HUF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O33 | C19 | doub | 1.21Å | 1.23Å | |
| C19 | N29 | sing | 1.35Å | 1.38Å | |
| O37 | C26 | sing | 1.43Å | 1.42Å | |
| C24 | N32 | sing | 1.47Å | 1.46Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| N29 | C15 | sing | 1.41Å | 1.39Å | |
| N29 | C20 | sing | 1.41Å | 1.37Å | |
| N32 | C21 | sing | 1.37Å | 1.38Å | |
| N32 | C14 | sing | 1.40Å | 1.43Å | |
| C15 | C14 | doub | 1.40Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.37Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.34Å | |
| C20 | C23 | sing | 1.40Å | 1.48Å | |
| C21 | N30 | sing | 1.37Å | 1.36Å | |
| C14 | C13 | sing | 1.39Å | 1.38Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.37Å | Aromatic |
| N30 | C22 | sing | 1.35Å | 1.36Å | |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | N31 | sing | 1.35Å | 1.37Å | |
| C23 | O35 | doub | 1.22Å | 1.23Å | |
| C22 | N31 | sing | 1.34Å | 1.37Å | |
| C22 | O34 | doub | 1.22Å | 1.22Å | |
| C17 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.51Å | 1.50Å | |
| C12 | C11 | sing | 1.51Å | 1.49Å | |
| C26 | C25 | sing | 1.53Å | 1.51Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C25 | O36 | sing | 1.43Å | 1.42Å | |
| O2B | PB | doub | 1.48Å | 1.51Å | |
| C28 | C27 | sing | 1.53Å | 1.51Å | |
| C28 | O1B | sing | 1.43Å | 1.42Å | |
| C27 | O38 | sing | 1.43Å | 1.42Å | |
| PB | O3A | sing | 1.61Å | 1.62Å | |
| PB | O1B | sing | 1.61Å | 1.63Å | |
| PB | O3B | sing | 1.61Å | 1.51Å | |
| O3A | PA | sing | 1.61Å | 1.62Å | |
| O2A | PA | doub | 1.48Å | 1.51Å | |
| PA | O1A | sing | 1.61Å | 1.51Å | |
| PA | O5' | sing | 1.61Å | 1.63Å | |
| C5' | O5' | sing | 1.43Å | 1.43Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| N7 | C8 | doub | 1.30Å | 1.32Å | Aromatic |
| N7 | C5 | sing | 1.36Å | 1.37Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.37Å | Aromatic |
| N6 | C6 | sing | 1.38Å | 1.40Å | |
| O4' | C4' | sing | 1.44Å | 1.42Å | |
| O4' | C1' | sing | 1.44Å | 1.43Å | |
| C5 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.41Å | 1.37Å | Aromatic |
| C4' | C3' | sing | 1.54Å | 1.51Å | |
| N9 | C1' | sing | 1.47Å | 1.45Å | |
| N9 | C4 | sing | 1.37Å | 1.36Å | Aromatic |
| C6 | N1 | sing | 1.33Å | 1.34Å | Aromatic |
| C2' | C3' | sing | 1.55Å | 1.51Å | |
| C2' | C1' | sing | 1.55Å | 1.49Å | |
| C2' | O2' | sing | 1.43Å | 1.42Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C4 | N3 | doub | 1.33Å | 1.33Å | Aromatic |
| N1 | C2 | doub | 1.32Å | 1.34Å | Aromatic |
| N3 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
| O1A | H1 | sing | 0.97Å | 0.95Å | |
| O3B | H2 | sing | 0.97Å | 0.95Å | |
| C5' | H3 | sing | 1.09Å | 1.10Å | |
| C5' | H4 | sing | 1.09Å | 1.10Å | |
| C4' | H5 | sing | 1.09Å | 1.10Å | |
| C3' | H6 | sing | 1.09Å | 1.10Å | |
| O3' | H7 | sing | 0.97Å | 0.95Å | |
| C2' | H8 | sing | 1.09Å | 1.10Å | |
| O2' | H9 | sing | 0.97Å | 0.95Å | |
