VJ4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C6 | sing | 1.43Å | 1.44Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| O9 | P1 | doub | 1.48Å | 1.51Å | |
| C5 | O5 | sing | 1.43Å | 1.43Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| O5 | C1 | sing | 1.43Å | 1.43Å | |
| O8 | P1 | sing | 1.61Å | 1.51Å | |
| P1 | O4 | sing | 1.61Å | 1.56Å | |
| P1 | O7 | sing | 1.61Å | 1.51Å | |
| O4 | C4 | sing | 1.43Å | 1.43Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C2 | N2 | sing | 1.47Å | 1.45Å | |
| N2 | C13 | sing | 1.47Å | 1.43Å | |
| O2 | C13 | sing | 1.43Å | 1.25Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| O10 | C12 | doub | 1.21Å | 1.25Å | |
| C12 | O11 | sing | 1.34Å | 1.37Å | |
| C12 | C21 | sing | 1.51Å | 1.51Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| O11 | C15 | sing | 1.45Å | 1.44Å | |
| C21 | C31 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C31 | C41 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C18 | C7 | sing | 1.53Å | 1.52Å | |
| C41 | C51 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| N2 | HN21 | sing | 1.01Å | 1.00Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C13 | H37 | sing | 1.09Å | 1.10Å | |
| C14 | H38 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| O7 | H10 | sing | 0.97Å | 0.95Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| O8 | H13 | sing | 0.97Å | 0.95Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H16 | sing | 1.09Å | 1.10Å | |
| C7 | H17 | sing | 1.09Å | 1.10Å | |
| C8 | H18 | sing | 1.09Å | 1.10Å | |
| C8 | H19 | sing | 1.09Å | 1.10Å | |
| C9 | H20 | sing | 1.09Å | 1.10Å | |
| C9 | H21 | sing | 1.09Å | 1.10Å | |
| C10 | H22 | sing | 1.09Å | 1.10Å | |
| C10 | H23 | sing | 1.09Å | 1.10Å | |
| C11 | H24 | sing | 1.09Å | 1.10Å | |
| C11 | H25 | sing | 1.09Å | 1.10Å | |
| C11 | H26 | sing | 1.09Å | 1.10Å | |
| O2 | H27 | sing | 0.97Å | 0.95Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C41 | H32 | sing | 1.09Å | 1.10Å | |
| C41 | H33 | sing | 1.09Å | 1.10Å | |
| C51 | H34 | sing | 1.09Å | 1.10Å | |
| C51 | H35 | sing | 1.09Å | 1.10Å | |
| C51 | H36 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C1 | O1 | sing | 1.43Å | 1.37Å | |
| O1 | H39 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C6 | C5 | 109.1° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| O6 | C6 | H61 | 109.6° | 109.5° |
| O6 | C6 | H62 | 109.6° | 109.5° |
| C6 | C5 | O5 | 108.6° | 109.4° |
| C6 | C5 | C4 | 113.1° | 109.5° |
| C6 | C5 | H5 | 107.9° | 109.5° |
| C5 | C6 | H61 | 109.6° | 109.5° |
