1ZZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | O3 | doub | 1.48Å | 1.45Å | |
| P | O4 | sing | 1.61Å | 1.61Å | |
| N1 | C17 | sing | 1.46Å | 1.39Å | |
| N1 | C18 | sing | 1.36Å | 1.45Å | Aromatic |
| O1 | C12 | doub | 1.21Å | 1.43Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| N2 | C18 | doub | 1.30Å | 1.28Å | Aromatic |
| O2 | P | sing | 1.61Å | 1.66Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| N3 | C20 | doub | 1.33Å | 1.44Å | Aromatic |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| N4 | C21 | doub | 1.32Å | 1.48Å | Aromatic |
| N4 | C22 | sing | 1.33Å | 1.23Å | Aromatic |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| N5 | C22 | sing | 1.38Å | 1.44Å | |
| O5 | P | sing | 1.61Å | 1.67Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| O6 | C14 | sing | 1.44Å | 1.30Å | |
| C7 | C6 | sing | 1.53Å | 1.55Å | |
| O7 | C16 | sing | 1.43Å | 1.11Å | |
| C8 | C7 | sing | 1.53Å | 1.54Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C9 | C10 | sing | 1.53Å | 1.55Å | |
| C10 | C11 | sing | 1.53Å | 1.55Å | |
| C12 | O2 | sing | 1.34Å | 1.43Å | |
| C12 | C11 | sing | 1.51Å | 1.54Å | |
| C13 | O5 | sing | 1.43Å | 1.41Å | |
| C14 | C13 | sing | 1.53Å | 1.40Å | |
| C15 | O8 | sing | 1.43Å | 1.34Å | |
| C15 | C14 | sing | 1.54Å | 1.57Å | |
| C16 | C15 | sing | 1.55Å | 1.32Å | |
| C16 | C17 | sing | 1.54Å | 1.45Å | |
| C17 | O6 | sing | 1.44Å | 1.51Å | |
| C19 | N2 | sing | 1.36Å | 1.49Å | Aromatic |
| C19 | C20 | sing | 1.41Å | 1.30Å | Aromatic |
| C20 | N1 | sing | 1.37Å | 1.43Å | Aromatic |
| C21 | N3 | sing | 1.32Å | 1.31Å | Aromatic |
| C22 | C19 | doub | 1.40Å | 1.51Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| N5 | HN5A | sing | 0.97Å | 1.00Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H34 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H36 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | P | O4 | 110.8° | 109.5° |
| O3 | P | O2 | 108.9° | 109.5° |
| O3 | P | O5 | 110.9° | 109.5° |
| O4 | P | O2 | 107.9° | 109.4° |
| O4 | P | O5 | 107.1° | 109.5° |
| P | O4 | HO4 | 109.5° | 114.0° |
| C17 | N1 | C18 | 125.4° | 126.3° |
| N1 | C17 | C16 | 119.1° | 110.4° |
| N1 | C17 | O6 | 117.1° | 110.4° |
| C17 | N1 | C20 | 127.9° | 126.3° |
