52N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C6 | sing | 1.53Å | 1.51Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | O1 | sing | 1.43Å | 1.44Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O1 | P1 | sing | 1.61Å | 1.61Å | |
| O13 | P1 | sing | 1.61Å | 1.61Å | |
| P1 | O11 | doub | 1.48Å | 1.51Å | |
| P1 | O12 | sing | 1.61Å | 1.50Å | |
| O2 | C2 | sing | 1.43Å | 1.43Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C4 | C3 | sing | 1.53Å | 1.55Å | |
| O3 | C3 | sing | 1.43Å | 1.43Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | P3 | sing | 1.61Å | 1.62Å | |
| O33 | P3 | doub | 1.48Å | 1.51Å | |
| P3 | O31 | sing | 1.61Å | 1.52Å | |
| P3 | O32 | sing | 1.61Å | 1.51Å | |
| O4 | C4 | sing | 1.43Å | 1.43Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| P4 | O4 | sing | 1.61Å | 1.63Å | |
| O42 | P4 | doub | 1.48Å | 1.51Å | |
| P4 | O43 | sing | 1.61Å | 1.52Å | |
| P4 | O41 | sing | 1.61Å | 1.52Å | |
| O5 | C5 | sing | 1.43Å | 1.43Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| O6 | C6 | sing | 1.43Å | 1.43Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| O13 | C7 | sing | 1.43Å | 1.42Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| O14 | C8 | sing | 1.45Å | 1.42Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | O15 | sing | 1.45Å | 1.41Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| O15 | C10 | sing | 1.34Å | 1.45Å | |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C10 | O16 | doub | 1.21Å | 1.22Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| O12 | HO12 | sing | 0.97Å | 0.95Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C18 | O14 | sing | 1.34Å | 1.46Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.51Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C17 | H17B | sing | 1.09Å | 1.10Å | |
| C18 | O17 | doub | 1.21Å | 1.22Å | |
| C19 | C18 | sing | 1.51Å | 1.51Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.53Å | 1.51Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C25 | H25B | sing | 1.09Å | 1.10Å | |
| O31 | HO31 | sing | 0.97Å | 0.95Å | |
| O32 | HO32 | sing | 0.97Å | 0.95Å | |
| O41 | HO41 | sing | 0.97Å | 0.95Å | |
| O43 | HO43 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C1 | C2 | 114.6° | 109.5° |
| C6 | C1 | O1 | 103.2° | 109.4° |
| C6 | C1 | H1 | 107.3° | 109.5° |
| C1 | C6 | C5 | 116.7° | 109.5° |
| C1 | C6 | O6 | 104.7° | 109.5° |
| C1 | C6 | H6 | 108.1° | 109.5° |
| C2 | C1 | O1 | 115.9° | 109.5° |
| C2 | C1 | H1 | 107.2° | 109.5° |
| C1 | C2 | O2 | 106.2° | 109.5° |
| C1 | C2 | C3 | 116.0° | 109.5° |
| C1 | C2 | H2 | 107.8° | 109.5° |
| O1 | C1 | H1 | 108.2° | 109.4° |
| C1 | O1 | P1 | 133.1° | 123.0° |
| O1 | P1 | O13 | 101.8° | 109.5° |
| O1 | P1 | O11 | 105.6° | 109.5° |
| O1 | P1 | O12 | 110.5° | 109.4° |
| O13 | P1 | O11 | 106.6° | 109.4° |
| O13 | P1 | O12 | 113.2° | 109.5° |
| P1 | O13 | C7 | 121.7° | 123.0° |
| O11 | P1 | O12 | 117.7° | 109.5° |
| P1 | O12 | HO12 | 109.5° | 114.0° |