| C5 | C6 | H62 | 109.6° | 109.4° |
| O9 | P1 | O8 | 109.3° | 109.5° |
| O9 | P1 | O4 | 104.9° | 109.5° |
| O9 | P1 | O7 | 109.5° | 109.5° |
| O5 | C5 | C4 | 109.8° | 109.4° |
| C5 | O5 | C1 | 114.4° | 114.1° |
| O5 | C5 | H5 | 109.3° | 109.5° |
| C5 | C4 | O4 | 110.5° | 109.5° |
| C5 | C4 | C3 | 110.1° | 109.2° |
| C5 | C4 | H4 | 108.3° | 109.6° |
| C4 | C5 | H5 | 108.0° | 109.5° |
| O5 | C1 | C2 | 111.5° | 109.4° |
| O5 | C1 | H1 | 105.7° | 109.5° |
| O5 | C1 | O1 | 93.1° | 109.5° |
| O8 | P1 | O4 | 105.6° | 109.5° |
| O8 | P1 | O7 | 109.2° | 109.4° |
| P1 | O8 | H13 | 109.5° | 114.0° |
| O4 | P1 | O7 | 118.1° | 109.4° |
| P1 | O4 | C4 | 128.9° | 123.0° |
| P1 | O7 | H10 | 109.5° | 114.0° |
| O4 | C4 | C3 | 110.0° | 109.5° |
| O4 | C4 | H4 | 109.6° | 109.5° |
| C4 | C3 | C2 | 109.3° | 109.0° |
| C4 | C3 | O3 | 110.7° | 109.6° |
| C4 | C3 | H3 | 108.6° | 109.6° |
| C3 | C4 | H4 | 108.3° | 109.5° |
| C1 | C2 | C3 | 110.2° | 109.2° |
| C1 | C2 | N2 | 109.7° | 109.5° |
| C2 | C1 | H1 | 104.7° | 109.5° |
| C1 | C2 | H2 | 108.4° | 109.5° |
| C2 | C1 | O1 | 133.0° | 109.5° |
| C2 | C3 | O3 | 109.6° | 109.5° |
| C3 | C2 | N2 | 110.6° | 109.5° |
| C3 | C2 | H2 | 108.5° | 109.6° |
| C2 | C3 | H3 | 108.7° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| O3 | C3 | H3 | 109.9° | 109.6° |
| C2 | N2 | C13 | 137.0° | 111.0° |
| C2 | N2 | HN21 | 102.2° | 111.0° |
| N2 | C2 | H2 | 109.4° | 109.6° |
| N2 | C13 | O2 | 99.5° | 109.5° |
| N2 | C13 | C14 | 120.0° | 109.4° |
| C13 | N2 | HN21 | 102.2° | 111.1° |
| N2 | C13 | H37 | 105.1° | 109.4° |
| O2 | C13 | C14 | 119.6° | 109.5° |
| O2 | C13 | H37 | 107.3° | 109.5° |
| C13 | O2 | H27 | 109.5° | 114.0° |
| C13 | C14 | C15 | 111.8° | 109.4° |
| C14 | C13 | H37 | 104.2° | 109.5° |
| C13 | C14 | H38 | 108.9° | 109.5° |
| C13 | C14 | H6 | 108.9° | 109.5° |
| O10 | C12 | O11 | 134.2° | 120.0° |
| O10 | C12 | C21 | 119.0° | 120.0° |
| O11 | C12 | C21 | 104.8° | 120.0° |
| C12 | O11 | C15 | 168.8° | 117.0° |
| C12 | C21 | C31 | 109.1° | 109.5° |
| C12 | C21 | H28 | 109.6° | 109.5° |
| C12 | C21 | H29 | 109.6° | 109.5° |
| C14 | C15 | O11 | 110.1° | 109.5° |
| C14 | C15 | C16 | 110.4° | 109.4° |
| C15 | C14 | H38 | 108.9° | 109.5° |
| C15 | C14 | H6 | 108.9° | 109.5° |
| C14 | C15 | H7 | 108.4° | 109.5° |
| O11 | C15 | C16 | 109.7° | 109.5° |
| O11 | C15 | H7 | 109.7° | 109.5° |
| C21 | C31 | C41 | 110.9° | 109.5° |
| C31 | C21 | H28 | 109.6° | 109.5° |
| C31 | C21 | H29 | 109.6° | 109.5° |
| C21 | C31 | H30 | 109.1° | 109.4° |
| C21 | C31 | H31 | 109.1° | 109.4° |
