1CP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O18 | C43 | sing | 1.34Å | 1.26Å | |
| O18 | H18 | sing | 0.97Å | 0.95Å | |
| C43 | O28 | doub | 1.21Å | 1.25Å | |
| C43 | C42 | sing | 1.51Å | 1.51Å | |
| C42 | C41 | sing | 1.53Å | 1.53Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C41 | C8 | sing | 1.51Å | 1.53Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C8 | C7 | sing | 1.41Å | 1.42Å | Aromatic |
| C8 | C9 | doub | 1.35Å | 1.37Å | Aromatic |
| C7 | C7A | sing | 1.51Å | 1.53Å | |
| C7 | C6 | doub | 1.35Å | 1.38Å | Aromatic |
| C7A | H7A1 | sing | 1.09Å | 1.10Å | |
| C7A | H7A2 | sing | 1.09Å | 1.10Å | |
| C7A | H7A3 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.51Å | 1.52Å | |
| C9 | N22 | sing | 1.36Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| N22 | C6 | sing | 1.36Å | 1.41Å | Aromatic |
| N22 | H22 | sing | 0.97Å | 1.00Å | |
| C6 | C5 | sing | 1.51Å | 1.51Å | |
| C5 | C4 | sing | 1.51Å | 1.50Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C4 | N21 | sing | 1.36Å | 1.38Å | Aromatic |
| C4 | C3 | doub | 1.35Å | 1.37Å | Aromatic |
| N21 | C1 | sing | 1.36Å | 1.36Å | Aromatic |
| N21 | H21 | sing | 0.97Å | 1.00Å | |
| C3 | C31 | sing | 1.51Å | 1.53Å | |
| C3 | C2 | sing | 1.41Å | 1.41Å | Aromatic |
| C31 | C32 | sing | 1.53Å | 1.51Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | C33 | sing | 1.51Å | 1.52Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | O23 | doub | 1.21Å | 1.26Å | |
| C33 | O13 | sing | 1.34Å | 1.28Å | |
| O13 | H13 | sing | 0.97Å | 0.95Å | |
| C2 | C2A | sing | 1.51Å | 1.52Å | |
| C2 | C1 | doub | 1.35Å | 1.35Å | Aromatic |
| C2A | H2A1 | sing | 1.09Å | 1.10Å | |
| C2A | H2A2 | sing | 1.09Å | 1.10Å | |
| C2A | H2A3 | sing | 1.09Å | 1.10Å | |
| C1 | C20 | sing | 1.51Å | 1.49Å | |
| C20 | C19 | sing | 1.51Å | 1.49Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C19 | N24 | sing | 1.36Å | 1.39Å | Aromatic |
| C19 | C18 | doub | 1.35Å | 1.36Å | Aromatic |
| N24 | C16 | sing | 1.36Å | 1.38Å | Aromatic |
| N24 | H24 | sing | 0.97Å | 1.00Å | |
| C18 | C61 | sing | 1.51Å | 1.55Å | |
| C18 | C17 | sing | 1.41Å | 1.41Å | Aromatic |
| C61 | C62 | sing | 1.53Å | 1.57Å | |
| C61 | H611 | sing | 1.09Å | 1.10Å | |
| C61 | H612 | sing | 1.09Å | 1.10Å | |
| C62 | C63 | sing | 1.51Å | 1.52Å | |
| C62 | H621 | sing | 1.09Å | 1.10Å | |
| C62 | H622 | sing | 1.09Å | 1.10Å | |
| C63 | O1R | sing | 1.34Å | 1.26Å | |
| C63 | O2R | doub | 1.21Å | 1.26Å | |
| O1R | H1R | sing | 0.97Å | 0.95Å | |
| C17 | C86 | sing | 1.51Å | 1.52Å | |
| C17 | C16 | doub | 1.35Å | 1.38Å | Aromatic |
| C86 | H861 | sing | 1.09Å | 1.10Å | |
| C86 | H862 | sing | 1.09Å | 1.10Å | |
| C86 | H863 | sing | 1.09Å | 1.10Å | |
| C16 | C15 | sing | 1.51Å | 1.51Å | |
| C15 | C14 | sing | 1.51Å | 1.53Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C14 | N23 | sing | 1.36Å | 1.35Å | Aromatic |
| C14 | C13 | doub | 1.35Å | 1.37Å | Aromatic |
| N23 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| N23 | H23 | sing | 0.97Å | 1.00Å | |
| C11 | C12 | doub | 1.35Å | 1.36Å | Aromatic |