| C1' | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.08Å | 1.08Å | |
| C2 | H12 | sing | 1.08Å | 1.08Å | |
| N6 | H13 | sing | 0.97Å | 1.00Å | |
| N6 | H14 | sing | 0.97Å | 1.00Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.08Å | 1.08Å | |
| C16 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H29 | sing | 1.09Å | 1.10Å | |
| C28 | H30 | sing | 1.09Å | 1.10Å | |
| N30 | H31 | sing | 0.97Å | 1.00Å | |
| N31 | H32 | sing | 0.97Å | 1.00Å | |
| O36 | H33 | sing | 0.97Å | 0.95Å | |
| O37 | H34 | sing | 0.97Å | 0.95Å | |
| O38 | H35 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O33 | C19 | N29 | 129.8° | 120.0° |
| O33 | C19 | H23 | 115.1° | 120.0° |
| C19 | N29 | C15 | 114.1° | 120.7° |
| C19 | N29 | C20 | 121.2° | 120.7° |
| N29 | C19 | H23 | 115.1° | 120.0° |
| O37 | C26 | C25 | 106.9° | 109.5° |
| O37 | C26 | C27 | 107.7° | 109.5° |
| O37 | C26 | H27 | 110.0° | 109.5° |
| C26 | O37 | H34 | 109.5° | 114.0° |
| N32 | C24 | C25 | 113.5° | 109.5° |
| C24 | N32 | C21 | 124.4° | 120.1° |
| C24 | N32 | C14 | 116.1° | 120.2° |
| N32 | C24 | H24 | 108.4° | 109.4° |
| N32 | C24 | H25 | 108.5° | 109.5° |
| C24 | C25 | C26 | 108.1° | 109.5° |
| C24 | C25 | O36 | 107.9° | 109.5° |
| C25 | C24 | H24 | 108.5° | 109.5° |
| C25 | C24 | H25 | 108.5° | 109.5° |
| C24 | C25 | H26 | 110.2° | 109.5° |
| C15 | N29 | C20 | 117.6° | 118.6° |
| N29 | C15 | C14 | 118.2° | 119.2° |
| N29 | C15 | C16 | 118.5° | 120.7° |
| N29 | C20 | C21 | 120.2° | 119.9° |
| N29 | C20 | C23 | 121.3° | 120.8° |
| C21 | N32 | C14 | 117.3° | 119.7° |
| N32 | C21 | C20 | 118.8° | 120.2° |
| N32 | C21 | N30 | 121.1° | 120.6° |
| N32 | C14 | C15 | 117.4° | 119.6° |
| N32 | C14 | C13 | 126.0° | 120.6° |
| C14 | C15 | C16 | 123.3° | 120.0° |
| C15 | C14 | C13 | 116.6° | 119.8° |
| C15 | C16 | C17 | 119.3° | 119.8° |
| C15 | C16 | H19 | 120.3° | 120.0° |
| C21 | C20 | C23 | 118.4° | 119.3° |
| C20 | C21 | N30 | 120.0° | 119.2° |
| C20 | C23 | N31 | 115.3° | 119.3° |
| C20 | C23 | O35 | 121.2° | 120.4° |
| C21 | N30 | C22 | 124.8° | 120.1° |
| C21 | N30 | H31 | 117.6° | 119.9° |
| C14 | C13 | C12 | 121.1° | 119.9° |
| C14 | C13 | H18 | 119.5° | 120.1° |
| C16 | C17 | C12 | 118.9° | 120.2° |
| C16 | C17 | C18 | 118.0° | 119.9° |
| C17 | C16 | H19 | 120.3° | 120.2° |
| N30 | C22 | N31 | 114.2° | 121.4° |
| N30 | C22 | O34 | 122.6° | 119.3° |
| C22 | N30 | H31 | 117.6° | 119.9° |
| C13 | C12 | C17 | 120.7° | 120.3° |
| C13 | C12 | C11 | 118.9° | 119.8° |
| C12 | C13 | H18 | 119.4° | 120.0° |
| N31 | C23 | O35 | 123.1° | 120.3° |
| C23 | N31 | C22 | 125.6° | 120.7° |
| C23 | N31 | H32 | 117.2° | 119.7° |
| N31 | C22 | O34 | 123.2° | 119.4° |
| C22 | N31 | H32 | 117.2° | 119.6° |
| C12 | C17 | C18 | 123.1° | 119.9° |
| C17 | C12 | C11 | 120.4° | 119.9° |
| C17 | C18 | H20 | 109.5° | 109.4° |
| C17 | C18 | H21 | 109.5° | 109.5° |
| C17 | C18 | H22 | 109.5° | 109.4° |