| C15 | C16 | C17 | 111.4° | 109.4° |
| C16 | C15 | H7 | 108.5° | 109.5° |
| C15 | C16 | H8 | 109.0° | 109.5° |
| C15 | C16 | H9 | 109.0° | 109.5° |
| C16 | C17 | C18 | 110.7° | 109.5° |
| C17 | C16 | H8 | 109.0° | 109.5° |
| C17 | C16 | H9 | 109.0° | 109.4° |
| C16 | C17 | H11 | 109.2° | 109.5° |
| C16 | C17 | H12 | 109.2° | 109.5° |
| C31 | C41 | C51 | 110.4° | 109.5° |
| C41 | C31 | H30 | 109.1° | 109.5° |
| C41 | C31 | H31 | 109.1° | 109.5° |
| C31 | C41 | H32 | 109.2° | 109.5° |
| C31 | C41 | H33 | 109.2° | 109.5° |
| C17 | C18 | C7 | 110.9° | 109.5° |
| C18 | C17 | H11 | 109.2° | 109.4° |
| C18 | C17 | H12 | 109.2° | 109.4° |
| C17 | C18 | H14 | 109.1° | 109.5° |
| C17 | C18 | H15 | 109.1° | 109.5° |
| C18 | C7 | C8 | 111.0° | 109.5° |
| C7 | C18 | H14 | 109.1° | 109.5° |
| C7 | C18 | H15 | 109.1° | 109.5° |
| C18 | C7 | H16 | 109.1° | 109.5° |
| C18 | C7 | H17 | 109.1° | 109.5° |
| C51 | C41 | H32 | 109.3° | 109.4° |
| C51 | C41 | H33 | 109.2° | 109.5° |
| C41 | C51 | H34 | 109.5° | 109.5° |
| C41 | C51 | H35 | 109.5° | 109.5° |
| C41 | C51 | H36 | 109.4° | 109.4° |
| C7 | C8 | C9 | 110.7° | 109.5° |
| C8 | C7 | H16 | 109.1° | 109.4° |
| C8 | C7 | H17 | 109.1° | 109.5° |
| C7 | C8 | H18 | 109.2° | 109.5° |
| C7 | C8 | H19 | 109.2° | 109.5° |
| C8 | C9 | C10 | 111.2° | 109.5° |
| C9 | C8 | H18 | 109.2° | 109.5° |
| C9 | C8 | H19 | 109.2° | 109.5° |
| C8 | C9 | H20 | 109.0° | 109.5° |
| C8 | C9 | H21 | 109.0° | 109.5° |
| C9 | C10 | C11 | 110.8° | 109.5° |
| C10 | C9 | H20 | 109.0° | 109.5° |
| C10 | C9 | H21 | 109.0° | 109.5° |
| C9 | C10 | H22 | 109.1° | 109.5° |
| C9 | C10 | H23 | 109.1° | 109.5° |
| C11 | C10 | H22 | 109.2° | 109.5° |
| C11 | C10 | H23 | 109.2° | 109.5° |
| C10 | C11 | H24 | 109.5° | 109.5° |
| C10 | C11 | H25 | 109.4° | 109.5° |
| C10 | C11 | H26 | 109.5° | 109.5° |
| H38 | C14 | H6 | 109.5° | 109.5° |
| H8 | C16 | H9 | 109.5° | 109.5° |
| H11 | C17 | H12 | 109.5° | 109.5° |
| H14 | C18 | H15 | 109.5° | 109.5° |
| H16 | C7 | H17 | 109.5° | 109.5° |
| H18 | C8 | H19 | 109.4° | 109.5° |
| H20 | C9 | H21 | 109.5° | 109.5° |
| H22 | C10 | H23 | 109.5° | 109.5° |
| H24 | C11 | H25 | 109.4° | 109.5° |
| H24 | C11 | H26 | 109.5° | 109.5° |
| H25 | C11 | H26 | 109.5° | 109.5° |
| H28 | C21 | H29 | 109.4° | 109.4° |
| H30 | C31 | H31 | 109.5° | 109.5° |
| H32 | C41 | H33 | 109.4° | 109.4° |
| H34 | C51 | H35 | 109.5° | 109.5° |
| H34 | C51 | H36 | 109.5° | 109.4° |
| H35 | C51 | H36 | 109.5° | 109.5° |
| H1 | C1 | O1 | 106.3° | 109.5° |
| H61 | C6 | H62 | 109.5° | 109.4° |