| O2 | C2 | C3 | 110.1° | 109.4° |
| O2 | C2 | H2 | 108.9° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C3 | C2 | H2 | 107.6° | 109.5° |
| C2 | C3 | C4 | 119.2° | 109.5° |
| C2 | C3 | O3 | 108.1° | 109.5° |
| C2 | C3 | H3 | 106.1° | 109.5° |
| C4 | C3 | O3 | 109.3° | 109.5° |
| C4 | C3 | H3 | 106.1° | 109.4° |
| C3 | C4 | O4 | 111.7° | 109.5° |
| C3 | C4 | C5 | 116.4° | 109.4° |
| C3 | C4 | H4 | 105.0° | 109.4° |
| O3 | C3 | H3 | 107.4° | 109.5° |
| C3 | O3 | P3 | 122.0° | 123.0° |
| O3 | P3 | O33 | 100.8° | 109.4° |
| O3 | P3 | O31 | 104.2° | 109.5° |
| O3 | P3 | O32 | 108.1° | 109.5° |
| O33 | P3 | O31 | 115.3° | 109.5° |
| O33 | P3 | O32 | 113.5° | 109.5° |
| O31 | P3 | O32 | 113.4° | 109.5° |
| P3 | O31 | HO31 | 109.5° | 114.0° |
| P3 | O32 | HO32 | 109.5° | 114.0° |
| O4 | C4 | C5 | 111.3° | 109.5° |
| O4 | C4 | H4 | 106.3° | 109.5° |
| C4 | O4 | P4 | 124.4° | 123.0° |
| C5 | C4 | H4 | 105.1° | 109.5° |
| C4 | C5 | O5 | 111.8° | 109.5° |
| C4 | C5 | C6 | 114.3° | 109.5° |
| C4 | C5 | H5 | 106.0° | 109.4° |
| O4 | P4 | O42 | 103.6° | 109.5° |
| O4 | P4 | O43 | 100.6° | 109.5° |
| O4 | P4 | O41 | 109.1° | 109.5° |
| O42 | P4 | O43 | 115.5° | 109.5° |
| O42 | P4 | O41 | 111.3° | 109.5° |
| O43 | P4 | O41 | 115.2° | 109.4° |
| P4 | O43 | HO43 | 109.5° | 114.0° |
| P4 | O41 | HO41 | 109.5° | 114.0° |
| O5 | C5 | C6 | 111.0° | 109.5° |
| O5 | C5 | H5 | 107.2° | 109.4° |
| C5 | O5 | HO5 | 109.5° | 114.0° |
| C6 | C5 | H5 | 106.0° | 109.5° |
| C5 | C6 | O6 | 110.2° | 109.5° |
| C5 | C6 | H6 | 107.8° | 109.4° |
| O6 | C6 | H6 | 109.2° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| O13 | C7 | C8 | 113.3° | 109.5° |
| O13 | C7 | H7 | 108.5° | 109.5° |
| O13 | C7 | H7A | 108.5° | 109.5° |
| C8 | C7 | H7 | 108.5° | 109.4° |
| C8 | C7 | H7A | 108.5° | 109.5° |
| C7 | C8 | O14 | 111.4° | 109.5° |
| C7 | C8 | C9 | 104.2° | 109.5° |
| C7 | C8 | H8 | 110.3° | 109.5° |
| H7 | C7 | H7A | 109.4° | 109.5° |
| O14 | C8 | C9 | 108.2° | 109.5° |
| O14 | C8 | H8 | 111.9° | 109.4° |
| C8 | O14 | C18 | 120.7° | 117.0° |
| C9 | C8 | H8 | 110.5° | 109.5° |
| C8 | C9 | O15 | 111.0° | 109.5° |
| C8 | C9 | H9 | 109.1° | 109.5° |
| C8 | C9 | H9A | 109.1° | 109.5° |
| O15 | C9 | H9 | 109.1° | 109.4° |
| O15 | C9 | H9A | 109.1° | 109.5° |
| C9 | O15 | C10 | 117.4° | 117.0° |
| H9 | C9 | H9A | 109.5° | 109.5° |
| O15 | C10 | C11 | 120.3° | 120.0° |
| O15 | C10 | O16 | 118.0° | 120.0° |
| C11 | C10 | O16 | 121.7° | 120.0° |
| C10 | C11 | C12 | 110.8° | 109.5° |
| C10 | C11 | H11 | 109.1° | 109.4° |
| C10 | C11 | H11A | 109.2° | 109.5° |
| C12 | C11 | H11 | 109.1° | 109.4° |
| C12 | C11 | H11A | 109.1° | 109.5° |
| C11 | C12 | C13 | 111.6° | 109.5° |
| C11 | C12 | H12 | 108.9° | 109.5° |
| C11 | C12 | H12A | 108.9° | 109.5° |
| H11 | C11 | H11A | 109.5° | 109.5° |
| C13 | C12 | H12 | 108.9° | 109.4° |
| C13 | C12 | H12A | 108.9° | 109.4° |
| C12 | C13 | C14 | 110.8° | 109.5° |
| C12 | C13 | H13 | 109.1° | 109.4° |
| C12 | C13 | H13A | 109.1° | 109.5° |