| C12 | C11 | H15 | 109.5° | 109.5° |
| C12 | C11 | H16 | 109.4° | 109.4° |
| C12 | C11 | H17 | 109.4° | 109.5° |
| C25 | C26 | C27 | 115.0° | 109.5° |
| C26 | C25 | O36 | 108.5° | 109.4° |
| C26 | C25 | H26 | 110.3° | 109.5° |
| C25 | C26 | H27 | 108.7° | 109.4° |
| C26 | C27 | C28 | 107.9° | 109.5° |
| C26 | C27 | O38 | 111.1° | 109.5° |
| C27 | C26 | H27 | 108.5° | 109.4° |
| C26 | C27 | H28 | 109.6° | 109.4° |
| O36 | C25 | H26 | 111.7° | 109.5° |
| C25 | O36 | H33 | 109.5° | 114.0° |
| O2B | PB | O3A | 106.9° | 109.4° |
| O2B | PB | O1B | 109.1° | 109.5° |
| O2B | PB | O3B | 121.6° | 109.5° |
| C27 | C28 | O1B | 110.8° | 109.5° |
| C28 | C27 | O38 | 107.2° | 109.5° |
| C28 | C27 | H28 | 109.8° | 109.5° |
| C27 | C28 | H29 | 109.1° | 109.5° |
| C27 | C28 | H30 | 109.1° | 109.4° |
| C28 | O1B | PB | 116.2° | 123.0° |
| O1B | C28 | H29 | 109.1° | 109.5° |
| O1B | C28 | H30 | 109.1° | 109.5° |
| O38 | C27 | H28 | 111.2° | 109.5° |
| C27 | O38 | H35 | 109.5° | 114.0° |
| O3A | PB | O1B | 102.1° | 109.5° |
| O3A | PB | O3B | 106.6° | 109.5° |
| PB | O3A | PA | 128.7° | 134.0° |
| O1B | PB | O3B | 108.8° | 109.5° |
| PB | O3B | H2 | 109.5° | 114.0° |
| O3A | PA | O2A | 107.8° | 109.5° |
| O3A | PA | O1A | 108.8° | 109.5° |
| O3A | PA | O5' | 98.9° | 109.5° |
| O2A | PA | O1A | 122.3° | 109.5° |
| O2A | PA | O5' | 109.4° | 109.5° |
| O1A | PA | O5' | 107.2° | 109.5° |
| PA | O1A | H1 | 109.5° | 114.0° |
| PA | O5' | C5' | 117.6° | 123.0° |
| O5' | C5' | C4' | 107.0° | 109.4° |
| O5' | C5' | H3 | 110.1° | 109.5° |
| O5' | C5' | H4 | 110.1° | 109.4° |
| C5' | C4' | O4' | 109.2° | 110.4° |
| C5' | C4' | C3' | 111.1° | 110.3° |
| C4' | C5' | H3 | 110.1° | 109.5° |
| C4' | C5' | H4 | 110.1° | 109.5° |
| C5' | C4' | H5 | 109.6° | 110.4° |
| C8 | N7 | C5 | 105.9° | 109.4° |
| N7 | C8 | N9 | 110.6° | 110.0° |
| N7 | C8 | H11 | 124.7° | 125.0° |
| N7 | C5 | C6 | 132.1° | 134.7° |
| N7 | C5 | C4 | 110.2° | 107.1° |
| C8 | N9 | C1' | 128.1° | 126.3° |
| C8 | N9 | C4 | 108.0° | 107.5° |
| N9 | C8 | H11 | 124.7° | 125.0° |
| N6 | C6 | C5 | 122.2° | 120.8° |
| N6 | C6 | N1 | 120.1° | 120.7° |
| C6 | N6 | H13 | 109.5° | 119.9° |
| C6 | N6 | H14 | 109.5° | 120.0° |
| C4' | O4' | C1' | 105.6° | 105.3° |
| O4' | C4' | C3' | 106.3° | 104.8° |
| O4' | C4' | H5 | 110.9° | 110.4° |
| O4' | C1' | N9 | 106.5° | 110.5° |
| O4' | C1' | C2' | 103.4° | 104.8° |
| O4' | C1' | H10 | 110.9° | 110.3° |
| C6 | C5 | C4 | 117.7° | 118.2° |
| C5 | C6 | N1 | 117.7° | 118.5° |
| C5 | C4 | N9 | 105.3° | 106.0° |
| C5 | C4 | N3 | 127.0° | 119.0° |
| C4' | C3' | C2' | 104.7° | 104.1° |
| C4' | C3' | O3' | 108.2° | 110.6° |
| C3' | C4' | H5 | 109.7° | 110.3° |
| C4' | C3' | H6 | 110.3° | 110.5° |
| C1' | N9 | C4 | 123.9° | 126.2° |
| N9 | C1' | C2' | 115.1° | 110.4° |
| N9 | C1' | H10 | 110.7° | 110.4° |
| N9 | C4 | N3 | 127.6° | 135.0° |
| C6 | N1 | C2 | 118.3° | 121.2° |