| C12 | C81 | sing | 1.51Å | 1.52Å | |
| C12 | C13 | sing | 1.43Å | 1.43Å | Aromatic |
| C81 | H811 | sing | 1.09Å | 1.10Å | |
| C81 | H812 | sing | 1.09Å | 1.10Å | |
| C81 | H813 | sing | 1.09Å | 1.10Å | |
| C13 | C91 | sing | 1.51Å | 1.53Å | |
| C91 | C92 | sing | 1.53Å | 1.54Å | |
| C91 | H911 | sing | 1.09Å | 1.10Å | |
| C91 | H912 | sing | 1.09Å | 1.10Å | |
| C92 | C53 | sing | 1.51Å | 1.53Å | |
| C92 | H921 | sing | 1.09Å | 1.10Å | |
| C92 | H922 | sing | 1.09Å | 1.10Å | |
| C53 | O2M | doub | 1.21Å | 1.27Å | |
| C53 | O1M | sing | 1.34Å | 1.26Å | |
| O1M | H1M | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C43 | O18 | H18 | 109.5° | 117.0° |
| O18 | C43 | O28 | 124.4° | 120.0° |
| O18 | C43 | C42 | 116.3° | 120.0° |
| O28 | C43 | C42 | 119.3° | 120.0° |
| C43 | C42 | C41 | 116.7° | 109.4° |
| C43 | C42 | H421 | 107.6° | 109.5° |
| C43 | C42 | H422 | 107.6° | 109.5° |
| C41 | C42 | H421 | 107.7° | 109.5° |
| C41 | C42 | H422 | 107.6° | 109.5° |
| C42 | C41 | C8 | 100.9° | 109.5° |
| C42 | C41 | H411 | 111.6° | 109.5° |
| C42 | C41 | H412 | 111.6° | 109.5° |
| H421 | C42 | H422 | 109.5° | 109.5° |
| C8 | C41 | H411 | 111.6° | 109.5° |
| C8 | C41 | H412 | 111.6° | 109.4° |
| C41 | C8 | C7 | 124.3° | 126.3° |
| C41 | C8 | C9 | 126.5° | 126.3° |
| H411 | C41 | H412 | 109.4° | 109.4° |
| C7 | C8 | C9 | 109.2° | 107.4° |
| C8 | C7 | C7A | 126.2° | 126.3° |
| C8 | C7 | C6 | 107.7° | 107.5° |
| C8 | C9 | C10 | 130.4° | 126.1° |
| C8 | C9 | N22 | 106.5° | 108.2° |
| C7A | C7 | C6 | 126.0° | 126.2° |
| C7 | C7A | H7A1 | 109.5° | 109.5° |
| C7 | C7A | H7A2 | 109.4° | 109.5° |
| C7 | C7A | H7A3 | 109.4° | 109.5° |
| C7 | C6 | N22 | 106.2° | 108.2° |
| C7 | C6 | C5 | 129.2° | 125.9° |
| H7A1 | C7A | H7A2 | 109.5° | 109.5° |
| H7A1 | C7A | H7A3 | 109.4° | 109.4° |
| H7A2 | C7A | H7A3 | 109.5° | 109.5° |
| C10 | C9 | N22 | 123.0° | 125.7° |
| C9 | C10 | C11 | 112.0° | 109.3° |
| C9 | C10 | H101 | 108.8° | 109.6° |
| C9 | C10 | H102 | 108.9° | 109.5° |
| C9 | N22 | C6 | 110.3° | 108.7° |
| C9 | N22 | H22 | 124.9° | 125.6° |
| C11 | C10 | H101 | 108.9° | 109.5° |
| C11 | C10 | H102 | 108.8° | 109.5° |
| C10 | C11 | N23 | 120.9° | 125.3° |
| C10 | C11 | C12 | 133.7° | 126.1° |
| H101 | C10 | H102 | 109.4° | 109.5° |
| C6 | N22 | H22 | 124.8° | 125.6° |
| N22 | C6 | C5 | 124.4° | 125.9° |
| C6 | C5 | C4 | 118.0° | 109.8° |
| C6 | C5 | H51 | 107.3° | 109.4° |
| C6 | C5 | H52 | 107.3° | 109.5° |
| C4 | C5 | H51 | 107.3° | 109.4° |
| C4 | C5 | H52 | 107.3° | 109.4° |
| C5 | C4 | N21 | 125.4° | 126.1° |
| C5 | C4 | C3 | 125.5° | 125.7° |
| H51 | C5 | H52 | 109.4° | 109.4° |
| N21 | C4 | C3 | 109.1° | 108.2° |
| C4 | N21 | C1 | 107.2° | 108.8° |
| C4 | N21 | H21 | 126.4° | 125.6° |
| C4 | C3 | C31 | 126.6° | 126.3° |
| C4 | C3 | C2 | 106.2° | 107.4° |
| C1 | N21 | H21 | 126.4° | 125.7° |
| N21 | C1 | C2 | 109.9° | 108.2° |
| N21 | C1 | C20 | 129.2° | 126.3° |
| C31 | C3 | C2 | 127.0° | 126.3° |
| C3 | C31 | C32 | 117.5° | 109.5° |
| C3 | C31 | H311 | 107.4° | 109.5° |
| C3 | C31 | H312 | 107.4° | 109.5° |