| H12 | C12 | H12A | 109.5° | 109.5° |
| C14 | C13 | H13 | 109.1° | 109.5° |
| C14 | C13 | H13A | 109.2° | 109.5° |
| C13 | C14 | C15 | 112.1° | 109.5° |
| C13 | C14 | H14 | 108.8° | 109.5° |
| C13 | C14 | H14A | 108.8° | 109.5° |
| H13 | C13 | H13A | 109.5° | 109.5° |
| C15 | C14 | H14 | 108.8° | 109.4° |
| C15 | C14 | H14A | 108.8° | 109.5° |
| C14 | C15 | C16 | 112.0° | 109.5° |
| C14 | C15 | H15 | 108.8° | 109.4° |
| C14 | C15 | H15A | 108.8° | 109.5° |
| H14 | C14 | H14A | 109.5° | 109.5° |
| O14 | C18 | O17 | 121.7° | 120.1° |
| O14 | C18 | C19 | 117.6° | 120.0° |
| C16 | C15 | H15 | 108.9° | 109.5° |
| C16 | C15 | H15A | 108.8° | 109.5° |
| C15 | C16 | C17 | 111.7° | 109.5° |
| C15 | C16 | H16 | 108.9° | 109.4° |
| C15 | C16 | H16A | 108.9° | 109.5° |
| H15 | C15 | H15A | 109.5° | 109.5° |
| C17 | C16 | H16 | 108.9° | 109.5° |
| C17 | C16 | H16A | 108.9° | 109.5° |
| C16 | C17 | H17 | 109.5° | 109.5° |
| C16 | C17 | H17A | 109.5° | 109.5° |
| C16 | C17 | H17B | 109.5° | 109.5° |
| H16 | C16 | H16A | 109.5° | 109.5° |
| H17 | C17 | H17A | 109.5° | 109.5° |
| H17 | C17 | H17B | 109.5° | 109.5° |
| H17A | C17 | H17B | 109.5° | 109.5° |
| O17 | C18 | C19 | 120.6° | 119.9° |
| C18 | C19 | C20 | 113.3° | 109.5° |
| C18 | C19 | H19 | 108.5° | 109.5° |
| C18 | C19 | H19A | 108.5° | 109.5° |
| C20 | C19 | H19 | 108.5° | 109.5° |
| C20 | C19 | H19A | 108.5° | 109.5° |
| C19 | C20 | C21 | 114.6° | 109.5° |
| C19 | C20 | H20 | 108.2° | 109.5° |
| C19 | C20 | H20A | 108.2° | 109.5° |
| H19 | C19 | H19A | 109.5° | 109.5° |
| C21 | C20 | H20 | 108.2° | 109.5° |
| C21 | C20 | H20A | 108.2° | 109.4° |
| C20 | C21 | C22 | 113.2° | 109.5° |
| C20 | C21 | H21 | 108.5° | 109.5° |
| C20 | C21 | H21A | 108.5° | 109.4° |
| H20 | C20 | H20A | 109.4° | 109.5° |
| C22 | C21 | H21 | 108.5° | 109.5° |
| C22 | C21 | H21A | 108.6° | 109.5° |
| C21 | C22 | C23 | 112.9° | 109.5° |
| C21 | C22 | H22 | 108.6° | 109.5° |
| C21 | C22 | H22A | 108.6° | 109.5° |
| H21 | C21 | H21A | 109.5° | 109.5° |
| C23 | C22 | H22 | 108.6° | 109.4° |
| C23 | C22 | H22A | 108.6° | 109.5° |
| C22 | C23 | C24 | 113.4° | 109.5° |
| C22 | C23 | H23 | 108.5° | 109.5° |
| C22 | C23 | H23A | 108.5° | 109.5° |
| H22 | C22 | H22A | 109.5° | 109.5° |
| C24 | C23 | H23 | 108.5° | 109.4° |
| C24 | C23 | H23A | 108.5° | 109.5° |
| C23 | C24 | C25 | 111.3° | 109.5° |
| C23 | C24 | H24 | 109.0° | 109.5° |
| C23 | C24 | H24A | 109.0° | 109.5° |
| H23 | C23 | H23A | 109.4° | 109.4° |
| C25 | C24 | H24 | 109.0° | 109.4° |
| C25 | C24 | H24A | 109.0° | 109.5° |
| C24 | C25 | H25 | 109.5° | 109.5° |
| C24 | C25 | H25A | 109.4° | 109.4° |
| C24 | C25 | H25B | 109.4° | 109.5° |
| H24 | C24 | H24A | 109.5° | 109.4° |
| H25 | C25 | H25A | 109.5° | 109.5° |
| H25 | C25 | H25B | 109.4° | 109.5° |
| H25A | C25 | H25B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C1 | C2 | O1 | 120.0° | 120.0° |
| C6 | C1 | C2 | H1 | 119.0° | 120.0° |
| C6 | C1 | O1 | H1 | 113.5° | 120.0° |