| C3' | C2' | C1' | 100.4° | 104.1° |
| C3' | C2' | O2' | 111.6° | 110.6° |
| C2' | C3' | O3' | 111.3° | 110.5° |
| C2' | C3' | H6 | 110.4° | 110.6° |
| C3' | C2' | H8 | 110.1° | 110.5° |
| C1' | C2' | O2' | 112.5° | 110.5° |
| C1' | C2' | H8 | 110.3° | 110.5° |
| C2' | C1' | H10 | 110.0° | 110.4° |
| O2' | C2' | H8 | 111.5° | 110.5° |
| C2' | O2' | H9 | 109.5° | 113.9° |
| O3' | C3' | H6 | 111.7° | 110.4° |
| C3' | O3' | H7 | 109.5° | 114.0° |
| C4 | N3 | C2 | 109.9° | 120.7° |
| N1 | C2 | N3 | 129.4° | 122.5° |
| N1 | C2 | H12 | 115.3° | 118.8° |
| N3 | C2 | H12 | 115.3° | 118.8° |
| H3 | C5' | H4 | 109.5° | 109.5° |
| H13 | N6 | H14 | 109.5° | 120.1° |
| H15 | C11 | H16 | 109.5° | 109.4° |
| H15 | C11 | H17 | 109.5° | 109.5° |
| H16 | C11 | H17 | 109.5° | 109.5° |
| H20 | C18 | H21 | 109.4° | 109.5° |
| H20 | C18 | H22 | 109.5° | 109.5° |
| H21 | C18 | H22 | 109.5° | 109.5° |
| H24 | C24 | H25 | 109.4° | 109.4° |
| H29 | C28 | H30 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O33 | C19 | N29 | H23 | 180.0° | 180.0° |
| O33 | C19 | N29 | C15 | 145.3° | 5.1° |
| O33 | C19 | N29 | C20 | 4.5° | 174.9° |
| C19 | N29 | C15 | C20 | 151.0° | 180.0° |
| C19 | N29 | C15 | C14 | 126.0° | 166.8° |
| C19 | N29 | C15 | C16 | 54.3° | 13.3° |
| C19 | N29 | C20 | C21 | 121.9° | 166.7° |
| C19 | N29 | C20 | C23 | 59.3° | 13.4° |
| O37 | C26 | C25 | C24 | 56.1° | 60.0° |
| O37 | C26 | C25 | C27 | 119.5° | 120.0° |
| O37 | C26 | C25 | H27 | 118.7° | 120.1° |
| O37 | C26 | C27 | H27 | 119.0° | 120.0° |
| O37 | C26 | C25 | O36 | 172.9° | 180.0° |
| O37 | C26 | C27 | C28 | 80.0° | 60.0° |
| O37 | C26 | C27 | O38 | 162.7° | 180.0° |
| O37 | C26 | C25 | H26 | 64.5° | 60.0° |
| O37 | C26 | C27 | H28 | 39.5° | 60.0° |
| N32 | C24 | C25 | H24 | 120.6° | 120.0° |
| N32 | C24 | C25 | H25 | 120.6° | 120.0° |
| C24 | N32 | C21 | C14 | 162.2° | 180.0° |
| C24 | N32 | C14 | C15 | 170.2° | 166.3° |
| C24 | N32 | C21 | C20 | 172.6° | 166.3° |
| C24 | N32 | C21 | N30 | 8.1° | 13.8° |
| C24 | N32 | C14 | C13 | 9.3° | 13.8° |
| N32 | C24 | C25 | C26 | 168.2° | 179.0° |
| N32 | C24 | C25 | O36 | 51.0° | 59.0° |
| N32 | C24 | H24 | H25 | 118.2° | 119.9° |
| N32 | C24 | C25 | H26 | 71.2° | 61.0° |
| C25 | C24 | N32 | C21 | 63.8° | 84.6° |
| C25 | C24 | N32 | C14 | 98.6° | 95.4° |
| C24 | C25 | C26 | O36 | 116.8° | 120.0° |
| C24 | C25 | C26 | H26 | 120.6° | 120.0° |
| C24 | C25 | C26 | C27 | 175.5° | 180.0° |
| C24 | C25 | O36 | H26 | 121.3° | 120.0° |
| C25 | C24 | H24 | H25 | 118.2° | 120.1° |
| C24 | C25 | C26 | H27 | 62.6° | 60.0° |
| C24 | C25 | O36 | H33 | 180.0° | 64.7° |
| N29 | C15 | C14 | N32 | 1.1° | 0.1° |
| N29 | C15 | C14 | C16 | 179.8° | 179.9° |
| C15 | N29 | C20 | C21 | 26.9° | 13.3° |
| C15 | N29 | C20 | C23 | 151.9° | 166.6° |
| N29 | C15 | C14 | C13 | 179.4° | 179.8° |
| N29 | C15 | C16 | C17 | 179.8° | 179.9° |
| N29 | C15 | C16 | H19 | 0.2° | 0.2° |