| C3 | C2 | C2A | 127.1° | 126.3° |
| C3 | C2 | C1 | 107.7° | 107.4° |
| C32 | C31 | H311 | 107.4° | 109.4° |
| C32 | C31 | H312 | 107.4° | 109.4° |
| C31 | C32 | C33 | 109.4° | 109.5° |
| C31 | C32 | H321 | 109.5° | 109.5° |
| C31 | C32 | H322 | 109.5° | 109.5° |
| H311 | C31 | H312 | 109.5° | 109.5° |
| C33 | C32 | H321 | 109.5° | 109.4° |
| C33 | C32 | H322 | 109.5° | 109.5° |
| C32 | C33 | O23 | 117.9° | 120.0° |
| C32 | C33 | O13 | 116.3° | 120.0° |
| H321 | C32 | H322 | 109.5° | 109.5° |
| O23 | C33 | O13 | 125.7° | 120.0° |
| C33 | O13 | H13 | 109.5° | 117.0° |
| C2A | C2 | C1 | 125.2° | 126.3° |
| C2 | C2A | H2A1 | 109.5° | 109.4° |
| C2 | C2A | H2A2 | 109.5° | 109.5° |
| C2 | C2A | H2A3 | 109.4° | 109.5° |
| C2 | C1 | C20 | 120.9° | 125.5° |
| H2A1 | C2A | H2A2 | 109.5° | 109.4° |
| H2A1 | C2A | H2A3 | 109.5° | 109.5° |
| H2A2 | C2A | H2A3 | 109.4° | 109.5° |
| C1 | C20 | C19 | 118.9° | 110.1° |
| C1 | C20 | H201 | 107.1° | 109.4° |
| C1 | C20 | H202 | 107.1° | 109.3° |
| C19 | C20 | H201 | 107.1° | 109.4° |
| C19 | C20 | H202 | 107.1° | 109.4° |
| C20 | C19 | N24 | 128.1° | 126.2° |
| C20 | C19 | C18 | 122.8° | 125.6° |
| H201 | C20 | H202 | 109.5° | 109.2° |
| N24 | C19 | C18 | 109.1° | 108.2° |
| C19 | N24 | C16 | 108.1° | 108.8° |
| C19 | N24 | H24 | 125.9° | 125.6° |
| C19 | C18 | C61 | 128.6° | 126.3° |
| C19 | C18 | C17 | 106.4° | 107.4° |
| C16 | N24 | H24 | 126.0° | 125.6° |
| N24 | C16 | C17 | 107.4° | 108.2° |
| N24 | C16 | C15 | 123.1° | 126.0° |
| C61 | C18 | C17 | 125.0° | 126.3° |
| C18 | C61 | C62 | 112.5° | 109.5° |
| C18 | C61 | H611 | 108.7° | 109.5° |
| C18 | C61 | H612 | 108.7° | 109.5° |
| C18 | C17 | C86 | 121.7° | 126.3° |
| C18 | C17 | C16 | 108.9° | 107.4° |
| C62 | C61 | H611 | 108.7° | 109.5° |
| C62 | C61 | H612 | 108.7° | 109.5° |
| C61 | C62 | C63 | 113.9° | 109.5° |
| C61 | C62 | H621 | 108.4° | 109.4° |
| C61 | C62 | H622 | 108.4° | 109.5° |
| H611 | C61 | H612 | 109.4° | 109.4° |
| C63 | C62 | H621 | 108.3° | 109.5° |
| C63 | C62 | H622 | 108.3° | 109.5° |
| C62 | C63 | O1R | 119.4° | 120.1° |
| C62 | C63 | O2R | 119.3° | 120.0° |
| H621 | C62 | H622 | 109.5° | 109.4° |
| O1R | C63 | O2R | 121.3° | 120.0° |
| C63 | O1R | H1R | 109.5° | 117.0° |
| C86 | C17 | C16 | 129.4° | 126.3° |
| C17 | C86 | H861 | 109.5° | 109.4° |
| C17 | C86 | H862 | 109.5° | 109.4° |
| C17 | C86 | H863 | 109.5° | 109.5° |
| C17 | C16 | C15 | 129.5° | 125.8° |
| H861 | C86 | H862 | 109.5° | 109.5° |
| H861 | C86 | H863 | 109.5° | 109.5° |
| H862 | C86 | H863 | 109.5° | 109.5° |
| C16 | C15 | C14 | 109.0° | 109.5° |
| C16 | C15 | H151 | 109.6° | 109.5° |
| C16 | C15 | H152 | 109.6° | 109.5° |
| C14 | C15 | H151 | 109.6° | 109.4° |
| C14 | C15 | H152 | 109.6° | 109.4° |
| C15 | C14 | N23 | 121.8° | 125.8° |
| C15 | C14 | C13 | 130.4° | 126.0° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| N23 | C14 | C13 | 107.7° | 108.2° |
| C14 | N23 | C11 | 111.6° | 108.6° |
| C14 | N23 | H23 | 124.2° | 125.6° |
| C14 | C13 | C12 | 106.0° | 108.1° |
| C14 | C13 | C91 | 126.9° | 126.3° |