| C6 | C1 | O1 | P1 | 126.0° | 120.0° |
| C6 | C1 | C2 | O2 | 140.4° | 180.0° |
| C6 | C1 | C2 | C3 | 17.7° | 60.0° |
| C6 | C1 | C2 | H2 | 103.0° | 60.0° |
| C1 | C6 | C5 | C4 | 41.2° | 60.0° |
| C1 | C6 | C5 | O5 | 86.4° | 60.0° |
| C1 | C6 | C5 | O6 | 119.1° | 120.0° |
| C1 | C6 | C5 | H6 | 121.8° | 120.0° |
| C1 | C6 | C5 | H5 | 157.5° | 180.0° |
| C1 | C6 | O6 | H6 | 115.6° | 120.0° |
| C1 | C6 | O6 | HO6 | 180.0° | 180.0° |
| C2 | C1 | O1 | H1 | 120.4° | 120.0° |
| C2 | C1 | O1 | P1 | 0.1° | 120.0° |
| C1 | C2 | O2 | C3 | 126.4° | 120.0° |
| C1 | C2 | O2 | H2 | 115.8° | 120.0° |
| C1 | C2 | C3 | H2 | 120.7° | 120.0° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
| C1 | C2 | C3 | C4 | 21.8° | 60.0° |
| C1 | C2 | C3 | O3 | 147.3° | 60.0° |
| C1 | C2 | C3 | H3 | 97.8° | 180.0° |
| C2 | C1 | C6 | C5 | 50.4° | 60.0° |
| C2 | C1 | C6 | O6 | 172.4° | 180.0° |
| C2 | C1 | C6 | H6 | 71.2° | 60.0° |
| C1 | O1 | P1 | O13 | 55.4° | 175.0° |
| C1 | O1 | P1 | O11 | 166.5° | 55.0° |
| C1 | O1 | P1 | O12 | 65.2° | 65.0° |
| O1 | C1 | C2 | O2 | 99.5° | 60.0° |
| O1 | C1 | C2 | C3 | 137.7° | 180.0° |
| O1 | C1 | C2 | H2 | 17.1° | 60.0° |
| O1 | C1 | C6 | C5 | 177.3° | 180.0° |
| O1 | C1 | C6 | O6 | 60.7° | 60.0° |
| O1 | C1 | C6 | H6 | 55.7° | 60.0° |
| H1 | C1 | O1 | P1 | 120.5° | 0.0° |
| H1 | C1 | C2 | O2 | 21.4° | 59.9° |
| H1 | C1 | C2 | C3 | 101.3° | 60.0° |
| H1 | C1 | C2 | H2 | 138.0° | 180.0° |
| H1 | C1 | C6 | C5 | 68.5° | 60.0° |
| H1 | C1 | C6 | O6 | 53.5° | 60.0° |
| H1 | C1 | C6 | H6 | 169.8° | 180.0° |
| O1 | P1 | O13 | O11 | 110.4° | 120.0° |
| O1 | P1 | O13 | O12 | 118.6° | 120.0° |
| O1 | P1 | O11 | O12 | 123.8° | 120.0° |
| O1 | P1 | O13 | C7 | 160.6° | 175.0° |
| O1 | P1 | O12 | HO12 | 121.4° | 60.0° |
| O13 | P1 | O11 | O12 | 128.5° | 120.0° |
| P1 | O13 | C7 | C8 | 120.3° | 180.0° |
| P1 | O13 | C7 | H7 | 0.3° | 60.0° |
| P1 | O13 | C7 | H7A | 119.1° | 60.0° |
| O13 | P1 | O12 | HO12 | 125.3° | 60.0° |
| O11 | P1 | O13 | C7 | 89.0° | 55.0° |
| O11 | P1 | O12 | HO12 | 0.0° | 180.0° |
| O12 | P1 | O13 | C7 | 42.0° | 65.0° |
| O2 | C2 | C3 | H2 | 118.6° | 120.0° |
| O2 | C2 | C3 | C4 | 98.9° | 180.0° |
| O2 | C2 | C3 | O3 | 26.6° | 60.0° |
| O2 | C2 | C3 | H3 | 141.6° | 60.0° |
| C3 | C2 | O2 | HO2 | 53.6° | 180.0° |
| C2 | C3 | C4 | O3 | 124.9° | 120.0° |
| C2 | C3 | C4 | H3 | 119.5° | 120.0° |
| C2 | C3 | O3 | H3 | 114.1° | 120.0° |
| C2 | C3 | O3 | P3 | 109.8° | 120.0° |
| C2 | C3 | C4 | O4 | 99.1° | 180.0° |
| C2 | C3 | C4 | C5 | 30.3° | 60.0° |
| C2 | C3 | C4 | H4 | 146.1° | 60.0° |
| H2 | C2 | O2 | HO2 | 64.2° | 60.0° |
| H2 | C2 | C3 | C4 | 142.5° | 60.0° |
| H2 | C2 | C3 | O3 | 92.0° | 180.0° |
| H2 | C2 | C3 | H3 | 23.0° | 60.0° |
| C4 | C3 | O3 | H3 | 114.7° | 120.0° |
| C4 | C3 | O3 | P3 | 119.0° | 120.0° |
| C3 | C4 | O4 | C5 | 132.0° | 120.0° |
| C3 | C4 | O4 | H4 | 114.1° | 120.0° |
| C3 | C4 | C5 | H4 | 115.7° | 119.9° |
| C3 | C4 | O4 | P4 | 142.8° | 120.0° |