| C15 | N29 | C19 | H23 | 34.7° | 174.9° |
| N29 | C20 | C21 | N32 | 1.2° | 0.1° |
| C20 | N29 | C15 | C14 | 25.0° | 13.2° |
| C20 | N29 | C15 | C16 | 154.8° | 166.7° |
| N29 | C20 | C21 | C23 | 178.8° | 179.9° |
| N29 | C20 | C21 | N30 | 179.4° | 179.8° |
| N29 | C20 | C23 | N31 | 171.5° | 179.9° |
| N29 | C20 | C23 | O35 | 14.6° | 0.2° |
| C20 | N29 | C19 | H23 | 175.5° | 5.1° |
| C21 | N32 | C14 | C15 | 26.2° | 13.7° |
| N32 | C21 | C20 | N30 | 179.3° | 180.0° |
| N32 | C21 | C20 | C23 | 177.5° | 179.9° |
| C21 | N32 | C14 | C13 | 154.4° | 166.2° |
| N32 | C21 | N30 | C22 | 170.1° | 180.0° |
| C21 | N32 | C24 | H24 | 56.8° | 155.3° |
| C21 | N32 | C24 | H25 | 175.5° | 35.4° |
| N32 | C21 | N30 | H31 | 9.8° | 0.0° |
| N32 | C14 | C15 | C13 | 179.5° | 179.9° |
| N32 | C14 | C15 | C16 | 179.1° | 180.0° |
| C14 | N32 | C21 | C20 | 25.2° | 13.7° |
| C14 | N32 | C21 | N30 | 154.1° | 166.3° |
| N32 | C14 | C13 | C12 | 179.3° | 180.0° |
| N32 | C14 | C13 | H18 | 0.7° | 0.0° |
| C14 | N32 | C24 | H24 | 140.8° | 24.7° |
| C14 | N32 | C24 | H25 | 22.1° | 144.6° |
| C14 | C15 | C16 | C17 | 0.0° | 0.2° |
| C15 | C14 | C13 | C12 | 0.1° | 0.0° |
| C15 | C14 | C13 | H18 | 179.8° | 180.0° |
| C14 | C15 | C16 | H19 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 0.4° | 0.0° |
| C15 | C16 | C17 | H19 | 180.0° | 179.7° |
| C15 | C16 | C17 | C12 | 0.6° | 0.5° |
| C15 | C16 | C17 | C18 | 179.8° | 180.0° |
| C20 | C21 | N30 | C22 | 10.5° | 0.0° |
| C21 | C20 | C23 | N31 | 9.8° | 0.1° |
| C21 | C20 | C23 | O35 | 164.2° | 179.9° |
| C20 | C21 | N30 | H31 | 169.5° | 180.0° |
| C23 | C20 | C21 | N30 | 1.8° | 0.1° |
| C20 | C23 | N31 | O35 | 173.8° | 180.0° |
| C20 | C23 | N31 | C22 | 7.0° | 0.0° |
| C20 | C23 | N31 | H32 | 173.0° | 180.0° |
| C21 | N30 | C22 | H31 | 180.0° | 180.0° |
| C21 | N30 | C22 | N31 | 13.2° | 0.0° |
| C21 | N30 | C22 | O34 | 168.7° | 179.9° |
| C14 | C13 | C12 | H18 | 180.0° | 180.0° |
| C14 | C13 | C12 | C17 | 0.4° | 0.3° |
| C14 | C13 | C12 | C11 | 179.8° | 180.0° |
| C16 | C17 | C12 | C13 | 0.8° | 0.5° |
| C16 | C17 | C12 | C18 | 179.6° | 179.5° |
| C16 | C17 | C12 | C11 | 179.8° | 179.7° |
| C16 | C17 | C18 | H20 | 89.8° | 90.0° |
| C16 | C17 | C18 | H21 | 150.2° | 150.0° |
| C16 | C17 | C18 | H22 | 30.2° | 30.0° |
| N30 | C22 | N31 | C23 | 3.8° | 0.1° |
| N30 | C22 | N31 | O34 | 178.1° | 179.9° |
| N30 | C22 | N31 | H32 | 176.2° | 180.0° |
| C13 | C12 | C17 | C11 | 179.4° | 179.8° |
| C13 | C12 | C17 | C18 | 179.6° | 180.0° |
| C13 | C12 | C11 | H15 | 89.7° | 90.0° |
| C13 | C12 | C11 | H16 | 150.3° | 150.0° |
| C13 | C12 | C11 | H17 | 30.3° | 30.0° |
| C23 | N31 | C22 | H32 | 180.0° | 180.0° |
| C23 | N31 | C22 | O34 | 178.1° | 179.8° |
| O35 | C23 | N31 | C22 | 166.8° | 180.0° |
| O35 | C23 | N31 | H32 | 13.2° | 0.1° |
| N31 | C22 | N30 | H31 | 166.8° | 179.9° |
| O34 | C22 | N30 | H31 | 11.3° | 0.2° |