| C11 | N23 | H23 | 124.2° | 125.8° |
| N23 | C11 | C12 | 105.4° | 108.6° |
| C11 | C12 | C81 | 125.3° | 126.3° |
| C11 | C12 | C13 | 109.1° | 106.5° |
| C81 | C12 | C13 | 125.5° | 127.2° |
| C12 | C81 | H811 | 109.5° | 109.5° |
| C12 | C81 | H812 | 109.5° | 109.4° |
| C12 | C81 | H813 | 109.5° | 109.4° |
| C12 | C13 | C91 | 126.8° | 125.6° |
| H811 | C81 | H812 | 109.4° | 109.5° |
| H811 | C81 | H813 | 109.5° | 109.5° |
| H812 | C81 | H813 | 109.5° | 109.5° |
| C13 | C91 | C92 | 118.0° | 109.5° |
| C13 | C91 | H911 | 107.3° | 109.4° |
| C13 | C91 | H912 | 107.3° | 109.5° |
| C92 | C91 | H911 | 107.3° | 109.5° |
| C92 | C91 | H912 | 107.3° | 109.5° |
| C91 | C92 | C53 | 115.5° | 109.5° |
| C91 | C92 | H921 | 107.9° | 109.4° |
| C91 | C92 | H922 | 108.0° | 109.5° |
| H911 | C91 | H912 | 109.5° | 109.4° |
| C53 | C92 | H921 | 108.0° | 109.5° |
| C53 | C92 | H922 | 107.9° | 109.5° |
| C92 | C53 | O2M | 117.1° | 120.0° |
| C92 | C53 | O1M | 121.8° | 120.0° |
| H921 | C92 | H922 | 109.4° | 109.5° |
| O2M | C53 | O1M | 121.1° | 120.0° |
| C53 | O1M | H1M | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O18 | C43 | O28 | C42 | 179.5° | 180.0° |
| O18 | C43 | C42 | C41 | 171.4° | 180.0° |
| O18 | C43 | C42 | H421 | 67.5° | 60.0° |
| O18 | C43 | C42 | H422 | 50.4° | 60.0° |
| H18 | O18 | C43 | O28 | 0.0° | 0.0° |
| H18 | O18 | C43 | C42 | 179.5° | 180.0° |
| O28 | C43 | C42 | C41 | 9.1° | 0.0° |
| O28 | C43 | C42 | H421 | 112.0° | 120.0° |
| O28 | C43 | C42 | H422 | 130.1° | 120.0° |
| C43 | C42 | C41 | H421 | 121.1° | 120.0° |
| C43 | C42 | C41 | H422 | 121.0° | 120.0° |
| C43 | C42 | H421 | H422 | 116.7° | 120.0° |
| C43 | C42 | C41 | C8 | 174.5° | 180.0° |
| C43 | C42 | C41 | H411 | 66.9° | 60.0° |
| C43 | C42 | C41 | H412 | 55.8° | 60.0° |
| C41 | C42 | H421 | H422 | 116.7° | 120.0° |
| C42 | C41 | C8 | H411 | 118.6° | 120.1° |
| C42 | C41 | C8 | H412 | 118.6° | 120.0° |
| C42 | C41 | H411 | H412 | 124.0° | 120.0° |
| C42 | C41 | C8 | C7 | 79.3° | 90.0° |
| C42 | C41 | C8 | C9 | 99.1° | 90.2° |
| H421 | C42 | C41 | C8 | 53.4° | 60.0° |
| H421 | C42 | C41 | H411 | 172.0° | 179.9° |
| H421 | C42 | C41 | H412 | 65.2° | 59.9° |
| H422 | C42 | C41 | C8 | 64.5° | 60.1° |
| H422 | C42 | C41 | H411 | 54.1° | 60.0° |
| H422 | C42 | C41 | H412 | 176.9° | 180.0° |
| C8 | C41 | H411 | H412 | 124.0° | 119.9° |
| C41 | C8 | C7 | C9 | 178.7° | 179.8° |
| C41 | C8 | C7 | C7A | 3.7° | 0.1° |
| C41 | C8 | C7 | C6 | 179.9° | 180.0° |
| C41 | C8 | C9 | C10 | 1.1° | 0.2° |
| C41 | C8 | C9 | N22 | 179.6° | 179.8° |
| H411 | C41 | C8 | C7 | 39.3° | 30.1° |
| H411 | C41 | C8 | C9 | 142.3° | 149.7° |
| H412 | C41 | C8 | C7 | 162.0° | 150.0° |
| H412 | C41 | C8 | C9 | 19.5° | 29.8° |
| C8 | C7 | C7A | C6 | 175.4° | 179.9° |
| C8 | C7 | C7A | H7A1 | 87.7° | 90.0° |
| C8 | C7 | C7A | H7A2 | 152.3° | 150.0° |
| C8 | C7 | C7A | H7A3 | 32.3° | 29.9° |
| C7 | C8 | C9 | C10 | 179.8° | 179.6° |
| C7 | C8 | C9 | N22 | 0.9° | 0.4° |
| C8 | C7 | C6 | N22 | 1.3° | 0.1° |
| C8 | C7 | C6 | C5 | 176.2° | 179.4° |
| C9 | C8 | C7 | C7A | 177.6° | 179.9° |