| C3 | C4 | C5 | O5 | 126.3° | 60.0° |
| C3 | C4 | C5 | C6 | 1.0° | 60.0° |
| C3 | C4 | C5 | H5 | 117.3° | 180.0° |
| C3 | O3 | P3 | O33 | 164.2° | 55.1° |
| C3 | O3 | P3 | O31 | 76.0° | 175.0° |
| C3 | O3 | P3 | O32 | 44.9° | 65.0° |
| O3 | C3 | C4 | O4 | 25.9° | 59.9° |
| O3 | C3 | C4 | C5 | 155.3° | 60.0° |
| O3 | C3 | C4 | H4 | 89.0° | 180.0° |
| H3 | C3 | O3 | P3 | 4.3° | 0.1° |
| H3 | C3 | C4 | O4 | 141.4° | 60.0° |
| H3 | C3 | C4 | C5 | 89.2° | 180.0° |
| H3 | C3 | C4 | H4 | 26.6° | 60.1° |
| O3 | P3 | O33 | O31 | 111.4° | 120.0° |
| O3 | P3 | O33 | O32 | 115.3° | 120.0° |
| O3 | P3 | O31 | O32 | 117.3° | 120.1° |
| O3 | P3 | O31 | HO31 | 109.4° | 180.0° |
| O3 | P3 | O32 | HO32 | 110.9° | 60.0° |
| O33 | P3 | O31 | O32 | 133.3° | 120.0° |
| O33 | P3 | O31 | HO31 | 0.0° | 60.0° |
| O33 | P3 | O32 | HO32 | 0.0° | 180.0° |
| O31 | P3 | O32 | HO32 | 134.1° | 60.0° |
| O32 | P3 | O31 | HO31 | 133.3° | 60.0° |
| O4 | C4 | C5 | H4 | 114.7° | 120.1° |
| C4 | O4 | P4 | O42 | 133.8° | 55.1° |
| C4 | O4 | P4 | O43 | 106.4° | 175.0° |
| C4 | O4 | P4 | O41 | 15.1° | 65.0° |
| O4 | C4 | C5 | O5 | 3.3° | 60.0° |
| O4 | C4 | C5 | C6 | 130.5° | 180.0° |
| O4 | C4 | C5 | H5 | 113.2° | 60.0° |
| C5 | C4 | O4 | P4 | 85.2° | 120.1° |
| C4 | C5 | O5 | C6 | 129.0° | 120.0° |
| C4 | C5 | O5 | H5 | 115.7° | 119.9° |
| C4 | C5 | C6 | H5 | 116.3° | 120.0° |
| C4 | C5 | O5 | HO5 | 180.0° | 180.0° |
| C4 | C5 | C6 | O6 | 160.4° | 180.0° |
| C4 | C5 | C6 | H6 | 80.6° | 60.0° |
| H4 | C4 | O4 | P4 | 28.8° | 0.0° |
| H4 | C4 | C5 | O5 | 118.0° | 180.0° |
| H4 | C4 | C5 | C6 | 114.8° | 60.0° |
| H4 | C4 | C5 | H5 | 1.5° | 60.1° |
| O4 | P4 | O42 | O43 | 109.0° | 120.0° |
| O4 | P4 | O42 | O41 | 117.1° | 120.0° |
| O4 | P4 | O43 | O41 | 117.1° | 120.0° |
| O4 | P4 | O41 | HO41 | 113.7° | 60.0° |
| O4 | P4 | O43 | HO43 | 110.8° | 179.9° |
| O42 | P4 | O43 | O41 | 132.1° | 120.0° |
| O42 | P4 | O41 | HO41 | 0.0° | 180.0° |
| O42 | P4 | O43 | HO43 | 0.0° | 59.9° |
| O43 | P4 | O41 | HO41 | 134.0° | 60.0° |
| O41 | P4 | O43 | HO43 | 132.1° | 60.1° |
| O5 | C5 | C6 | H5 | 116.0° | 120.0° |
| O5 | C5 | C6 | O6 | 32.7° | 60.0° |
| O5 | C5 | C6 | H6 | 151.8° | 180.0° |
| C6 | C5 | O5 | HO5 | 51.0° | 60.0° |
| C5 | C6 | O6 | H6 | 118.2° | 119.9° |
| C5 | C6 | O6 | HO6 | 53.8° | 60.0° |
| H5 | C5 | O5 | HO5 | 64.3° | 60.0° |
| H5 | C5 | C6 | O6 | 83.3° | 60.0° |
| H5 | C5 | C6 | H6 | 35.7° | 60.0° |
| H6 | C6 | O6 | HO6 | 64.4° | 60.0° |
| O13 | C7 | C8 | H7 | 120.6° | 120.0° |
| O13 | C7 | C8 | H7A | 120.6° | 120.0° |
| O13 | C7 | H7 | H7A | 118.3° | 120.0° |
| O13 | C7 | C8 | O14 | 53.1° | 65.0° |
| O13 | C7 | C8 | C9 | 169.5° | 175.0° |
| O13 | C7 | C8 | H8 | 71.8° | 55.0° |
| C8 | C7 | H7 | H7A | 118.2° | 120.0° |
| C7 | C8 | O14 | C9 | 113.9° | 120.0° |
| C7 | C8 | O14 | H8 | 124.1° | 120.0° |
| C7 | C8 | C9 | H8 | 118.5° | 120.0° |
| C7 | C8 | C9 | O15 | 162.4° | 175.0° |
| C7 | C8 | C9 | H9 | 42.2° | 55.0° |
| C7 | C8 | C9 | H9A | 77.3° | 65.0° |