| O34 | C22 | N31 | H32 | 1.9° | 0.1° |
| C17 | C12 | C11 | H15 | 89.7° | 90.2° |
| C17 | C12 | C11 | H16 | 30.3° | 29.7° |
| C17 | C12 | C11 | H17 | 150.3° | 149.7° |
| C17 | C12 | C13 | H18 | 179.6° | 179.7° |
| C12 | C17 | C16 | H19 | 179.4° | 179.8° |
| C12 | C17 | C18 | H20 | 89.8° | 90.5° |
| C12 | C17 | C18 | H21 | 30.2° | 29.5° |
| C12 | C17 | C18 | H22 | 150.2° | 149.5° |
| C18 | C17 | C12 | C11 | 0.2° | 0.2° |
| C18 | C17 | C16 | H19 | 0.3° | 0.3° |
| C17 | C18 | H20 | H21 | 120.0° | 120.0° |
| C17 | C18 | H20 | H22 | 120.0° | 119.9° |
| C17 | C18 | H21 | H22 | 120.0° | 120.0° |
| C12 | C11 | H15 | H16 | 120.0° | 119.9° |
| C12 | C11 | H15 | H17 | 120.0° | 120.1° |
| C12 | C11 | H16 | H17 | 120.0° | 120.0° |
| C11 | C12 | C13 | H18 | 0.2° | 0.0° |
| C25 | C26 | C27 | H27 | 121.9° | 119.9° |
| C26 | C25 | O36 | H26 | 121.8° | 120.0° |
| C25 | C26 | C27 | C28 | 160.9° | 180.0° |
| C25 | C26 | C27 | O38 | 43.6° | 60.0° |
| C26 | C25 | C24 | H24 | 71.2° | 59.0° |
| C26 | C25 | C24 | H25 | 47.5° | 61.0° |
| C25 | C26 | C27 | H28 | 79.6° | 60.0° |
| C26 | C25 | O36 | H33 | 63.1° | 55.3° |
| C25 | C26 | O37 | H34 | 180.0° | 60.0° |
| C27 | C26 | C25 | O36 | 67.7° | 60.0° |
| C26 | C27 | C28 | O38 | 119.8° | 120.0° |
| C26 | C27 | C28 | H28 | 119.4° | 120.0° |
| C26 | C27 | C28 | O1B | 178.8° | 175.0° |
| C26 | C27 | O38 | H28 | 122.3° | 120.0° |
| C27 | C26 | C25 | H26 | 55.0° | 60.0° |
| C26 | C27 | C28 | H29 | 58.6° | 65.0° |
| C26 | C27 | C28 | H30 | 60.9° | 55.0° |
| C27 | C26 | O37 | H34 | 55.9° | 60.1° |
| C26 | C27 | O38 | H35 | 180.0° | 60.1° |
| O36 | C25 | C24 | H24 | 171.6° | 61.0° |
| O36 | C25 | C24 | H25 | 69.6° | 179.0° |
| O36 | C25 | C26 | H27 | 54.2° | 59.9° |
| O2B | PB | O1B | C28 | 49.4° | 55.0° |
| O2B | PB | O3A | O1B | 114.5° | 120.0° |
| O2B | PB | O3A | O3B | 131.4° | 120.0° |
| O2B | PB | O1B | O3B | 134.7° | 120.0° |
| O2B | PB | O3A | PA | 175.1° | 40.0° |
| O2B | PB | O3B | H2 | 0.0° | 179.9° |
| C27 | C28 | O1B | H29 | 120.2° | 120.0° |
| C27 | C28 | O1B | H30 | 120.2° | 120.0° |
| C28 | C27 | O38 | H28 | 120.0° | 120.0° |
| C27 | C28 | O1B | PB | 164.9° | 180.0° |
| C28 | C27 | C26 | H27 | 39.0° | 60.0° |
| C27 | C28 | H29 | H30 | 119.4° | 119.9° |
| C28 | C27 | O38 | H35 | 62.3° | 60.0° |
| O1B | C28 | C27 | O38 | 61.4° | 65.0° |
| C28 | O1B | PB | O3A | 63.5° | 175.0° |
| C28 | O1B | PB | O3B | 175.9° | 65.0° |
| O1B | C28 | C27 | H28 | 59.5° | 55.0° |
| O1B | C28 | H29 | H30 | 119.4° | 120.0° |
| O38 | C27 | C26 | H27 | 78.3° | 60.0° |
| O38 | C27 | C28 | H29 | 178.4° | 55.0° |
| O38 | C27 | C28 | H30 | 58.8° | 175.0° |
| O3A | PB | O1B | O3B | 112.4° | 120.1° |
| PB | O3A | PA | O2A | 162.8° | 40.0° |
| PB | O3A | PA | O1A | 28.3° | 80.0° |
| PB | O3A | PA | O5' | 83.4° | 160.0° |
| O3A | PB | O3B | H2 | 122.7° | 60.0° |
| O1B | PB | O3A | PA | 60.7° | 160.0° |
| O1B | PB | O3B | H2 | 127.9° | 60.1° |