| N1 | C17 | H17 | 94.6° | 110.3° |
| N1 | C18 | N2 | 109.6° | 110.0° |
| C18 | N1 | C20 | 106.3° | 107.4° |
| N1 | C18 | H18 | 125.2° | 125.1° |
| O1 | C12 | O2 | 97.9° | 120.0° |
| O1 | C12 | C11 | 106.7° | 120.0° |
| C1 | C2 | C3 | 112.1° | 109.4° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H1A | 109.4° | 109.4° |
| C2 | C1 | H1B | 109.5° | 109.5° |
| C1 | C2 | H2 | 108.6° | 109.5° |
| C1 | C2 | H2A | 108.6° | 109.5° |
| C18 | N2 | C19 | 106.8° | 109.5° |
| N2 | C18 | H18 | 125.2° | 125.0° |
| O2 | P | O5 | 111.2° | 109.5° |
| P | O2 | C12 | 121.1° | 117.0° |
| C2 | C3 | C4 | 110.8° | 109.5° |
| C3 | C2 | H2 | 108.6° | 109.5° |
| C3 | C2 | H2A | 108.6° | 109.5° |
| C2 | C3 | H3 | 109.0° | 109.5° |
| C2 | C3 | H3A | 109.0° | 109.5° |
| N3 | C20 | C19 | 120.8° | 119.1° |
| N3 | C20 | N1 | 132.0° | 134.9° |
| C20 | N3 | C21 | 119.6° | 120.6° |
| C3 | C4 | C5 | 112.9° | 109.5° |
| C4 | C3 | H3 | 109.0° | 109.4° |
| C4 | C3 | H3A | 109.0° | 109.5° |
| C3 | C4 | H4 | 108.4° | 109.4° |
| C3 | C4 | H4A | 108.3° | 109.5° |
| C21 | N4 | C22 | 121.5° | 121.2° |
| N4 | C21 | N3 | 119.6° | 122.5° |
| N4 | C21 | H21 | 120.2° | 118.7° |
| N4 | C22 | N5 | 121.6° | 120.7° |
| N4 | C22 | C19 | 119.5° | 118.4° |
| C4 | C5 | C6 | 108.2° | 109.5° |
| C5 | C4 | H4 | 108.3° | 109.5° |
| C5 | C4 | H4A | 108.3° | 109.5° |
| C4 | C5 | H5 | 109.9° | 109.5° |
| C4 | C5 | H5A | 109.9° | 109.5° |
| N5 | C22 | C19 | 118.9° | 120.8° |
| C22 | N5 | HN5 | 109.5° | 120.1° |
| C22 | N5 | HN5A | 109.5° | 120.0° |
| P | O5 | C13 | 121.1° | 123.0° |
| C5 | C6 | C7 | 122.5° | 109.5° |
| C6 | C5 | H5 | 109.9° | 109.4° |
| C6 | C5 | H5A | 109.9° | 109.5° |
| C5 | C6 | H6 | 105.4° | 109.4° |
| C5 | C6 | H34 | 105.3° | 109.5° |
| O6 | C14 | C13 | 114.6° | 110.4° |
| O6 | C14 | C15 | 106.3° | 104.8° |
| C14 | O6 | C17 | 104.2° | 105.2° |
| O6 | C14 | H14 | 109.6° | 110.4° |
| C6 | C7 | C8 | 119.4° | 109.4° |
| C7 | C6 | H6 | 105.3° | 109.4° |
| C7 | C6 | H34 | 105.4° | 109.5° |
| C6 | C7 | H7 | 106.3° | 109.5° |
| C6 | C7 | H36 | 106.3° | 109.5° |
| O7 | C16 | C15 | 115.1° | 110.5° |
| O7 | C16 | C17 | 113.7° | 110.6° |
| C16 | O7 | HO7 | 109.5° | 114.0° |
| O7 | C16 | H16 | 100.1° | 110.5° |
| C7 | C8 | C9 | 109.1° | 109.4° |
| C7 | C8 | H8 | 109.6° | 109.5° |
