C3 | C31 | C32 | 51.6° | 93.0° |
| C3 | C4 | N21 | H21 | 179.7° | 179.3° |
| C3 | C4 | C5 | H51C | 11.9° | 131.0° |
| C3 | C4 | C5 | H52C | 108.1° | 11.1° |
| C4 | C3 | C31 | H311 | 68.4° | 27.1° |
| C4 | C3 | C31 | H312 | 171.6° | 147.0° |
| C3 | C2 | C2A | C2B | 76.4° | 90.1° |
| C2 | C3 | C31 | C32 | 129.4° | 86.8° |
| C2 | C3 | C31 | H311 | 110.6° | 153.1° |
| C2 | C3 | C31 | H312 | 9.4° | 33.1° |
| C3 | C2 | C2A | H2A1 | 43.6° | 30.0° |
| C3 | C2 | C2A | H2A2 | 163.6° | 150.0° |
| C31 | C3 | C2 | C2A | 0.6° | 0.0° |
| C3 | C31 | C32 | H311 | 120.0° | 120.1° |
| C3 | C31 | C32 | H312 | 120.0° | 119.9° |
| C3 | C31 | C32 | C33 | 63.9° | 175.0° |
| C3 | C31 | H311 | H312 | 117.8° | 119.9° |
| C3 | C31 | C32 | H321 | 56.1° | 65.0° |
| C3 | C31 | C32 | H322 | 176.1° | 55.1° |
| C2 | C2A | C2B | H2A1 | 120.0° | 120.1° |
| C2 | C2A | C2B | H2A2 | 120.0° | 120.0° |
| C2 | C2A | C2B | O12 | 133.9° | 0.0° |
| C2 | C2A | C2B | O22 | 45.6° | 180.0° |
| C2 | C2A | H2A1 | H2A2 | 119.5° | 119.9° |
| C2A | C2B | O12 | O22 | 179.4° | 180.0° |
| C2B | C2A | H2A1 | H2A2 | 119.4° | 120.0° |
| C2A | C2B | O22 | HA | 179.5° | 180.0° |
| O12 | C2B | C2A | H2A1 | 13.9° | 120.0° |
| O12 | C2B | C2A | H2A2 | 106.1° | 120.0° |
| O12 | C2B | O22 | HA | 0.0° | 0.0° |
| O22 | C2B | C2A | H2A1 | 165.6° | 59.9° |
| O22 | C2B | C2A | H2A2 | 74.4° | 60.0° |
| C31 | C32 | C33 | H321 | 120.0° | 120.0° |
| C31 | C32 | C33 | H322 | 120.0° | 120.0° |
| C31 | C32 | C33 | O13 | 153.9° | 5.4° |
| C31 | C32 | C33 | O23 | 27.0° | 174.6° |
| C32 | C31 | H311 | H312 | 117.8° | 120.0° |
| C31 | C32 | H321 | H322 | 118.2° | 120.1° |
| C32 | C33 | O13 | O23 | 179.0° | 180.0° |
| C33 | C32 | C31 | H311 | 176.1° | 55.0° |
| C33 | C32 | C31 | H312 | 56.1° | 65.0° |
| C33 | C32 | H321 | H322 | 118.2° | 119.9° |
| C32 | C33 | O23 | HB | 178.9° | 175.0° |
| O13 | C33 | C32 | H321 | 33.9° | 114.6° |
| O13 | C33 | C32 | H322 | 86.1° | 125.4° |
| O13 | C33 | O23 | HB | 0.0° | 5.0° |
| O23 | C33 | C32 | H321 | 147.0° | 65.4° |
| O23 | C33 | C32 | H322 | 93.0° | 54.6° |
| H621 | C62 | C61 | H611 | 161.4° | 180.0° |
| H621 | C62 | C61 | H612 | 78.6° | 60.0° |
| H622 | C62 | C61 | H611 | 41.3° | 60.0° |
| H622 | C62 | C61 | H612 | 161.3° | 180.0° |
| H511 | C51 | C52 | H521 | 49.4° | 176.9° |
| H511 | C51 | C52 | H522 | 70.5° | 57.0° |
| H512 | C51 | C52 | H521 | 169.4° | 63.1° |
| H512 | C51 | C52 | H522 | 49.4° | 177.0° |
| H411 | C41 | C42 | H421 | 171.5° | 175.3° |
| H411 | C41 | C42 | H422 | 68.5° | 64.6° |
| H412 | C41 | C42 | H421 | 51.5° | 55.4° |
| H412 | C41 | C42 | H422 | 171.5° | 175.4° |
| H311 | C31 | C32 | H321 | 63.9° | 174.9° |
| H311 | C31 | C32 | H322 | 56.1° | 65.0° |
| H312 | C31 | C32 | H321 | 176.1° | 54.9° |
| H312 | C31 | C32 | H322 | 63.9° | 175.0° |