| PB | O1B | C28 | H29 | 44.7° | 60.0° |
| PB | O1B | C28 | H30 | 74.9° | 60.0° |
| O3B | PB | O3A | PA | 53.4° | 80.0° |
| O3A | PA | O2A | O1A | 127.0° | 120.0° |
| O3A | PA | O2A | O5' | 106.6° | 120.0° |
| O3A | PA | O1A | O5' | 106.0° | 120.0° |
| O3A | PA | O5' | C5' | 88.4° | 175.0° |
| O3A | PA | O1A | H1 | 126.6° | 60.0° |
| O2A | PA | O1A | O5' | 127.3° | 120.0° |
| O2A | PA | O5' | C5' | 24.1° | 55.0° |
| O2A | PA | O1A | H1 | 0.0° | 180.0° |
| O1A | PA | O5' | C5' | 158.7° | 65.1° |
| PA | O5' | C5' | C4' | 129.1° | 180.0° |
| O5' | PA | O1A | H1 | 127.4° | 60.0° |
| PA | O5' | C5' | H3 | 111.3° | 60.0° |
| PA | O5' | C5' | H4 | 9.4° | 60.1° |
| O5' | C5' | C4' | H3 | 119.6° | 120.0° |
| O5' | C5' | C4' | H4 | 119.6° | 119.9° |
| O5' | C5' | C4' | O4' | 174.9° | 69.6° |
| O5' | C5' | C4' | C3' | 68.2° | 174.9° |
| O5' | C5' | H3 | H4 | 121.1° | 120.0° |
| O5' | C5' | C4' | H5 | 53.2° | 52.7° |
| C5' | C4' | O4' | C3' | 120.0° | 118.8° |
| C5' | C4' | O4' | H5 | 120.9° | 122.3° |
| C5' | C4' | O4' | C1' | 143.9° | 159.3° |
| C5' | C4' | C3' | H5 | 121.3° | 122.2° |
| C5' | C4' | C3' | C2' | 115.3° | 142.8° |
| C5' | C4' | C3' | O3' | 125.9° | 98.5° |
| C4' | C5' | H3 | H4 | 121.2° | 120.0° |
| C5' | C4' | C3' | H6 | 3.4° | 24.1° |
| N7 | C8 | N9 | H11 | 180.0° | 179.5° |
| C8 | N7 | C5 | C6 | 179.8° | 179.7° |
| C8 | N7 | C5 | C4 | 0.0° | 0.3° |
| N7 | C8 | N9 | C1' | 178.9° | 179.8° |
| N7 | C8 | N9 | C4 | 0.4° | 0.5° |
| C5 | N7 | C8 | N9 | 0.3° | 0.5° |
| N7 | C5 | C6 | N6 | 0.2° | 0.0° |
| N7 | C5 | C6 | C4 | 179.9° | 180.0° |
| N7 | C5 | C4 | N9 | 0.2° | 0.0° |
| N7 | C5 | C6 | N1 | 179.8° | 179.9° |
| N7 | C5 | C4 | N3 | 180.0° | 180.0° |
| C5 | N7 | C8 | H11 | 179.8° | 180.0° |
| C8 | N9 | C1' | O4' | 78.6° | 20.1° |
| C8 | N9 | C4 | C5 | 0.3° | 0.3° |
| C8 | N9 | C1' | C4 | 178.3° | 179.7° |
| C8 | N9 | C1' | C2' | 35.3° | 95.3° |
| C8 | N9 | C4 | N3 | 179.9° | 179.8° |
| C8 | N9 | C1' | H10 | 160.8° | 142.4° |
| N6 | C6 | C5 | N1 | 179.9° | 179.9° |
| N6 | C6 | C5 | C4 | 180.0° | 180.0° |
| N6 | C6 | N1 | C2 | 179.7° | 179.9° |
| C6 | N6 | H13 | H14 | 120.0° | 180.0° |
| O4' | C4' | C3' | H5 | 120.0° | 118.9° |
| C4' | O4' | C1' | N9 | 164.2° | 159.4° |
| O4' | C4' | C3' | C2' | 3.4° | 23.9° |
| C4' | O4' | C1' | C2' | 42.6° | 40.5° |
| O4' | C4' | C3' | O3' | 115.4° | 142.6° |
| O4' | C4' | C5' | H3 | 55.3° | 50.4° |
| O4' | C4' | C5' | H4 | 65.5° | 170.4° |
| O4' | C4' | C3' | H6 | 122.1° | 94.8° |
| C4' | O4' | C1' | H10 | 75.3° | 78.3° |
| C1' | O4' | C4' | C3' | 24.0° | 40.5° |
| O4' | C1' | N9 | C2' | 113.9° | 115.4° |
| O4' | C1' | N9 | H10 | 120.6° | 122.3° |
| O4' | C1' | N9 | C4 | 99.8° | 159.6° |
| O4' | C1' | C2' | C3' | 42.9° | 24.0° |
| O4' | C1' | C2' | H10 | 118.5° | 118.8° |
| O4' | C1' | C2' | O2' | 161.6° | 142.7° |
| C1' | O4' | C4' | H5 | 95.2° | 78.4° |
| O4' | C1' | C2' | H8 | 73.2° | 94.7° |