| C7 | C8 | H8A | 109.6° | 109.5° |
| C8 | C7 | H7 | 106.3° | 109.5° |
| C8 | C7 | H36 | 106.3° | 109.5° |
| C8 | C9 | C10 | 114.3° | 109.5° |
| C9 | C8 | H8 | 109.6° | 109.4° |
| C9 | C8 | H8A | 109.6° | 109.4° |
| C8 | C9 | H9 | 107.9° | 109.5° |
| C8 | C9 | H9A | 107.9° | 109.5° |
| C9 | C10 | C11 | 108.1° | 109.5° |
| C10 | C9 | H9 | 107.9° | 109.5° |
| C10 | C9 | H9A | 107.9° | 109.5° |
| C9 | C10 | H10 | 109.9° | 109.5° |
| C9 | C10 | H10A | 109.9° | 109.5° |
| C10 | C11 | C12 | 108.6° | 109.5° |
| C11 | C10 | H10 | 109.9° | 109.5° |
| C11 | C10 | H10A | 109.9° | 109.5° |
| C10 | C11 | H11 | 109.8° | 109.4° |
| C10 | C11 | H11A | 109.7° | 109.4° |
| O2 | C12 | C11 | 112.0° | 120.0° |
| C12 | C11 | H11 | 109.8° | 109.5° |
| C12 | C11 | H11A | 109.8° | 109.5° |
| O5 | C13 | C14 | 109.9° | 109.5° |
| O5 | C13 | H13 | 109.3° | 109.4° |
| O5 | C13 | H13A | 109.4° | 109.5° |
| C13 | C14 | C15 | 113.2° | 110.4° |
| C14 | C13 | H13 | 109.3° | 109.5° |
| C14 | C13 | H13A | 109.3° | 109.5° |
| C13 | C14 | H14 | 102.2° | 110.3° |
| O8 | C15 | C14 | 110.1° | 110.5° |
| O8 | C15 | C16 | 114.9° | 110.5° |
| C15 | O8 | HO8 | 109.5° | 113.9° |
| O8 | C15 | H15 | 103.9° | 110.5° |
| C14 | C15 | C16 | 104.8° | 104.1° |
| C15 | C14 | H14 | 111.1° | 110.4° |
| C14 | C15 | H15 | 114.2° | 110.5° |
| C15 | C16 | C17 | 100.3° | 104.0° |
| C16 | C15 | H15 | 109.3° | 110.6° |
| C15 | C16 | H16 | 113.5° | 110.5° |
| C16 | C17 | O6 | 107.3° | 104.9° |
| C17 | C16 | H16 | 114.9° | 110.6° |
| C16 | C17 | H17 | 107.5° | 110.4° |
| O6 | C17 | H17 | 110.0° | 110.5° |
| N2 | C19 | C20 | 110.0° | 107.1° |
| N2 | C19 | C22 | 130.9° | 134.7° |
| C19 | C20 | N1 | 107.1° | 106.0° |
| C20 | C19 | C22 | 118.9° | 118.2° |
| N3 | C21 | H21 | 120.2° | 118.8° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| H1 | C1 | H1B | 109.5° | 109.5° |
| H1A | C1 | H1B | 109.4° | 109.4° |
| H2 | C2 | H2A | 110.3° | 109.5° |
| H3 | C3 | H3A | 109.9° | 109.5° |
| H4 | C4 | H4A | 110.6° | 109.5° |
| H5 | C5 | H5A | 109.0° | 109.5° |
| HN5 | N5 | HN5A | 109.5° | 119.9° |
| H8 | C8 | H8A | 109.3° | 109.5° |
| H9 | C9 | H9A | 111.0° | 109.4° |
| H10 | C10 | H10A | 109.0° | 109.5° |
| H11 | C11 | H11A | 109.2° | 109.5° |
| H13 | C13 | H13A | 109.6° | 109.5° |