| C7 | C8 | O14 | C18 | 133.7° | 150.0° |
| H7 | C7 | C8 | O14 | 173.7° | 55.0° |
| H7 | C7 | C8 | C9 | 69.9° | 65.0° |
| H7 | C7 | C8 | H8 | 48.7° | 175.0° |
| H7A | C7 | C8 | O14 | 67.5° | 175.0° |
| H7A | C7 | C8 | C9 | 49.0° | 55.0° |
| H7A | C7 | C8 | H8 | 167.6° | 65.0° |
| O14 | C8 | C9 | H8 | 122.9° | 120.0° |
| O14 | C8 | C9 | O15 | 79.0° | 65.0° |
| O14 | C8 | C9 | H9 | 160.8° | 175.1° |
| O14 | C8 | C9 | H9A | 41.3° | 55.0° |
| C8 | O14 | C18 | O17 | 20.1° | 0.0° |
| C8 | O14 | C18 | C19 | 162.0° | 180.0° |
| C8 | C9 | O15 | H9 | 120.2° | 120.0° |
| C8 | C9 | O15 | H9A | 120.3° | 120.0° |
| C8 | C9 | H9 | H9A | 119.3° | 120.0° |
| C8 | C9 | O15 | C10 | 175.6° | 180.0° |
| C9 | C8 | O14 | C18 | 112.3° | 90.0° |
| H8 | C8 | C9 | O15 | 43.9° | 55.0° |
| H8 | C8 | C9 | H9 | 76.3° | 65.0° |
| H8 | C8 | C9 | H9A | 164.2° | 175.0° |
| H8 | C8 | O14 | C18 | 9.7° | 30.0° |
| O15 | C9 | H9 | H9A | 119.3° | 120.0° |
| C9 | O15 | C10 | C11 | 174.1° | 180.0° |
| C9 | O15 | C10 | O16 | 5.5° | 0.0° |
| H9 | C9 | O15 | C10 | 64.2° | 60.0° |
| H9A | C9 | O15 | C10 | 55.4° | 60.0° |
| O15 | C10 | C11 | O16 | 179.6° | 180.0° |
| O15 | C10 | C11 | C12 | 121.9° | 180.0° |
| O15 | C10 | C11 | H11 | 117.9° | 60.1° |
| O15 | C10 | C11 | H11A | 1.7° | 60.0° |
| C10 | C11 | C12 | H11 | 120.2° | 119.9° |
| C10 | C11 | C12 | H11A | 120.2° | 120.0° |
| C10 | C11 | H11 | H11A | 119.4° | 120.0° |
| C10 | C11 | C12 | C13 | 170.4° | 180.0° |
| C10 | C11 | C12 | H12 | 50.0° | 60.0° |
| C10 | C11 | C12 | H12A | 69.4° | 60.0° |
| O16 | C10 | C11 | C12 | 58.4° | 0.0° |
| O16 | C10 | C11 | H11 | 61.8° | 119.9° |
| O16 | C10 | C11 | H11A | 178.6° | 120.0° |
| C12 | C11 | H11 | H11A | 119.4° | 120.0° |
| C11 | C12 | C13 | H12 | 120.3° | 120.1° |
| C11 | C12 | C13 | H12A | 120.3° | 120.0° |
| C11 | C12 | H12 | H12A | 119.0° | 120.1° |
| C11 | C12 | C13 | C14 | 136.1° | 180.0° |
| C11 | C12 | C13 | H13 | 103.7° | 60.0° |
| C11 | C12 | C13 | H13A | 15.9° | 60.0° |
| H11 | C11 | C12 | C13 | 69.5° | 60.0° |
| H11 | C11 | C12 | H12 | 170.2° | 180.0° |
| H11 | C11 | C12 | H12A | 50.8° | 59.9° |
| H11A | C11 | C12 | C13 | 50.1° | 60.0° |
| H11A | C11 | C12 | H12 | 70.2° | 60.0° |
| H11A | C11 | C12 | H12A | 170.4° | 180.0° |
| C13 | C12 | H12 | H12A | 119.0° | 119.9° |
| C12 | C13 | C14 | H13 | 120.2° | 120.0° |
| C12 | C13 | C14 | H13A | 120.2° | 120.0° |
| C12 | C13 | H13 | H13A | 119.4° | 120.0° |
| C12 | C13 | C14 | C15 | 176.2° | 179.9° |
| C12 | C13 | C14 | H14 | 63.4° | 60.0° |
| C12 | C13 | C14 | H14A | 55.8° | 60.0° |
| H12 | C12 | C13 | C14 | 15.8° | 59.9° |
| H12 | C12 | C13 | H13 | 136.0° | 180.0° |
| H12 | C12 | C13 | H13A | 104.4° | 60.0° |
| H12A | C12 | C13 | C14 | 103.6° | 60.0° |
| H12A | C12 | C13 | H13 | 16.6° | 60.0° |
| H12A | C12 | C13 | H13A | 136.2° | 180.0° |
| C14 | C13 | H13 | H13A | 119.4° | 120.0° |
| C13 | C14 | C15 | H14 | 120.4° | 120.0° |
| C13 | C14 | C15 | H14A | 120.4° | 120.0° |
| C13 | C14 | H14 | H14A | 118.8° | 120.0° |