| C9 | C8 | C7 | C6 | 1.4° | 0.2° |
| C8 | C9 | C10 | N22 | 179.2° | 179.9° |
| C8 | C9 | C10 | C11 | 112.6° | 136.9° |
| C8 | C9 | C10 | H101 | 7.8° | 103.1° |
| C8 | C9 | C10 | H102 | 127.1° | 17.0° |
| C8 | C9 | N22 | C6 | 0.1° | 0.5° |
| C8 | C9 | N22 | H22 | 179.9° | 179.7° |
| C7 | C7A | H7A1 | H7A2 | 120.0° | 120.0° |
| C7 | C7A | H7A1 | H7A3 | 120.0° | 120.0° |
| C7 | C7A | H7A2 | H7A3 | 120.0° | 120.1° |
| C7A | C7 | C6 | N22 | 177.5° | 179.8° |
| C7A | C7 | C6 | C5 | 7.7° | 0.7° |
| C6 | C7 | C7A | H7A1 | 87.8° | 90.1° |
| C6 | C7 | C7A | H7A2 | 32.2° | 29.9° |
| C6 | C7 | C7A | H7A3 | 152.3° | 150.0° |
| C7 | C6 | N22 | C9 | 0.8° | 0.4° |
| C7 | C6 | N22 | C5 | 175.1° | 179.5° |
| C7 | C6 | N22 | H22 | 179.2° | 179.9° |
| C7 | C6 | C5 | C4 | 124.8° | 99.6° |
| C7 | C6 | C5 | H51 | 114.0° | 20.4° |
| C7 | C6 | C5 | H52 | 3.5° | 140.3° |
| H7A1 | C7A | H7A2 | H7A3 | 120.0° | 119.9° |
| C9 | C10 | C11 | H101 | 120.4° | 120.0° |
| C9 | C10 | C11 | H102 | 120.4° | 119.9° |
| C9 | C10 | H101 | H102 | 118.8° | 120.2° |
| C10 | C9 | N22 | C6 | 179.4° | 179.6° |
| C10 | C9 | N22 | H22 | 0.6° | 0.2° |
| C9 | C10 | C11 | N23 | 76.5° | 46.0° |
| C9 | C10 | C11 | C12 | 102.6° | 133.9° |
| N22 | C9 | C10 | C11 | 66.6° | 43.0° |
| N22 | C9 | C10 | H101 | 173.0° | 76.9° |
| N22 | C9 | C10 | H102 | 53.8° | 162.9° |
| C9 | N22 | C6 | H22 | 180.0° | 179.8° |
| C9 | N22 | C6 | C5 | 175.9° | 179.1° |
| C11 | C10 | H101 | H102 | 118.8° | 120.0° |
| C10 | C11 | N23 | C14 | 179.2° | 179.7° |
| C10 | C11 | N23 | C12 | 179.4° | 179.9° |
| C10 | C11 | N23 | H23 | 0.8° | 0.0° |
| C10 | C11 | C12 | C81 | 1.8° | 0.3° |
| C10 | C11 | C12 | C13 | 178.5° | 180.0° |
| H101 | C10 | C11 | N23 | 163.1° | 166.0° |
| H101 | C10 | C11 | C12 | 17.7° | 13.9° |
| H102 | C10 | C11 | N23 | 43.9° | 74.0° |
| H102 | C10 | C11 | C12 | 137.0° | 106.2° |
| N22 | C6 | C5 | C4 | 61.3° | 81.0° |
| N22 | C6 | C5 | H51 | 60.0° | 159.0° |
| N22 | C6 | C5 | H52 | 177.5° | 39.1° |
| H22 | N22 | C6 | C5 | 4.1° | 0.6° |
| C6 | C5 | C4 | H51 | 121.2° | 120.1° |
| C6 | C5 | C4 | H52 | 121.2° | 120.1° |
| C6 | C5 | H51 | H52 | 116.2° | 119.9° |
| C6 | C5 | C4 | N21 | 17.4° | 68.5° |
| C6 | C5 | C4 | C3 | 163.0° | 111.5° |
| C4 | C5 | H51 | H52 | 116.1° | 119.8° |
| C5 | C4 | N21 | C3 | 179.7° | 180.0° |
| C5 | C4 | N21 | C1 | 179.6° | 179.3° |
| C5 | C4 | N21 | H21 | 0.4° | 0.7° |
| C5 | C4 | C3 | C31 | 5.4° | 0.4° |
| C5 | C4 | C3 | C2 | 179.8° | 179.5° |
| H51 | C5 | C4 | N21 | 103.8° | 171.5° |
| H51 | C5 | C4 | C3 | 75.8° | 8.6° |
| H52 | C5 | C4 | N21 | 138.6° | 51.7° |
| H52 | C5 | C4 | C3 | 41.8° | 128.4° |
| C4 | N21 | C1 | H21 | 180.0° | 180.0° |
| N21 | C4 | C3 | C31 | 174.3° | 179.5° |
| N21 | C4 | C3 | C2 | 0.1° | 0.5° |
| C4 | N21 | C1 | C2 | 1.1° | 0.7° |
| C4 | N21 | C1 | C20 | 179.9° | 178.9° |
| C3 | C4 | N21 | C1 | 0.7° | 0.8° |
| C3 | C4 | N21 | H21 | 179.3° | 179.3° |
| C4 | C3 | C31 | C2 | 173.3° | 179.9° |
| C4 | C3 | C31 | C32 | 123.9° | 90.0° |
| C4 | C3 | C31 | H311 | 114.9° | 150.1° |
| C4 | C3 | C31 | H312 | 2.8° | 30.0° |