| H6 | C6 | H34 | 113.2° | 109.5° |
| H7 | C7 | H36 | 112.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | P | O4 | O2 | 119.2° | 120.0° |
| O3 | P | O4 | O5 | 121.0° | 120.0° |
| O3 | P | O2 | O5 | 122.5° | 120.0° |
| O3 | P | O2 | C12 | 118.8° | 55.0° |
| O3 | P | O5 | C13 | 67.5° | 55.0° |
| O3 | P | O4 | HO4 | 0.0° | 180.0° |
| O4 | P | O2 | O5 | 117.2° | 120.0° |
| O4 | P | O2 | C12 | 120.8° | 65.0° |
| O4 | P | O5 | C13 | 171.5° | 65.0° |
| C17 | N1 | C18 | C20 | 173.2° | 179.7° |
| C17 | N1 | C18 | N2 | 173.5° | 180.0° |
| C17 | N1 | C20 | N3 | 7.0° | 0.0° |
| N1 | C17 | O6 | C14 | 121.2° | 159.4° |
| N1 | C17 | C16 | O7 | 137.2° | 98.5° |
| N1 | C17 | C16 | C15 | 99.4° | 142.8° |
| N1 | C17 | C16 | O6 | 136.0° | 118.9° |
| N1 | C17 | C16 | H17 | 105.7° | 122.2° |
| N1 | C17 | O6 | H17 | 106.4° | 122.2° |
| C17 | N1 | C20 | C19 | 175.5° | 180.0° |
| N1 | C17 | C16 | H16 | 22.7° | 24.1° |
| C17 | N1 | C18 | H18 | 6.5° | 0.0° |
| N1 | C18 | N2 | H18 | 180.0° | 180.0° |
| C18 | N1 | C20 | N3 | 180.0° | 179.7° |
| C18 | N1 | C17 | C16 | 99.9° | 95.0° |
| C18 | N1 | C17 | O6 | 32.0° | 20.5° |
| N1 | C18 | N2 | C19 | 1.7° | 0.1° |
| C18 | N1 | C20 | C19 | 2.5° | 0.3° |
| C18 | N1 | C17 | H17 | 147.2° | 142.8° |
| O1 | C12 | O2 | P | 83.0° | 0.0° |
| O1 | C12 | C11 | C10 | 54.7° | 0.0° |
| O1 | C12 | O2 | C11 | 111.7° | 180.0° |
| O1 | C12 | C11 | H11 | 174.7° | 120.0° |
| O1 | C12 | C11 | H11A | 65.3° | 120.0° |
| C1 | C2 | C3 | H2 | 120.0° | 120.0° |
| C1 | C2 | C3 | H2A | 120.0° | 120.0° |
| C1 | C2 | C3 | C4 | 162.3° | 180.0° |
| C2 | C1 | H1 | H1A | 120.0° | 120.0° |
| C2 | C1 | H1 | H1B | 120.0° | 120.1° |
| C2 | C1 | H1A | H1B | 120.0° | 120.0° |
| C1 | C2 | H2 | H2A | 119.0° | 120.0° |
| C1 | C2 | C3 | H3 | 77.7° | 60.0° |
| C1 | C2 | C3 | H3A | 42.3° | 60.0° |
| C18 | N2 | C19 | C20 | 3.5° | 0.1° |
| N2 | C18 | N1 | C20 | 0.3° | 0.3° |
| C18 | N2 | C19 | C22 | 177.9° | 180.0° |
| P | O2 | C12 | C11 | 165.3° | 180.0° |
| O2 | P | O5 | C13 | 53.9° | 175.0° |
| O2 | P | O4 | HO4 | 119.2° | 60.0° |
| C2 | C3 | C4 | H3 | 120.0° | 120.0° |
| C2 | C3 | C4 | H3A | 120.0° | 120.1° |
| C2 | C3 | C4 | C5 | 161.8° | 180.0° |
| C3 | C2 | C1 | H1 | 180.0° | 60.0° |
| C3 | C2 | C1 | H1A | 60.0° | 180.0° |
