4YB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C5 | doub | 1.21Å | 1.25Å | |
| C5 | O2 | sing | 1.35Å | 1.25Å | |
| C5 | C6 | sing | 1.48Å | 1.40Å | |
| C7 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C11 | sing | 1.41Å | 1.41Å | Aromatic |
| O3 | C12 | doub | 1.21Å | 1.23Å | |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.47Å | 1.40Å | |
| C11 | C10 | doub | 1.39Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.51Å | 1.55Å | |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.51Å | 1.55Å | |
| C15 | N3 | sing | 1.35Å | 1.33Å | |
| C15 | O4 | doub | 1.21Å | 1.23Å | |
| N3 | S1 | sing | 1.66Å | 1.59Å | |
| O5 | S1 | doub | 1.42Å | 1.52Å | |
| O6 | S1 | doub | 1.42Å | 1.51Å | |
| S1 | O7 | sing | 1.52Å | 1.53Å | |
| O7 | C16 | sing | 1.43Å | 1.40Å | |
| C16 | C17 | sing | 1.53Å | 1.51Å | |
| N5 | C4 | doub | 1.30Å | 1.34Å | Aromatic |
| N5 | C2 | sing | 1.36Å | 1.34Å | Aromatic |
| C4 | N4 | sing | 1.36Å | 1.33Å | Aromatic |
| N6 | C3 | sing | 1.38Å | 1.32Å | |
| C2 | C3 | doub | 1.40Å | 1.34Å | Aromatic |
| C2 | C1 | sing | 1.41Å | 1.33Å | Aromatic |
| O8 | C17 | sing | 1.44Å | 1.43Å | |
| O8 | C20 | sing | 1.44Å | 1.46Å | |
| C17 | C18 | sing | 1.54Å | 1.50Å | |
| N4 | C1 | sing | 1.37Å | 1.32Å | Aromatic |
| N4 | C20 | sing | 1.47Å | 1.46Å | |
| C3 | N1 | sing | 1.33Å | 1.34Å | Aromatic |
| C18 | O9 | sing | 1.43Å | 1.41Å | |
| C18 | C19 | sing | 1.54Å | 1.52Å | |
| C1 | N2 | doub | 1.33Å | 1.34Å | Aromatic |
| C20 | C19 | sing | 1.55Å | 1.51Å | |
| C19 | O10 | sing | 1.43Å | 1.41Å | |
| N1 | C21 | doub | 1.32Å | 1.40Å | Aromatic |
| N2 | C21 | sing | 1.32Å | 1.39Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| O2 | H2 | sing | 0.97Å | 0.95Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| N3 | H11 | sing | 0.97Å | 1.00Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| O9 | H16 | sing | 0.97Å | 0.95Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| O10 | H18 | sing | 0.97Å | 0.95Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.08Å | 1.08Å | |
| N6 | H21 | sing | 0.97Å | 1.00Å | |
| N6 | H22 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C5 | O2 | 119.8° | 120.0° |
| O1 | C5 | C6 | 119.4° | 120.0° |
| O2 | C5 | C6 | 120.7° | 120.0° |
| C5 | O2 | H2 | 109.5° | 117.0° |
| C5 | C6 | C7 | 115.5° | 120.2° |
| C5 | C6 | C11 | 124.9° | 120.2° |
| C6 | C7 | C8 | 120.8° | 120.1° |
| C7 | C6 | C11 | 119.7° | 119.5° |
| C6 | C7 | H3 | 119.6° | 119.9° |
| C7 | C8 | C9 | 120.1° | 120.5° |
| C8 | C7 | H3 | 119.6° | 120.0° |
| C7 | C8 | H4 | 120.0° | 119.8° |
| C6 | C11 | C12 | 121.9° | 120.2° |