| C4 | C3 | C2 | C2A | 179.4° | 179.9° |
| C4 | C3 | C2 | C1 | 0.5° | 0.1° |
| N21 | C1 | C2 | C3 | 1.0° | 0.4° |
| N21 | C1 | C2 | C2A | 178.9° | 179.6° |
| N21 | C1 | C2 | C20 | 178.9° | 179.6° |
| N21 | C1 | C20 | C19 | 4.6° | 28.7° |
| N21 | C1 | C20 | H201 | 125.9° | 149.0° |
| N21 | C1 | C20 | H202 | 116.7° | 91.5° |
| H21 | N21 | C1 | C2 | 178.9° | 179.3° |
| H21 | N21 | C1 | C20 | 0.1° | 1.1° |
| C3 | C31 | C32 | H311 | 121.1° | 120.0° |
| C3 | C31 | C32 | H312 | 121.2° | 120.0° |
| C3 | C31 | H311 | H312 | 116.4° | 120.1° |
| C3 | C31 | C32 | C33 | 92.6° | 180.0° |
| C3 | C31 | C32 | H321 | 27.4° | 60.1° |
| C3 | C31 | C32 | H322 | 147.4° | 60.0° |
| C31 | C3 | C2 | C2A | 5.0° | 0.0° |
| C31 | C3 | C2 | C1 | 174.9° | 180.0° |
| C2 | C3 | C31 | C32 | 62.8° | 89.9° |
| C2 | C3 | C31 | H311 | 58.3° | 30.0° |
| C2 | C3 | C31 | H312 | 176.0° | 150.1° |
| C3 | C2 | C2A | C1 | 179.9° | 179.9° |
| C3 | C2 | C2A | H2A1 | 90.0° | 90.1° |
| C3 | C2 | C2A | H2A2 | 149.9° | 150.0° |
| C3 | C2 | C2A | H2A3 | 29.9° | 29.9° |
| C3 | C2 | C1 | C20 | 179.9° | 179.2° |
| C32 | C31 | H311 | H312 | 116.3° | 119.9° |
| C31 | C32 | C33 | H321 | 120.0° | 120.0° |
| C31 | C32 | C33 | H322 | 120.0° | 120.0° |
| C31 | C32 | H321 | H322 | 120.0° | 120.0° |
| C31 | C32 | C33 | O23 | 175.2° | 0.0° |
| C31 | C32 | C33 | O13 | 8.0° | 180.0° |
| H311 | C31 | C32 | C33 | 146.3° | 60.0° |
| H311 | C31 | C32 | H321 | 93.7° | 180.0° |
| H311 | C31 | C32 | H322 | 26.3° | 60.0° |
| H312 | C31 | C32 | C33 | 28.6° | 60.0° |
| H312 | C31 | C32 | H321 | 148.6° | 60.0° |
| H312 | C31 | C32 | H322 | 91.4° | 180.0° |
| C33 | C32 | H321 | H322 | 120.0° | 120.0° |
| C32 | C33 | O23 | O13 | 176.5° | 180.0° |
| C32 | C33 | O13 | H13 | 176.6° | 180.0° |
| H321 | C32 | C33 | O23 | 64.9° | 120.0° |
| H321 | C32 | C33 | O13 | 112.0° | 60.0° |
| H322 | C32 | C33 | O23 | 55.2° | 120.0° |
| H322 | C32 | C33 | O13 | 128.0° | 60.0° |
| O23 | C33 | O13 | H13 | 0.0° | 0.0° |
| C2 | C2A | H2A1 | H2A2 | 120.0° | 120.0° |
| C2 | C2A | H2A1 | H2A3 | 120.0° | 120.0° |
| C2 | C2A | H2A2 | H2A3 | 119.9° | 120.1° |
| C2A | C2 | C1 | C20 | 0.0° | 0.8° |
| C1 | C2 | C2A | H2A1 | 90.1° | 90.0° |
| C1 | C2 | C2A | H2A2 | 30.0° | 30.0° |
| C1 | C2 | C2A | H2A3 | 149.9° | 150.0° |
| C2 | C1 | C20 | C19 | 174.1° | 151.7° |
| C2 | C1 | C20 | H201 | 52.8° | 31.5° |
| C2 | C1 | C20 | H202 | 64.6° | 88.1° |
| H2A1 | C2A | H2A2 | H2A3 | 120.0° | 120.0° |
| C1 | C20 | C19 | H201 | 121.3° | 120.2° |
| C1 | C20 | C19 | H202 | 121.3° | 120.2° |
| C1 | C20 | H201 | H202 | 115.8° | 119.7° |
| C1 | C20 | C19 | N24 | 27.6° | 51.4° |
| C1 | C20 | C19 | C18 | 151.2° | 128.7° |
| C19 | C20 | H201 | H202 | 115.7° | 119.7° |
| C20 | C19 | N24 | C18 | 178.9° | 179.9° |
| C20 | C19 | N24 | C16 | 179.9° | 179.5° |
| C20 | C19 | N24 | H24 | 0.1° | 0.5° |
| C20 | C19 | C18 | C61 | 0.7° | 0.4° |
| C20 | C19 | C18 | C17 | 179.6° | 179.6° |
| H201 | C20 | C19 | N24 | 93.7° | 68.8° |
| H201 | C20 | C19 | C18 | 87.5° | 111.1° |
| H202 | C20 | C19 | N24 | 148.9° | 171.6° |
| H202 | C20 | C19 | C18 | 29.9° | 8.5° |