| C3 | C2 | C1 | H1B | 60.0° | 60.0° |
| C3 | C2 | H2 | H2A | 118.9° | 120.1° |
| C2 | C3 | H3 | H3A | 119.5° | 120.1° |
| C2 | C3 | C4 | H4 | 78.3° | 60.0° |
| C2 | C3 | C4 | H4A | 41.8° | 59.9° |
| C20 | N3 | C21 | N4 | 4.1° | 0.0° |
| N3 | C20 | C19 | N2 | 178.5° | 179.8° |
| N3 | C20 | C19 | N1 | 177.8° | 180.0° |
| N3 | C20 | C19 | C22 | 3.4° | 0.2° |
| C20 | N3 | C21 | H21 | 175.9° | 179.8° |
| C3 | C4 | C5 | H4 | 120.0° | 120.0° |
| C3 | C4 | C5 | H4A | 120.0° | 120.0° |
| C3 | C4 | C5 | C6 | 175.0° | 180.0° |
| C4 | C3 | C2 | H2 | 42.3° | 60.0° |
| C4 | C3 | C2 | H2A | 77.7° | 60.0° |
| C4 | C3 | H3 | H3A | 119.5° | 120.0° |
| C3 | C4 | H4 | H4A | 118.6° | 120.0° |
| C3 | C4 | C5 | H5 | 54.9° | 60.0° |
| C3 | C4 | C5 | H5A | 65.0° | 60.0° |
| C21 | N4 | C22 | N5 | 178.0° | 179.9° |
| N4 | C21 | N3 | H21 | 180.0° | 179.9° |
| C21 | N4 | C22 | C19 | 0.3° | 0.3° |
| N4 | C22 | N5 | C19 | 178.3° | 179.6° |
| N4 | C22 | C19 | N2 | 177.8° | 179.6° |
| N4 | C22 | C19 | C20 | 3.8° | 0.3° |
| C22 | N4 | C21 | N3 | 3.7° | 0.1° |
| N4 | C22 | N5 | HN5 | 0.0° | 0.0° |
| N4 | C22 | N5 | HN5A | 120.0° | 180.0° |
| C22 | N4 | C21 | H21 | 176.3° | 180.0° |
| C4 | C5 | C6 | H5 | 120.0° | 120.0° |
| C4 | C5 | C6 | H5A | 120.0° | 120.0° |
| C4 | C5 | C6 | C7 | 173.1° | 180.0° |
| C5 | C4 | C3 | H3 | 41.8° | 60.0° |
| C5 | C4 | C3 | H3A | 78.2° | 60.0° |
| C5 | C4 | H4 | H4A | 118.6° | 120.0° |
| C4 | C5 | H5 | H5A | 120.5° | 120.0° |
| C4 | C5 | C6 | H6 | 66.9° | 60.0° |
| C4 | C5 | C6 | H34 | 53.1° | 60.0° |
| N5 | C22 | C19 | N2 | 0.5° | 0.0° |
| N5 | C22 | C19 | C20 | 174.5° | 180.0° |
| C22 | N5 | HN5 | HN5A | 120.0° | 180.0° |
| O5 | P | O2 | C12 | 3.7° | 175.0° |
| P | O5 | C13 | C14 | 178.3° | 180.0° |
| O5 | P | O4 | HO4 | 121.0° | 60.0° |
| P | O5 | C13 | H13 | 58.4° | 60.0° |
| P | O5 | C13 | H13A | 61.6° | 60.0° |
| C5 | C6 | C7 | H6 | 120.0° | 119.9° |
| C5 | C6 | C7 | H34 | 120.0° | 120.0° |
| C5 | C6 | C7 | C8 | 173.9° | 180.0° |
| C6 | C5 | C4 | H4 | 65.1° | 60.0° |
| C6 | C5 | C4 | H4A | 55.0° | 60.0° |
| C6 | C5 | H5 | H5A | 120.5° | 120.0° |
| C5 | C6 | H6 | H34 | 114.6° | 120.0° |
| C5 | C6 | C7 | H7 | 53.9° | 60.0° |
| C5 | C6 | C7 | H36 | 66.1° | 60.0° |
| O6 | C14 | C13 | O5 | 72.5° | 66.4° |