| C1 | O1 | H39 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C6 | C5 | H61 | 119.9° | 120.0° |
| O6 | C6 | C5 | H62 | 120.0° | 120.0° |
| O6 | C6 | C5 | O5 | 46.9° | 65.0° |
| O6 | C6 | C5 | C4 | 169.0° | 175.1° |
| O6 | C6 | C5 | H5 | 71.5° | 55.0° |
| O6 | C6 | H61 | H62 | 120.2° | 120.0° |
| C6 | C5 | O5 | C4 | 124.1° | 120.0° |
| C6 | C5 | O5 | H5 | 117.5° | 120.1° |
| C6 | C5 | C4 | H5 | 119.4° | 120.1° |
| C6 | C5 | O5 | C1 | 177.5° | 178.9° |
| C6 | C5 | C4 | O4 | 59.8° | 62.6° |
| C6 | C5 | C4 | C3 | 178.6° | 177.6° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| C6 | C5 | C4 | H4 | 60.3° | 57.6° |
| C5 | C6 | H61 | H62 | 120.2° | 120.0° |
| O9 | P1 | O8 | O4 | 112.4° | 120.1° |
| O9 | P1 | O8 | O7 | 119.7° | 120.0° |
| O9 | P1 | O4 | O7 | 122.2° | 120.0° |
| O9 | P1 | O4 | C4 | 72.7° | 55.0° |
| O9 | P1 | O7 | H10 | 0.0° | 60.0° |
| O9 | P1 | O8 | H13 | 0.0° | 180.0° |
| O5 | C5 | C4 | H5 | 119.1° | 120.0° |
| O5 | C5 | C4 | O4 | 178.8° | 177.5° |
| O5 | C5 | C4 | C3 | 57.1° | 57.6° |
| C5 | O5 | C1 | C2 | 57.4° | 61.1° |
| C5 | O5 | C1 | H1 | 55.7° | 58.9° |
| O5 | C5 | C4 | H4 | 61.2° | 62.3° |
| O5 | C5 | C6 | H61 | 73.0° | 55.0° |
| O5 | C5 | C6 | H62 | 166.9° | 175.0° |
| C5 | O5 | C1 | O1 | 163.6° | 178.9° |
| C4 | C5 | O5 | C1 | 58.3° | 61.1° |
| C5 | C4 | O4 | P1 | 131.9° | 120.3° |
| C5 | C4 | O4 | C3 | 121.7° | 119.7° |
| C5 | C4 | O4 | H4 | 119.3° | 120.3° |
| C5 | C4 | C3 | H4 | 118.3° | 120.0° |
| C5 | C4 | C3 | C2 | 56.4° | 57.0° |
| C5 | C4 | C3 | O3 | 177.2° | 176.8° |
| C5 | C4 | C3 | H3 | 62.0° | 62.9° |
| C4 | C5 | C6 | H61 | 49.1° | 64.9° |
| C4 | C5 | C6 | H62 | 71.0° | 55.1° |
| O5 | C1 | C2 | H1 | 113.8° | 120.0° |
| O5 | C1 | C2 | O1 | 116.4° | 120.0° |
| O5 | C1 | C2 | C3 | 54.4° | 57.6° |
| O5 | C1 | C2 | N2 | 176.4° | 177.5° |
| O5 | C1 | H1 | O1 | 98.1° | 120.0° |
| O5 | C1 | C2 | H2 | 64.2° | 62.4° |
| C1 | O5 | C5 | H5 | 60.0° | 58.9° |
| O5 | C1 | O1 | H39 | 180.0° | 60.0° |
| O8 | P1 | O4 | O7 | 122.4° | 119.9° |
| O8 | P1 | O4 | C4 | 171.9° | 65.1° |
| O8 | P1 | O7 | H10 | 119.7° | 60.0° |
| P1 | O4 | C4 | C3 | 106.3° | 120.0° |
| O4 | P1 | O7 | H10 | 119.8° | 180.0° |
| O4 | P1 | O8 | H13 | 112.4° | 59.9° |
| P1 | O4 | C4 | H4 | 12.6° | 0.1° |
| O7 | P1 | O4 | C4 | 49.5° | 175.0° |
| O7 | P1 | O8 | H13 | 119.7° | 60.0° |
| O4 | C4 | C3 | H4 | 119.7° | 120.1° |
| O4 | C4 | C3 | C2 | 178.3° | 176.9° |
| O4 | C4 | C3 | O3 | 60.8° | 63.3° |
| O4 | C4 | C3 | H3 | 59.9° | 57.0° |
| O4 | C4 | C5 | H5 | 59.7° | 57.5° |