| C19 | N24 | C16 | H24 | 180.0° | 180.0° |
| N24 | C19 | C18 | C61 | 179.7° | 179.8° |
| N24 | C19 | C18 | C17 | 1.4° | 0.3° |
| C19 | N24 | C16 | C17 | 0.0° | 0.4° |
| C19 | N24 | C16 | C15 | 178.0° | 179.4° |
| C18 | C19 | N24 | C16 | 0.9° | 0.4° |
| C18 | C19 | N24 | H24 | 179.1° | 179.6° |
| C19 | C18 | C61 | C17 | 178.7° | 180.0° |
| C19 | C18 | C61 | C62 | 118.5° | 90.0° |
| C19 | C18 | C61 | H611 | 121.0° | 150.0° |
| C19 | C18 | C61 | H612 | 1.9° | 30.0° |
| C19 | C18 | C17 | C86 | 178.6° | 179.9° |
| C19 | C18 | C17 | C16 | 1.4° | 0.0° |
| N24 | C16 | C17 | C18 | 0.8° | 0.2° |
| N24 | C16 | C17 | C86 | 179.1° | 179.8° |
| N24 | C16 | C17 | C15 | 177.9° | 179.8° |
| N24 | C16 | C15 | C14 | 67.1° | 77.4° |
| N24 | C16 | C15 | H151 | 52.9° | 42.6° |
| N24 | C16 | C15 | H152 | 173.0° | 162.6° |
| H24 | N24 | C16 | C17 | 179.9° | 179.7° |
| H24 | N24 | C16 | C15 | 2.0° | 0.5° |
| C18 | C61 | C62 | H611 | 120.5° | 120.1° |
| C18 | C61 | C62 | H612 | 120.5° | 120.0° |
| C18 | C61 | H611 | H612 | 118.6° | 120.0° |
| C18 | C61 | C62 | C63 | 170.3° | 180.0° |
| C18 | C61 | C62 | H621 | 49.6° | 60.0° |
| C18 | C61 | C62 | H622 | 69.0° | 59.9° |
| C61 | C18 | C17 | C86 | 0.4° | 0.0° |
| C61 | C18 | C17 | C16 | 179.6° | 180.0° |
| C17 | C18 | C61 | C62 | 62.7° | 90.0° |
| C17 | C18 | C61 | H611 | 57.7° | 30.0° |
| C17 | C18 | C61 | H612 | 176.8° | 150.0° |
| C18 | C17 | C86 | C16 | 180.0° | 180.0° |
| C18 | C17 | C86 | H861 | 90.0° | 95.1° |
| C18 | C17 | C86 | H862 | 150.0° | 144.9° |
| C18 | C17 | C86 | H863 | 30.0° | 24.9° |
| C18 | C17 | C16 | C15 | 178.7° | 179.6° |
| C62 | C61 | H611 | H612 | 118.6° | 119.9° |
| C61 | C62 | C63 | H621 | 120.7° | 120.0° |
| C61 | C62 | C63 | H622 | 120.7° | 120.1° |
| C61 | C62 | H621 | H622 | 118.0° | 120.0° |
| C61 | C62 | C63 | O1R | 101.6° | 180.0° |
| C61 | C62 | C63 | O2R | 77.6° | 0.0° |
| H611 | C61 | C62 | C63 | 69.3° | 59.9° |
| H611 | C61 | C62 | H621 | 170.1° | 180.0° |
| H611 | C61 | C62 | H622 | 51.4° | 60.1° |
| H612 | C61 | C62 | C63 | 49.8° | 60.0° |
| H612 | C61 | C62 | H621 | 70.8° | 60.1° |
| H612 | C61 | C62 | H622 | 170.5° | 180.0° |
| C63 | C62 | H621 | H622 | 117.9° | 120.0° |
| C62 | C63 | O1R | O2R | 179.2° | 180.0° |
| C62 | C63 | O1R | H1R | 179.2° | 180.0° |
| H621 | C62 | C63 | O1R | 19.0° | 60.0° |
| H621 | C62 | C63 | O2R | 161.7° | 120.0° |
| H622 | C62 | C63 | O1R | 137.7° | 60.0° |
| H622 | C62 | C63 | O2R | 43.1° | 120.1° |
| O2R | C63 | O1R | H1R | 0.0° | 0.0° |
| C17 | C86 | H861 | H862 | 120.0° | 120.0° |
| C17 | C86 | H861 | H863 | 120.0° | 120.0° |
| C17 | C86 | H862 | H863 | 120.0° | 120.0° |
| C86 | C17 | C16 | C15 | 1.2° | 0.4° |
| C16 | C17 | C86 | H861 | 90.0° | 85.0° |
| C16 | C17 | C86 | H862 | 30.0° | 35.0° |
| C16 | C17 | C86 | H863 | 150.0° | 155.0° |
| C17 | C16 | C15 | C14 | 115.3° | 102.8° |
| C17 | C16 | C15 | H151 | 124.7° | 137.1° |
| C17 | C16 | C15 | H152 | 4.6° | 17.1° |
| H861 | C86 | H862 | H863 | 120.0° | 120.0° |
| C16 | C15 | C14 | H151 | 119.9° | 120.0° |
| C16 | C15 | C14 | H152 | 119.9° | 120.0° |