| O6 | C14 | C13 | C15 | 122.1° | 115.4° |
| O6 | C14 | C13 | H14 | 118.4° | 122.3° |
| O6 | C14 | C15 | O8 | 157.3° | 142.6° |
| O6 | C14 | C15 | H14 | 119.2° | 118.9° |
| O6 | C14 | C15 | C16 | 33.2° | 24.0° |
| C14 | O6 | C17 | C16 | 15.8° | 40.5° |
| O6 | C14 | C13 | H13 | 47.5° | 53.5° |
| O6 | C14 | C13 | H13A | 167.5° | 173.6° |
| O6 | C14 | C15 | H15 | 86.3° | 94.8° |
| C14 | O6 | C17 | H17 | 132.4° | 78.4° |
| C6 | C7 | C8 | H7 | 120.0° | 120.0° |
| C6 | C7 | C8 | H36 | 120.0° | 120.0° |
| C6 | C7 | C8 | C9 | 82.7° | 180.0° |
| C7 | C6 | C5 | H5 | 53.1° | 60.0° |
| C7 | C6 | C5 | H5A | 66.9° | 59.9° |
| C6 | C7 | C8 | H8 | 37.3° | 60.1° |
| C6 | C7 | C8 | H8A | 157.3° | 60.0° |
| C7 | C6 | H6 | H34 | 114.6° | 120.1° |
| C6 | C7 | H7 | H36 | 115.9° | 120.1° |
| O7 | C16 | C15 | O8 | 38.8° | 0.0° |
| O7 | C16 | C15 | C14 | 82.1° | 118.7° |
| O7 | C16 | C15 | C17 | 122.4° | 118.7° |
| O7 | C16 | C15 | H16 | 114.5° | 122.6° |
| O7 | C16 | C17 | H16 | 114.5° | 122.7° |
| O7 | C16 | C17 | O6 | 86.8° | 142.6° |
| O7 | C16 | C15 | H15 | 155.1° | 122.6° |
| O7 | C16 | C17 | H17 | 31.5° | 23.7° |
| C7 | C8 | C9 | H8 | 120.0° | 120.0° |
| C7 | C8 | C9 | H8A | 120.0° | 120.0° |
| C7 | C8 | C9 | C10 | 150.9° | 180.0° |
| C7 | C8 | H8 | H8A | 120.2° | 120.1° |
| C7 | C8 | C9 | H9 | 89.1° | 60.0° |
| C7 | C8 | C9 | H9A | 30.9° | 60.0° |
| C8 | C7 | C6 | H6 | 66.1° | 60.1° |
| C8 | C7 | C6 | H34 | 53.9° | 60.0° |
| C8 | C7 | H7 | H36 | 115.9° | 120.0° |
| C8 | C9 | C10 | H9 | 120.0° | 120.0° |
| C8 | C9 | C10 | H9A | 120.0° | 120.0° |
| C8 | C9 | C10 | C11 | 169.0° | 180.0° |
| C9 | C8 | H8 | H8A | 120.1° | 119.9° |
| C8 | C9 | H9 | H9A | 118.0° | 120.0° |
| C8 | C9 | C10 | H10 | 49.1° | 60.0° |
| C8 | C9 | C10 | H10A | 71.0° | 60.0° |
| C9 | C8 | C7 | H7 | 157.3° | 60.0° |
| C9 | C8 | C7 | H36 | 37.3° | 60.0° |
| C9 | C10 | C11 | H10 | 120.0° | 120.0° |
| C9 | C10 | C11 | H10A | 120.0° | 120.0° |
| C9 | C10 | C11 | C12 | 152.4° | 180.0° |
| C10 | C9 | C8 | H8 | 30.9° | 60.0° |
| C10 | C9 | C8 | H8A | 89.1° | 60.0° |
| C10 | C9 | H9 | H9A | 118.0° | 120.0° |
| C9 | C10 | H10 | H10A | 120.6° | 120.0° |
| C9 | C10 | C11 | H11 | 32.4° | 60.0° |
| C9 | C10 | C11 | H11A | 87.6° | 60.0° |
| C10 | C11 | C12 | O2 | 160.8° | 180.0° |