| C6 | C11 | C10 | 118.5° | 119.6° |
| O3 | C12 | C11 | 120.8° | 120.0° |
| O3 | C12 | C13 | 120.9° | 120.0° |
| C8 | C9 | C10 | 119.6° | 120.4° |
| C9 | C8 | H4 | 119.9° | 119.8° |
| C8 | C9 | H5 | 120.2° | 119.8° |
| C12 | C11 | C10 | 119.6° | 120.2° |
| C11 | C12 | C13 | 118.2° | 120.0° |
| C11 | C10 | C9 | 121.4° | 119.9° |
| C11 | C10 | H6 | 119.3° | 120.0° |
| C12 | C13 | C14 | 110.5° | 109.4° |
| C12 | C13 | H7 | 109.2° | 109.5° |
| C12 | C13 | H8 | 109.2° | 109.4° |
| C10 | C9 | H5 | 120.2° | 119.8° |
| C9 | C10 | H6 | 119.3° | 120.0° |
| C13 | C14 | C15 | 112.2° | 109.5° |
| C14 | C13 | H7 | 109.2° | 109.5° |
| C14 | C13 | H8 | 109.2° | 109.5° |
| C13 | C14 | H9 | 108.8° | 109.5° |
| C13 | C14 | H10 | 108.8° | 109.5° |
| C14 | C15 | N3 | 113.4° | 120.0° |
| C14 | C15 | O4 | 123.3° | 120.0° |
| C15 | C14 | H9 | 108.8° | 109.4° |
| C15 | C14 | H10 | 108.8° | 109.5° |
| N3 | C15 | O4 | 123.3° | 120.0° |
| C15 | N3 | S1 | 118.9° | 120.0° |
| C15 | N3 | H11 | 120.6° | 120.0° |
| N3 | S1 | O5 | 105.6° | 106.4° |
| N3 | S1 | O6 | 107.9° | 106.4° |
| N3 | S1 | O7 | 114.7° | 107.2° |
| S1 | N3 | H11 | 120.6° | 120.0° |
| O5 | S1 | O6 | 109.2° | 123.2° |
| O5 | S1 | O7 | 109.7° | 106.4° |
| O6 | S1 | O7 | 109.5° | 106.4° |
| S1 | O7 | C16 | 117.0° | 114.0° |
| O7 | C16 | C17 | 104.7° | 109.4° |
| O7 | C16 | H12 | 110.7° | 109.5° |
| O7 | C16 | H13 | 110.7° | 109.5° |
| C16 | C17 | O8 | 107.5° | 110.4° |
| C16 | C17 | C18 | 109.0° | 110.3° |
| C17 | C16 | H12 | 110.6° | 109.5° |
| C17 | C16 | H13 | 110.6° | 109.5° |
| C16 | C17 | H14 | 111.6° | 110.3° |
| C4 | N5 | C2 | 107.9° | 109.5° |
| N5 | C4 | N4 | 107.7° | 110.0° |
| N5 | C4 | H1 | 126.1° | 125.1° |
| N5 | C2 | C3 | 132.5° | 134.7° |
| N5 | C2 | C1 | 107.5° | 107.1° |
| C4 | N4 | C1 | 108.5° | 107.5° |
| C4 | N4 | C20 | 130.7° | 126.3° |
| N4 | C4 | H1 | 126.1° | 125.0° |
| N6 | C3 | C2 | 117.2° | 120.8° |
| N6 | C3 | N1 | 120.2° | 120.8° |
| C3 | N6 | H21 | 109.5° | 120.0° |
| C3 | N6 | H22 | 109.5° | 120.0° |
| C3 | C2 | C1 | 119.9° | 118.2° |
| C2 | C3 | N1 | 122.6° | 118.4° |
| C2 | C1 | N4 | 108.3° | 106.0° |
| C2 | C1 | N2 | 121.0° | 119.1° |
| C17 | O8 | C20 | 106.7° | 105.3° |
| O8 | C17 | C18 | 103.8° | 104.8° |
| O8 | C17 | H14 | 112.7° | 110.5° |
| O8 | C20 | N4 | 108.7° | 110.4° |
| O8 | C20 | C19 | 107.1° | 104.8° |
| O8 | C20 | H19 | 110.4° | 110.4° |
| C17 | C18 | O9 | 108.8° | 110.5° |
| C17 | C18 | C19 | 100.7° | 104.1° |
| C18 | C17 | H14 | 111.8° | 110.3° |
| C17 | C18 | H15 | 111.3° | 110.5° |
| C1 | N4 | C20 | 120.7° | 126.3° |
| N4 | C1 | N2 | 130.7° | 134.9° |