| C6 | C5 | C4 | N9 | 179.9° | 180.0° |
| C6 | C5 | C4 | N3 | 0.2° | 0.0° |
| C5 | C6 | N1 | C2 | 0.3° | 0.1° |
| C5 | C6 | N6 | H13 | 179.9° | 0.0° |
| C5 | C6 | N6 | H14 | 59.9° | 180.0° |
| C5 | C4 | N9 | C1' | 179.0° | 180.0° |
| C5 | C4 | N9 | N3 | 179.8° | 180.0° |
| C4 | C5 | C6 | N1 | 0.1° | 0.1° |
| C5 | C4 | N3 | C2 | 0.1° | 0.0° |
| C4' | C3' | C2' | O3' | 116.6° | 118.7° |
| C4' | C3' | C2' | H6 | 118.7° | 118.7° |
| C4' | C3' | C2' | C1' | 27.7° | 0.0° |
| C4' | C3' | C2' | O2' | 147.1° | 118.7° |
| C4' | C3' | O3' | H6 | 121.6° | 122.6° |
| C3' | C4' | C5' | H3 | 172.2° | 65.1° |
| C3' | C4' | C5' | H4 | 51.4° | 55.0° |
| C4' | C3' | O3' | H7 | 180.0° | 180.0° |
| C4' | C3' | C2' | H8 | 88.6° | 118.6° |
| N9 | C1' | C2' | C3' | 158.5° | 142.9° |
| N9 | C1' | C2' | H10 | 125.8° | 122.3° |
| N9 | C1' | C2' | O2' | 82.7° | 98.4° |
| C1' | N9 | C4 | N3 | 1.3° | 0.0° |
| N9 | C1' | C2' | H8 | 42.4° | 24.2° |
| C1' | N9 | C8 | H11 | 1.1° | 0.3° |
| C4 | N9 | C1' | C2' | 146.3° | 85.0° |
| N9 | C4 | N3 | C2 | 179.9° | 180.0° |
| C4 | N9 | C1' | H10 | 20.9° | 37.2° |
| C4 | N9 | C8 | H11 | 179.6° | 179.9° |
| C6 | N1 | C2 | N3 | 0.4° | 0.1° |
| C6 | N1 | C2 | H12 | 179.6° | 179.9° |
| N1 | C6 | N6 | H13 | 0.0° | 180.0° |
| N1 | C6 | N6 | H14 | 120.0° | 0.0° |
| C3' | C2' | C1' | O2' | 118.8° | 118.7° |
| C3' | C2' | C1' | H8 | 116.1° | 118.7° |
| C3' | C2' | O2' | H8 | 123.5° | 122.7° |
| C2' | C3' | O3' | H6 | 123.9° | 122.7° |
| C2' | C3' | C4' | H5 | 123.4° | 95.0° |
| C2' | C3' | O3' | H7 | 65.5° | 65.3° |
| C3' | C2' | O2' | H9 | 180.0° | 61.4° |
| C3' | C2' | C1' | H10 | 75.6° | 94.8° |
| C1' | C2' | O2' | H8 | 124.5° | 122.6° |
| C1' | C2' | C3' | O3' | 88.9° | 118.7° |
| C1' | C2' | C3' | H6 | 146.4° | 118.7° |
| C1' | C2' | O2' | H9 | 68.1° | 176.1° |
| O2' | C2' | C3' | O3' | 30.5° | 0.0° |
| O2' | C2' | C3' | H6 | 94.2° | 122.6° |
| O2' | C2' | C1' | H10 | 43.2° | 23.9° |
| O3' | C3' | C4' | H5 | 4.6° | 23.7° |
| O3' | C3' | C2' | H8 | 154.8° | 122.7° |
| C4 | N3 | C2 | N1 | 0.2° | 0.0° |
| C4 | N3 | C2 | H12 | 179.8° | 180.0° |
| N1 | C2 | N3 | H12 | 180.0° | 180.0° |
| H3 | C5' | C4' | H5 | 66.4° | 172.7° |
| H4 | C5' | C4' | H5 | 172.8° | 67.2° |
| H5 | C4' | C3' | H6 | 117.9° | 146.3° |
| H6 | C3' | O3' | H7 | 58.4° | 57.4° |
| H6 | C3' | C2' | H8 | 30.1° | 0.1° |
| H8 | C2' | O2' | H9 | 56.5° | 61.3° |
| H8 | C2' | C1' | H10 | 168.3° | 146.5° |
| H15 | C11 | H16 | H17 | 120.0° | 120.0° |
| H20 | C18 | H21 | H22 | 120.0° | 120.0° |
| H24 | C24 | C25 | H26 | 49.4° | 179.0° |
| H25 | C24 | C25 | H26 | 168.2° | 59.0° |
| H26 | C25 | C26 | H27 | 176.8° | 180.0° |
| H26 | C25 | O36 | H33 | 58.8° | 175.3° |
| H27 | C26 | C27 | H28 | 158.5° | 180.0° |
| H27 | C26 | O37 | H34 | 62.1° | 180.0° |
| H28 | C27 | C28 | H29 | 60.7° | 175.0° |
| H28 | C27 | C28 | H30 | 179.7° | 65.0° |
| H28 | C27 | O38 | H35 | 57.7° | 180.0° |