| C10 | C11 | C12 | H11 | 120.0° | 120.0° |
| C10 | C11 | C12 | H11A | 120.0° | 120.0° |
| C11 | C10 | C9 | H9 | 70.9° | 60.0° |
| C11 | C10 | C9 | H9A | 49.0° | 60.0° |
| C11 | C10 | H10 | H10A | 120.5° | 120.0° |
| C10 | C11 | H11 | H11A | 120.3° | 119.9° |
| O2 | C12 | C11 | H11 | 79.2° | 60.0° |
| O2 | C12 | C11 | H11A | 40.8° | 60.0° |
| C12 | C11 | C10 | H10 | 87.6° | 60.0° |
| C12 | C11 | C10 | H10A | 32.4° | 60.0° |
| C12 | C11 | H11 | H11A | 120.4° | 120.1° |
| O5 | C13 | C14 | H13 | 120.0° | 119.9° |
| O5 | C13 | C14 | H13A | 120.0° | 120.0° |
| O5 | C13 | C14 | C15 | 165.5° | 178.2° |
| O5 | C13 | H13 | H13A | 119.9° | 120.0° |
| O5 | C13 | C14 | H14 | 45.9° | 55.9° |
| C13 | C14 | C15 | O8 | 76.1° | 98.5° |
| C13 | C14 | C15 | H14 | 114.3° | 122.3° |
| C13 | C14 | C15 | C16 | 159.8° | 142.8° |
| C13 | C14 | O6 | C17 | 134.2° | 159.3° |
| C14 | C13 | H13 | H13A | 119.8° | 120.0° |
| C13 | C14 | C15 | H15 | 40.2° | 24.0° |
| O8 | C15 | C14 | C16 | 124.1° | 118.7° |
| O8 | C15 | C14 | H15 | 116.4° | 122.6° |
| O8 | C15 | C16 | H15 | 116.3° | 122.7° |
| O8 | C15 | C16 | C17 | 161.2° | 118.7° |
| O8 | C15 | C14 | H14 | 38.1° | 23.8° |
| O8 | C15 | C16 | H16 | 75.7° | 122.6° |
| C14 | C15 | C16 | H15 | 122.8° | 118.7° |
| C14 | C15 | C16 | C17 | 40.3° | 0.0° |
| C15 | C14 | O6 | C17 | 8.5° | 40.5° |
| C14 | C15 | O8 | HO8 | 180.0° | 180.0° |
| C15 | C14 | C13 | H13 | 74.5° | 61.9° |
| C15 | C14 | C13 | H13A | 45.4° | 58.2° |
| C14 | C15 | C16 | H16 | 163.4° | 118.8° |
| C15 | C16 | C17 | H16 | 122.1° | 118.7° |
| C15 | C16 | C17 | O6 | 36.6° | 24.0° |
| C15 | C16 | O7 | HO7 | 180.0° | 61.5° |
| C16 | C15 | O8 | HO8 | 62.0° | 65.3° |
| C16 | C15 | C14 | H14 | 86.0° | 94.9° |
| C15 | C16 | C17 | H17 | 154.8° | 95.0° |
| C16 | C17 | O6 | H17 | 116.6° | 118.9° |
| C16 | C17 | N1 | C20 | 71.8° | 84.7° |
| C17 | C16 | O7 | HO7 | 65.1° | 176.1° |
| C17 | C16 | C15 | H15 | 82.5° | 118.7° |
| O6 | C17 | N1 | C20 | 156.4° | 159.9° |
| C17 | O6 | C14 | H14 | 111.7° | 78.4° |
| O6 | C17 | C16 | H16 | 158.7° | 94.7° |
| N2 | C19 | C20 | C22 | 175.1° | 180.0° |
| N2 | C19 | C20 | N1 | 3.6° | 0.2° |
| C19 | N2 | C18 | H18 | 178.3° | 179.9° |
| C19 | C20 | N3 | C21 | 0.5° | 0.0° |
| N1 | C20 | N3 | C21 | 176.7° | 180.0° |