| C4 | C3 | C2 | C1 | 54.6° | 57.0° |
| C4 | C3 | C2 | O3 | 121.5° | 119.9° |
| C4 | C3 | C2 | H3 | 118.4° | 119.9° |
| C4 | C3 | O3 | H3 | 120.0° | 120.3° |
| C4 | C3 | C2 | N2 | 176.0° | 176.9° |
| C4 | C3 | O3 | HO3 | 180.0° | 60.5° |
| C4 | C3 | C2 | H2 | 64.0° | 62.9° |
| C3 | C4 | C5 | H5 | 62.0° | 62.4° |
| C1 | C2 | C3 | N2 | 121.4° | 119.9° |
| C1 | C2 | C3 | H2 | 118.6° | 119.9° |
| C1 | C2 | C3 | O3 | 176.1° | 176.8° |
| C1 | C2 | N2 | H2 | 118.8° | 120.1° |
| C1 | C2 | N2 | C13 | 84.6° | 85.0° |
| C1 | C2 | N2 | HN21 | 152.1° | 151.0° |
| C2 | C1 | H1 | O1 | 144.1° | 120.0° |
| C1 | C2 | C3 | H3 | 63.8° | 62.9° |
| C2 | C1 | O1 | H39 | 56.6° | 179.9° |
| C2 | C3 | O3 | H3 | 119.4° | 120.2° |
| C3 | C2 | N2 | H2 | 119.5° | 120.2° |
| C3 | C2 | N2 | C13 | 153.7° | 155.3° |
| C3 | C2 | N2 | HN21 | 30.3° | 31.3° |
| C2 | C3 | O3 | HO3 | 59.3° | 180.0° |
| C3 | C2 | C1 | H1 | 59.3° | 62.4° |
| C2 | C3 | C4 | H4 | 61.9° | 63.1° |
| C3 | C2 | C1 | O1 | 170.9° | 177.6° |
| O3 | C3 | C2 | N2 | 62.4° | 63.3° |
| O3 | C3 | C2 | H2 | 57.6° | 56.9° |
| O3 | C3 | C4 | H4 | 58.9° | 56.8° |
| C2 | N2 | C13 | HN21 | 123.3° | 124.0° |
| C2 | N2 | C13 | O2 | 16.3° | 100.0° |
| C2 | N2 | C13 | C14 | 148.6° | 140.0° |
| C2 | N2 | C13 | H37 | 94.6° | 20.0° |
| N2 | C2 | C1 | H1 | 62.7° | 57.5° |
| N2 | C2 | C3 | H3 | 57.7° | 57.0° |
| N2 | C2 | C1 | O1 | 67.2° | 62.5° |
| N2 | C13 | O2 | C14 | 132.7° | 120.0° |
| N2 | C13 | O2 | H37 | 109.2° | 120.0° |
| N2 | C13 | C14 | H37 | 117.2° | 120.0° |
| N2 | C13 | C14 | C15 | 122.2° | 175.0° |
| N2 | C13 | C14 | H38 | 1.8° | 65.0° |
| N2 | C13 | C14 | H6 | 117.5° | 55.0° |
| N2 | C13 | O2 | H27 | 180.0° | 60.0° |
| C13 | N2 | C2 | H2 | 34.2° | 35.1° |
| O2 | C13 | C14 | H37 | 119.7° | 120.1° |
| O2 | C13 | C14 | C15 | 0.9° | 65.0° |
| O2 | C13 | N2 | HN21 | 107.1° | 24.0° |
| O2 | C13 | C14 | H38 | 121.3° | 55.0° |
| O2 | C13 | C14 | H6 | 119.4° | 175.0° |
| C13 | C14 | C15 | H38 | 120.4° | 120.0° |
| C13 | C14 | C15 | H6 | 120.3° | 120.0° |
| C13 | C14 | C15 | O11 | 41.2° | 65.0° |
| C13 | C14 | C15 | C16 | 80.1° | 175.0° |
| C14 | C13 | N2 | HN21 | 25.3° | 96.0° |
| C13 | C14 | H38 | H6 | 118.9° | 120.0° |
| C13 | C14 | C15 | H7 | 161.2° | 55.0° |
| C14 | C13 | O2 | H27 | 47.3° | 59.9° |
| O10 | C12 | O11 | C21 | 162.9° | 179.9° |
| O10 | C12 | O11 | C15 | 113.4° | 0.1° |
| O10 | C12 | C21 | C31 | 123.6° | 0.1° |
| O10 | C12 | C21 | H28 | 116.4° | 119.9° |
| O10 | C12 | C21 | H29 | 3.7° | 120.1° |
| C12 | O11 | C15 | C14 | 117.0° | 150.0° |
| O11 | C12 | C21 | C31 | 70.3° | 180.0° |