| C13 | C14 | C15 | C16 | 137.6° | 180.0° |
| C13 | C14 | C15 | H15 | 102.0° | 60.0° |
| C13 | C14 | C15 | H15A | 17.2° | 60.0° |
| H13 | C13 | C14 | C15 | 56.0° | 60.1° |
| H13 | C13 | C14 | H14 | 176.4° | 180.0° |
| H13 | C13 | C14 | H14A | 64.4° | 60.0° |
| H13A | C13 | C14 | C15 | 63.6° | 60.0° |
| H13A | C13 | C14 | H14 | 56.8° | 60.0° |
| H13A | C13 | C14 | H14A | 176.0° | 180.0° |
| C15 | C14 | H14 | H14A | 118.8° | 120.0° |
| C14 | C15 | C16 | H15 | 120.4° | 120.0° |
| C14 | C15 | C16 | H15A | 120.4° | 120.1° |
| C14 | C15 | H15 | H15A | 118.8° | 120.0° |
| C14 | C15 | C16 | C17 | 76.8° | 179.9° |
| C14 | C15 | C16 | H16 | 162.9° | 60.0° |
| C14 | C15 | C16 | H16A | 43.6° | 59.9° |
| H14 | C14 | C15 | C16 | 17.2° | 60.0° |
| H14 | C14 | C15 | H15 | 137.6° | 180.0° |
| H14 | C14 | C15 | H15A | 103.2° | 60.0° |
| H14A | C14 | C15 | C16 | 102.0° | 60.0° |
| H14A | C14 | C15 | H15 | 18.4° | 60.0° |
| H14A | C14 | C15 | H15A | 137.6° | NaN° |
| O14 | C18 | O17 | C19 | 177.8° | 180.0° |
| O14 | C18 | C19 | C20 | 134.7° | 180.0° |
| O14 | C18 | C19 | H19 | 14.2° | 60.0° |
| O14 | C18 | C19 | H19A | 104.7° | 60.0° |
| C16 | C15 | H15 | H15A | 118.9° | 120.0° |
| C15 | C16 | C17 | H16 | 120.3° | 120.0° |
| C15 | C16 | C17 | H16A | 120.3° | 120.0° |
| C15 | C16 | H16 | H16A | 119.0° | 120.0° |
| C15 | C16 | C17 | H17 | 180.0° | 60.0° |
| C15 | C16 | C17 | H17A | 60.0° | 180.0° |
| C15 | C16 | C17 | H17B | 60.0° | 60.0° |
| H15 | C15 | C16 | C17 | 43.6° | 60.0° |
| H15 | C15 | C16 | H16 | 76.7° | 180.0° |
| H15 | C15 | C16 | H16A | 163.9° | 60.0° |
| H15A | C15 | C16 | C17 | 162.9° | 60.0° |
| H15A | C15 | C16 | H16 | 42.5° | 60.0° |
| H15A | C15 | C16 | H16A | 76.8° | 180.0° |
| C17 | C16 | H16 | H16A | 119.0° | 120.0° |
| C16 | C17 | H17 | H17A | 120.0° | 120.0° |
| C16 | C17 | H17 | H17B | 120.0° | 120.0° |
| C16 | C17 | H17A | H17B | 120.0° | 120.0° |
| H16 | C16 | C17 | H17 | 59.7° | 60.0° |
| H16 | C16 | C17 | H17A | 179.7° | 60.0° |
| H16 | C16 | C17 | H17B | 60.4° | 180.0° |
| H16A | C16 | C17 | H17 | 59.7° | NaN° |
| H16A | C16 | C17 | H17A | 60.3° | 60.0° |
| H16A | C16 | C17 | H17B | 179.7° | 60.0° |
| H17 | C17 | H17A | H17B | 120.0° | 120.0° |
| O17 | C18 | C19 | C20 | 47.4° | 0.0° |
| O17 | C18 | C19 | H19 | 167.9° | 120.0° |
| O17 | C18 | C19 | H19A | 73.2° | 120.0° |
| C18 | C19 | C20 | H19 | 120.6° | 120.0° |
| C18 | C19 | C20 | H19A | 120.6° | 120.0° |
| C18 | C19 | H19 | H19A | 118.3° | 120.0° |
| C18 | C19 | C20 | C21 | 52.5° | 180.0° |
| C18 | C19 | C20 | H20 | 173.3° | 60.0° |
| C18 | C19 | C20 | H20A | 68.3° | 60.0° |
| C20 | C19 | H19 | H19A | 118.3° | 120.0° |
| C19 | C20 | C21 | H20 | 120.8° | 120.0° |
| C19 | C20 | C21 | H20A | 120.8° | 120.0° |
| C19 | C20 | H20 | H20A | 117.6° | 120.0° |
| C19 | C20 | C21 | C22 | 72.9° | 180.0° |
| C19 | C20 | C21 | H21 | 166.5° | 60.0° |
| C19 | C20 | C21 | H21A | 47.6° | 60.0° |
| H19 | C19 | C20 | C21 | 68.0° | 59.9° |
| H19 | C19 | C20 | H20 | 52.7° | 180.0° |