| N1 | C20 | C19 | C22 | 178.7° | 179.8° |
| C20 | N1 | C17 | H17 | 41.1° | 37.6° |
| C20 | N1 | C18 | H18 | 179.7° | 179.7° |
| C19 | C22 | N5 | HN5 | 178.3° | 179.6° |
| C19 | C22 | N5 | HN5A | 61.7° | 0.4° |
| H1 | C1 | H1A | H1B | 120.0° | 120.0° |
| H1 | C1 | C2 | H2 | 60.0° | NaN° |
| H1 | C1 | C2 | H2A | 60.0° | 60.0° |
| H1A | C1 | C2 | H2 | 60.0° | 60.0° |
| H1A | C1 | C2 | H2A | 180.0° | 60.0° |
| H1B | C1 | C2 | H2 | 180.0° | 60.0° |
| H1B | C1 | C2 | H2A | 60.0° | 180.0° |
| H2 | C2 | C3 | H3 | 162.2° | NaN° |
| H2 | C2 | C3 | H3A | 77.8° | 60.0° |
| H2A | C2 | C3 | H3 | 42.3° | 59.9° |
| H2A | C2 | C3 | H3A | 162.3° | 180.0° |
| H3 | C3 | C4 | H4 | 161.7° | 180.0° |
| H3 | C3 | C4 | H4A | 78.2° | 60.0° |
| H3A | C3 | C4 | H4 | 41.8° | 60.0° |
| H3A | C3 | C4 | H4A | 161.8° | 180.0° |
| H4 | C4 | C5 | H5 | 174.9° | NaN° |
| H4 | C4 | C5 | H5A | 54.9° | 60.0° |
| H4A | C4 | C5 | H5 | 65.0° | 60.0° |
| H4A | C4 | C5 | H5A | 175.0° | 180.0° |
| H5 | C5 | C6 | H6 | 173.1° | 180.0° |
| H5 | C5 | C6 | H34 | 66.9° | 60.0° |
| H5A | C5 | C6 | H6 | 53.1° | 60.0° |
| H5A | C5 | C6 | H34 | 173.1° | 180.0° |
| HO7 | O7 | C16 | H16 | 57.9° | 61.2° |
| H8 | C8 | C9 | H9 | 150.9° | 180.0° |
| H8 | C8 | C9 | H9A | 89.1° | 60.0° |
| H8 | C8 | C7 | H7 | 82.7° | 180.0° |
| H8 | C8 | C7 | H36 | 157.3° | 60.0° |
| H8A | C8 | C9 | H9 | 30.9° | 60.0° |
| H8A | C8 | C9 | H9A | 150.9° | 180.0° |
| H8A | C8 | C7 | H7 | 37.3° | 59.9° |
| H8A | C8 | C7 | H36 | 82.7° | 179.9° |
| HO8 | O8 | C15 | H15 | 57.4° | 57.4° |
| H9 | C9 | C10 | H10 | 169.1° | 180.0° |
| H9 | C9 | C10 | H10A | 49.0° | 60.0° |
| H9A | C9 | C10 | H10 | 71.0° | 60.0° |
| H9A | C9 | C10 | H10A | 169.0° | NaN° |
| H10 | C10 | C11 | H11 | 152.4° | 180.0° |
| H10 | C10 | C11 | H11A | 32.4° | 60.0° |
| H10A | C10 | C11 | H11 | 87.6° | 60.0° |
| H10A | C10 | C11 | H11A | 152.4° | 180.0° |
| H13 | C13 | C14 | H14 | 165.9° | 175.8° |
| H13A | C13 | C14 | H14 | 74.1° | 64.2° |
| H14 | C14 | C15 | H15 | 154.5° | 146.3° |
| H15 | C15 | C16 | H16 | 40.6° | 0.1° |
| H16 | C16 | C17 | H17 | 83.0° | 146.3° |
| H6 | C6 | C7 | H7 | 173.9° | 179.9° |
| H6 | C6 | C7 | H36 | 53.9° | 59.9° |
| H34 | C6 | C7 | H7 | 66.1° | 60.0° |
| H34 | C6 | C7 | H36 | 173.9° | 180.0° |