| C12 | O11 | C15 | C16 | 121.4° | 90.1° |
| C12 | O11 | C15 | H7 | 2.3° | 30.0° |
| O11 | C12 | C21 | H28 | 49.7° | 60.0° |
| O11 | C12 | C21 | H29 | 169.8° | 60.0° |
| C21 | C12 | O11 | C15 | 83.7° | 180.0° |
| C12 | C21 | C31 | H28 | 119.9° | 120.0° |
| C12 | C21 | C31 | H29 | 119.9° | 120.0° |
| C12 | C21 | C31 | C41 | 132.7° | 180.0° |
| C12 | C21 | H28 | H29 | 120.2° | 120.0° |
| C12 | C21 | C31 | H30 | 107.1° | 60.0° |
| C12 | C21 | C31 | H31 | 12.5° | 60.0° |
| C14 | C15 | O11 | C16 | 121.7° | 120.0° |
| C14 | C15 | O11 | H7 | 119.3° | 120.0° |
| C14 | C15 | C16 | H7 | 118.7° | 120.0° |
| C14 | C15 | C16 | C17 | 69.5° | 175.0° |
| C15 | C14 | C13 | H37 | 120.7° | 55.0° |
| C15 | C14 | H38 | H6 | 119.0° | 120.0° |
| C14 | C15 | C16 | H8 | 50.8° | 55.0° |
| C14 | C15 | C16 | H9 | 170.2° | 65.1° |
| O11 | C15 | C16 | H7 | 119.8° | 120.0° |
| O11 | C15 | C16 | C17 | 169.0° | 65.0° |
| O11 | C15 | C14 | H38 | 79.2° | 175.0° |
| O11 | C15 | C14 | H6 | 161.5° | 55.0° |
| O11 | C15 | C16 | H8 | 70.8° | 175.0° |
| O11 | C15 | C16 | H9 | 48.6° | 54.9° |
| C21 | C31 | C41 | H30 | 120.2° | 120.0° |
| C21 | C31 | C41 | H31 | 120.2° | 119.9° |
| C21 | C31 | C41 | C51 | 165.0° | 180.0° |
| C31 | C21 | H28 | H29 | 120.2° | 120.0° |
| C21 | C31 | H30 | H31 | 119.3° | 119.9° |
| C21 | C31 | C41 | H32 | 44.8° | 60.0° |
| C21 | C31 | C41 | H33 | 74.9° | 60.0° |
| C15 | C16 | C17 | H8 | 120.3° | 120.0° |
| C15 | C16 | C17 | H9 | 120.3° | 119.9° |
| C15 | C16 | C17 | C18 | 175.0° | 180.0° |
| C16 | C15 | C14 | H38 | 159.5° | 55.0° |
| C16 | C15 | C14 | H6 | 40.2° | 65.0° |
| C15 | C16 | H8 | H9 | 119.1° | 120.1° |
| C15 | C16 | C17 | H11 | 54.8° | 60.0° |
| C15 | C16 | C17 | H12 | 64.8° | 60.1° |
| C16 | C17 | C18 | H11 | 120.2° | 120.1° |
| C16 | C17 | C18 | H12 | 120.2° | 119.9° |
| C16 | C17 | C18 | C7 | 167.8° | 180.0° |
| C17 | C16 | C15 | H7 | 49.2° | 55.0° |
| C17 | C16 | H8 | H9 | 119.1° | 120.0° |
| C16 | C17 | H11 | H12 | 119.5° | 120.1° |
| C16 | C17 | C18 | H14 | 72.0° | 60.0° |
| C16 | C17 | C18 | H15 | 47.5° | 60.0° |
| C31 | C41 | C51 | H32 | 120.1° | 120.0° |
| C31 | C41 | C51 | H33 | 120.1° | 120.0° |
| C41 | C31 | C21 | H28 | 12.8° | 59.9° |
| C41 | C31 | C21 | H29 | 107.3° | 60.0° |
| C41 | C31 | H30 | H31 | 119.3° | 120.1° |
| C31 | C41 | H32 | H33 | 119.6° | 120.0° |
| C31 | C41 | C51 | H34 | 180.0° | 60.0° |
| C31 | C41 | C51 | H35 | 60.0° | 180.0° |
| C31 | C41 | C51 | H36 | 60.0° | 60.0° |
| C17 | C18 | C7 | H14 | 120.2° | 120.0° |
| C17 | C18 | C7 | H15 | 120.2° | 120.0° |