| C16 | C15 | H151 | H152 | 120.2° | 120.0° |
| C16 | C15 | C14 | N23 | 84.2° | 75.7° |
| C16 | C15 | C14 | C13 | 94.9° | 104.5° |
| C14 | C15 | H151 | H152 | 120.2° | 119.9° |
| C15 | C14 | N23 | C13 | 179.3° | 179.9° |
| C15 | C14 | N23 | C11 | 179.5° | 179.7° |
| C15 | C14 | N23 | H23 | 0.5° | 0.1° |
| C15 | C14 | C13 | C12 | 178.0° | 179.7° |
| C15 | C14 | C13 | C91 | 3.3° | 0.1° |
| H151 | C15 | C14 | N23 | 35.7° | 44.4° |
| H151 | C15 | C14 | C13 | 145.2° | 135.5° |
| H152 | C15 | C14 | N23 | 155.8° | 164.3° |
| H152 | C15 | C14 | C13 | 25.0° | 15.6° |
| C14 | N23 | C11 | H23 | 180.0° | 179.8° |
| C14 | N23 | C11 | C12 | 1.5° | 0.2° |
| N23 | C14 | C13 | C12 | 1.2° | 0.4° |
| N23 | C14 | C13 | C91 | 175.9° | 179.8° |
| C13 | C14 | N23 | C11 | 0.1° | 0.4° |
| C13 | C14 | N23 | H23 | 179.9° | 179.8° |
| C14 | C13 | C12 | C11 | 2.2° | 0.3° |
| C14 | C13 | C12 | C81 | 179.0° | 180.0° |
| C14 | C13 | C12 | C91 | 174.7° | 179.7° |
| C14 | C13 | C91 | C92 | 99.4° | 94.0° |
| C14 | C13 | C91 | H911 | 21.9° | 26.0° |
| C14 | C13 | C91 | H912 | 139.4° | 146.0° |
| N23 | C11 | C12 | C81 | 179.0° | 179.8° |
| N23 | C11 | C12 | C13 | 2.2° | 0.1° |
| H23 | N23 | C11 | C12 | 178.5° | 180.0° |
| C11 | C12 | C81 | C13 | 176.3° | 179.6° |
| C11 | C12 | C81 | H811 | 88.2° | 89.9° |
| C11 | C12 | C81 | H812 | 151.9° | 150.1° |
| C11 | C12 | C81 | H813 | 31.9° | 30.1° |
| C11 | C12 | C13 | C91 | 176.9° | 179.9° |
| C12 | C81 | H811 | H812 | 120.0° | 120.0° |
| C12 | C81 | H811 | H813 | 120.0° | 120.0° |
| C12 | C81 | H812 | H813 | 120.0° | 120.0° |
| C81 | C12 | C13 | C91 | 6.3° | 0.3° |
| C13 | C12 | C81 | H811 | 88.1° | 89.7° |
| C13 | C12 | C81 | H812 | 31.9° | 30.3° |
| C13 | C12 | C81 | H813 | 151.8° | 150.3° |
| C12 | C13 | C91 | C92 | 87.0° | 86.4° |
| C12 | C13 | C91 | H911 | 151.7° | 153.6° |
| C12 | C13 | C91 | H912 | 34.2° | 33.7° |
| H811 | C81 | H812 | H813 | 120.0° | 120.0° |
| C13 | C91 | C92 | H911 | 121.2° | 120.0° |
| C13 | C91 | C92 | H912 | 121.2° | 120.1° |
| C13 | C91 | H911 | H912 | 116.2° | 120.0° |
| C13 | C91 | C92 | C53 | 172.5° | 179.6° |
| C13 | C91 | C92 | H921 | 51.6° | 60.4° |
| C13 | C91 | C92 | H922 | 66.6° | 59.5° |
| C92 | C91 | H911 | H912 | 116.1° | 120.0° |
| C91 | C92 | C53 | H921 | 120.9° | 120.0° |
| C91 | C92 | C53 | H922 | 120.9° | 120.0° |
| C91 | C92 | H921 | H922 | 117.3° | 120.0° |
| C91 | C92 | C53 | O2M | 85.1° | 0.1° |
| C91 | C92 | C53 | O1M | 96.1° | 180.0° |
| H911 | C91 | C92 | C53 | 66.2° | 59.6° |
| H911 | C91 | C92 | H921 | 172.9° | 179.6° |
| H911 | C91 | C92 | H922 | 54.6° | 60.4° |
| H912 | C91 | C92 | C53 | 51.3° | 60.3° |
| H912 | C91 | C92 | H921 | 69.6° | 59.7° |
| H912 | C91 | C92 | H922 | 172.2° | 179.6° |
| C53 | C92 | H921 | H922 | 117.2° | 120.0° |
| C92 | C53 | O2M | O1M | 178.8° | 179.9° |
| C92 | C53 | O1M | H1M | 178.8° | 179.9° |
| H921 | C92 | C53 | O2M | 35.8° | 120.0° |
| H921 | C92 | C53 | O1M | 143.0° | 60.0° |
| H922 | C92 | C53 | O2M | 154.0° | 120.0° |
| H922 | C92 | C53 | O1M | 24.8° | 60.0° |
| O2M | C53 | O1M | H1M | 0.0° | 0.0° |