| H19 | C19 | C20 | H20A | 171.2° | 60.0° |
| H19A | C19 | C20 | C21 | 173.1° | 60.1° |
| H19A | C19 | C20 | H20 | 66.2° | 60.0° |
| H19A | C19 | C20 | H20A | 52.3° | 180.0° |
| C21 | C20 | H20 | H20A | 117.7° | 120.0° |
| C20 | C21 | C22 | H21 | 120.6° | 120.1° |
| C20 | C21 | C22 | H21A | 120.5° | 119.9° |
| C20 | C21 | H21 | H21A | 118.3° | 120.0° |
| C20 | C21 | C22 | C23 | 116.3° | 180.0° |
| C20 | C21 | C22 | H22 | 123.2° | 60.0° |
| C20 | C21 | C22 | H22A | 4.2° | 60.1° |
| H20 | C20 | C21 | C22 | 47.8° | 60.0° |
| H20 | C20 | C21 | H21 | 72.7° | 180.0° |
| H20 | C20 | C21 | H21A | 168.4° | 60.0° |
| H20A | C20 | C21 | C22 | 166.3° | 60.0° |
| H20A | C20 | C21 | H21 | 45.7° | 60.0° |
| H20A | C20 | C21 | H21A | 73.2° | 180.0° |
| C22 | C21 | H21 | H21A | 118.3° | 120.0° |
| C21 | C22 | C23 | H22 | 120.5° | 120.0° |
| C21 | C22 | C23 | H22A | 120.5° | 120.0° |
| C21 | C22 | H22 | H22A | 118.5° | 120.0° |
| C21 | C22 | C23 | C24 | 107.2° | 180.0° |
| C21 | C22 | C23 | H23 | 132.2° | 60.0° |
| C21 | C22 | C23 | H23A | 13.4° | 60.0° |
| H21 | C21 | C22 | C23 | 4.3° | 60.0° |
| H21 | C21 | C22 | H22 | 116.2° | 179.9° |
| H21 | C21 | C22 | H22A | 124.8° | 60.0° |
| H21A | C21 | C22 | C23 | 123.2° | 60.0° |
| H21A | C21 | C22 | H22 | 2.7° | 60.0° |
| H21A | C21 | C22 | H22A | 116.3° | 180.0° |
| C23 | C22 | H22 | H22A | 118.4° | 120.0° |
| C22 | C23 | C24 | H23 | 120.6° | 120.0° |
| C22 | C23 | C24 | H23A | 120.6° | 120.1° |
| C22 | C23 | H23 | H23A | 118.2° | 120.0° |
| C22 | C23 | C24 | C25 | 85.6° | 180.0° |
| C22 | C23 | C24 | H24 | 154.1° | 60.0° |
| C22 | C23 | C24 | H24A | 34.7° | 59.9° |
| H22 | C22 | C23 | C24 | 13.3° | 60.0° |
| H22 | C22 | C23 | H23 | 107.3° | 180.0° |
| H22 | C22 | C23 | H23A | 133.9° | 60.0° |
| H22A | C22 | C23 | C24 | 132.3° | 60.0° |
| H22A | C22 | C23 | H23 | 11.7° | 60.0° |
| H22A | C22 | C23 | H23A | 107.1° | 179.9° |
| C24 | C23 | H23 | H23A | 118.2° | 120.0° |
| C23 | C24 | C25 | H24 | 120.3° | 120.0° |
| C23 | C24 | C25 | H24A | 120.3° | 120.0° |
| C23 | C24 | H24 | H24A | 119.1° | 120.0° |
| C23 | C24 | C25 | H25 | 180.0° | 60.0° |
| C23 | C24 | C25 | H25A | 60.0° | 180.0° |
| C23 | C24 | C25 | H25B | 60.0° | 60.1° |
| H23 | C23 | C24 | C25 | 35.0° | 60.0° |
| H23 | C23 | C24 | H24 | 85.3° | 180.0° |
| H23 | C23 | C24 | H24A | 155.3° | 60.1° |
| H23A | C23 | C24 | C25 | 153.8° | 59.9° |
| H23A | C23 | C24 | H24 | 33.5° | 60.1° |
| H23A | C23 | C24 | H24A | 85.9° | 180.0° |
| C25 | C24 | H24 | H24A | 119.2° | 120.0° |
| C24 | C25 | H25 | H25A | 120.0° | 120.0° |
| C24 | C25 | H25 | H25B | 120.0° | 120.0° |
| C24 | C25 | H25A | H25B | 120.0° | 120.0° |
| H24 | C24 | C25 | H25 | 59.7° | 60.0° |
| H24 | C24 | C25 | H25A | 179.7° | 60.0° |
| H24 | C24 | C25 | H25B | 60.3° | 179.9° |
| H24A | C24 | C25 | H25 | 59.7° | 179.9° |
| H24A | C24 | C25 | H25A | 60.3° | 59.9° |
| H24A | C24 | C25 | H25B | 179.7° | 60.0° |
| H25 | C25 | H25A | H25B | 120.0° | 120.0° |