| C17 | C18 | C7 | C8 | 172.2° | 180.0° |
| C18 | C17 | C16 | H8 | 64.7° | 60.0° |
| C18 | C17 | C16 | H9 | 54.7° | 60.1° |
| C18 | C17 | H11 | H12 | 119.4° | 119.9° |
| C17 | C18 | H14 | H15 | 119.3° | 120.0° |
| C17 | C18 | C7 | H16 | 51.9° | 60.0° |
| C17 | C18 | C7 | H17 | 67.6° | 60.0° |
| C18 | C7 | C8 | H16 | 120.2° | 120.0° |
| C18 | C7 | C8 | H17 | 120.2° | 120.0° |
| C18 | C7 | C8 | C9 | 153.9° | 180.0° |
| C7 | C18 | C17 | H11 | 47.6° | 60.0° |
| C7 | C18 | C17 | H12 | 72.0° | 60.0° |
| C7 | C18 | H14 | H15 | 119.4° | 120.0° |
| C18 | C7 | H16 | H17 | 119.3° | 120.0° |
| C18 | C7 | C8 | H18 | 85.9° | 60.0° |
| C18 | C7 | C8 | H19 | 33.7° | 60.0° |
| C51 | C41 | C31 | H30 | 74.8° | 60.0° |
| C51 | C41 | C31 | H31 | 44.8° | 60.1° |
| C51 | C41 | H32 | H33 | 119.6° | 120.0° |
| C41 | C51 | H34 | H35 | 120.0° | 120.1° |
| C41 | C51 | H34 | H36 | 120.0° | 120.0° |
| C41 | C51 | H35 | H36 | 120.0° | 120.0° |
| C7 | C8 | C9 | H18 | 120.2° | 120.0° |
| C7 | C8 | C9 | H19 | 120.2° | 120.0° |
| C7 | C8 | C9 | C10 | 176.3° | 180.0° |
| C8 | C7 | C18 | H14 | 67.6° | 60.0° |
| C8 | C7 | C18 | H15 | 51.9° | 60.0° |
| C8 | C7 | H16 | H17 | 119.3° | 119.9° |
| C7 | C8 | H18 | H19 | 119.4° | 120.0° |
| C7 | C8 | C9 | H20 | 56.1° | 60.0° |
| C7 | C8 | C9 | H21 | 63.4° | 60.0° |
| C8 | C9 | C10 | H20 | 120.3° | 120.0° |
| C8 | C9 | C10 | H21 | 120.2° | 120.0° |
| C8 | C9 | C10 | C11 | 168.1° | 180.0° |
| C9 | C8 | C7 | H16 | 33.7° | 60.0° |
| C9 | C8 | C7 | H17 | 85.9° | 60.0° |
| C9 | C8 | H18 | H19 | 119.4° | 120.0° |
| C8 | C9 | H20 | H21 | 119.2° | 120.0° |
| C8 | C9 | C10 | H22 | 71.7° | 60.0° |
| C8 | C9 | C10 | H23 | 47.9° | 60.0° |
| C9 | C10 | C11 | H22 | 120.2° | 120.0° |
| C9 | C10 | C11 | H23 | 120.2° | 120.0° |
| C10 | C9 | C8 | H18 | 63.5° | 60.0° |
| C10 | C9 | C8 | H19 | 56.1° | 60.0° |
| C10 | C9 | H20 | H21 | 119.2° | 120.0° |
| C9 | C10 | H22 | H23 | 119.4° | 120.0° |
| C9 | C10 | C11 | H24 | 180.0° | 60.0° |
| C9 | C10 | C11 | H25 | 60.0° | 60.0° |
| C9 | C10 | C11 | H26 | 60.0° | 180.0° |
| C11 | C10 | C9 | H20 | 47.8° | 60.0° |
| C11 | C10 | C9 | H21 | 71.7° | 60.0° |
| C11 | C10 | H22 | H23 | 119.4° | 120.0° |
| C10 | C11 | H24 | H25 | 120.0° | 120.0° |
| C10 | C11 | H24 | H26 | 120.0° | 120.0° |
| C10 | C11 | H25 | H26 | 120.0° | 120.0° |
| HN21 | N2 | C13 | H37 | 142.0° | 144.0° |
| HN21 | N2 | C2 | H2 | 89.1° | 88.9° |
| HO6 | O6 | C6 | H61 | 60.1° | 60.0° |
| HO6 | O6 | C6 | H62 | 60.0° | 60.0° |
| H37 | C13 | C14 | H38 | 119.0° | 175.0° |
| H37 | C13 | C14 | H6 | 0.3° | 64.9° |
| H37 | C13 | O2 | H27 | 70.8° | 180.0° |
| H38 | C14 | C15 | H7 | 40.8° | 65.0° |
| H6 | C14 | C15 | H7 | 78.5° | 175.0° |
| H7 | C15 | C16 | H8 | 169.5° | 65.0° |
| H7 | C15 | C16 | H9 | 71.1° | 175.0° |
| H8 | C16 | C17 | H11 | 175.1° | 180.0° |
| H8 | C16 | C17 | H12 | 55.5° | 59.9° |
| H9 | C16 | C17 | H11 | 65.5° | 59.9° |
| H9 | C16 | C17 | H12 | 174.9° | 180.0° |
| H11 | C17 | C18 | H14 | 167.8° | 180.0° |
| H11 | C17 | C18 | H15 | 72.7° | 60.0° |
| H12 | C17 | C18 | H14 | 48.2° | 60.0° |
| H12 | C17 | C18 | H15 | 167.7° | 180.0° |
| H14 | C18 | C7 | H16 | 172.1° | 180.0° |
| H14 | C18 | C7 | H17 | 52.6° | 60.0° |
| H15 | C18 | C7 | H16 | 68.3° | 60.0° |
| H15 | C18 | C7 | H17 | 172.1° | 180.0° |
| H16 | C7 | C8 | H18 | 153.9° | 180.0° |
| H16 | C7 | C8 | H19 | 86.5° | 60.0° |
| H17 | C7 | C8 | H18 | 34.3° | 60.0° |
| H17 | C7 | C8 | H19 | 153.9° | 180.0° |
| H18 | C8 | C9 | H20 | 176.3° | 180.0° |
| H18 | C8 | C9 | H21 | 56.8° | 60.0° |
| H19 | C8 | C9 | H20 | 64.1° | 60.0° |
| H19 | C8 | C9 | H21 | 176.4° | 180.0° |
| H20 | C9 | C10 | H22 | 168.1° | NaN° |
| H20 | C9 | C10 | H23 | 72.4° | 60.0° |
| H21 | C9 | C10 | H22 | 48.6° | 60.0° |
| H21 | C9 | C10 | H23 | 168.1° | 180.0° |
| H22 | C10 | C11 | H24 | 59.8° | 180.0° |
| H22 | C10 | C11 | H25 | 179.8° | 60.0° |
| H22 | C10 | C11 | H26 | 60.2° | 60.0° |
| H23 | C10 | C11 | H24 | 59.8° | 60.0° |
| H23 | C10 | C11 | H25 | 60.2° | 180.0° |
| H23 | C10 | C11 | H26 | 179.8° | 60.0° |
| H24 | C11 | H25 | H26 | 120.0° | 120.0° |
| H28 | C21 | C31 | H30 | 133.0° | 180.0° |
| H28 | C21 | C31 | H31 | 107.4° | 60.0° |
| H29 | C21 | C31 | H30 | 12.9° | 60.0° |
| H29 | C21 | C31 | H31 | 132.5° | 180.0° |
| H30 | C31 | C41 | H32 | 165.1° | 180.0° |
| H30 | C31 | C41 | H33 | 45.4° | 60.0° |
| H31 | C31 | C41 | H32 | 75.4° | 59.9° |
| H31 | C31 | C41 | H33 | 164.9° | 179.9° |
| H32 | C41 | C51 | H34 | 59.8° | 60.0° |
| H32 | C41 | C51 | H35 | 179.9° | 60.0° |
| H32 | C41 | C51 | H36 | 60.2° | NaN° |
| H33 | C41 | C51 | H34 | 59.9° | 180.0° |
| H33 | C41 | C51 | H35 | 60.1° | 60.0° |
| H33 | C41 | C51 | H36 | 179.9° | 60.0° |
| H34 | C51 | H35 | H36 | 120.0° | 120.0° |
| HO3 | O3 | C3 | H3 | 60.0° | 59.8° |
| H1 | C1 | C2 | H2 | 178.0° | 177.7° |
| H1 | C1 | O1 | H39 | 72.7° | 60.0° |
| H2 | C2 | C3 | H3 | 177.7° | 177.2° |
| H2 | C2 | C1 | O1 | 52.2° | 57.7° |
| H3 | C3 | C4 | H4 | 179.7° | 177.1° |
| H4 | C4 | C5 | H5 | 179.7° | 177.7° |
| H5 | C5 | C6 | H61 | 168.6° | 175.1° |
| H5 | C5 | C6 | H62 | 48.5° | 65.0° |