| N4 | C20 | C19 | 110.4° | 110.3° |
| N4 | C20 | H19 | 110.5° | 110.4° |
| C3 | N1 | C21 | 118.2° | 121.2° |
| O9 | C18 | C19 | 112.0° | 110.5° |
| O9 | C18 | H15 | 112.5° | 110.4° |
| C18 | O9 | H16 | 109.5° | 114.0° |
| C18 | C19 | C20 | 100.6° | 104.0° |
| C18 | C19 | O10 | 110.0° | 110.5° |
| C19 | C18 | H15 | 110.9° | 110.6° |
| C18 | C19 | H17 | 111.5° | 110.5° |
| C1 | N2 | C21 | 120.3° | 120.7° |
| C20 | C19 | O10 | 109.1° | 110.5° |
| C20 | C19 | H17 | 111.7° | 110.6° |
| C19 | C20 | H19 | 109.8° | 110.3° |
| O10 | C19 | H17 | 113.2° | 110.5° |
| C19 | O10 | H18 | 109.5° | 114.0° |
| N1 | C21 | N2 | 118.0° | 122.4° |
| N1 | C21 | H20 | 121.0° | 118.8° |
| N2 | C21 | H20 | 121.0° | 118.8° |
| H7 | C13 | H8 | 109.5° | 109.5° |
| H9 | C14 | H10 | 109.5° | 109.5° |
| H12 | C16 | H13 | 109.5° | 109.5° |
| H21 | N6 | H22 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C5 | O2 | C6 | 176.4° | 180.0° |
| O1 | C5 | C6 | C7 | 60.9° | 125.6° |
| O1 | C5 | C6 | C11 | 119.9° | 54.8° |
| O1 | C5 | O2 | H2 | 0.0° | 0.0° |
| O2 | C5 | C6 | C7 | 115.6° | 54.4° |
| O2 | C5 | C6 | C11 | 63.6° | 125.2° |
| C5 | C6 | C7 | C11 | 179.2° | 179.6° |
| C5 | C6 | C7 | C8 | 179.7° | 180.0° |
| C5 | C6 | C11 | C12 | 1.3° | 0.0° |
| C5 | C6 | C11 | C10 | 179.6° | 179.7° |
| C6 | C5 | O2 | H2 | 176.4° | 180.0° |
| C5 | C6 | C7 | H3 | 0.4° | 0.1° |
| C6 | C7 | C8 | H3 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 0.4° | 0.0° |
| C7 | C6 | C11 | C12 | 179.6° | 179.7° |
| C7 | C6 | C11 | C10 | 1.3° | 0.7° |
| C6 | C7 | C8 | H4 | 179.6° | 180.0° |
| C8 | C7 | C6 | C11 | 1.1° | 0.4° |
| C7 | C8 | C9 | H4 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.1° | 0.1° |
| C7 | C8 | C9 | H5 | 179.9° | 180.0° |
| C6 | C11 | C12 | O3 | 35.9° | 6.2° |
| C6 | C11 | C12 | C10 | 178.3° | 179.7° |
| C6 | C11 | C12 | C13 | 147.3° | 173.7° |
| C6 | C11 | C10 | C9 | 0.8° | 0.6° |
| C11 | C6 | C7 | H3 | 178.9° | 179.7° |
| C6 | C11 | C10 | H6 | 179.2° | 179.7° |
| O3 | C12 | C11 | C13 | 176.7° | 179.9° |
| O3 | C12 | C11 | C10 | 142.4° | 174.1° |
| O3 | C12 | C13 | C14 | 5.2° | 0.1° |
| O3 | C12 | C13 | H7 | 125.4° | 120.0° |
| O3 | C12 | C13 | H8 | 115.0° | 120.0° |
| C8 | C9 | C10 | C11 | 0.1° | 0.2° |
| C8 | C9 | C10 | H5 | 180.0° | 179.9° |
| C9 | C8 | C7 | H3 | 179.6° | 180.0° |
| C8 | C9 | C10 | H6 | 179.9° | 180.0° |
| C12 | C11 | C10 | C9 | 179.1° | 179.7° |
| C11 | C12 | C13 | C14 | 171.6° | 180.0° |
| C12 | C11 | C10 | H6 | 0.9° | 0.0° |
| C11 | C12 | C13 | H7 | 51.4° | 59.9° |
| C11 | C12 | C13 | H8 | 68.3° | 60.1° |
| C10 | C11 | C12 | C13 | 34.4° | 6.0° |
| C11 | C10 | C9 | H6 | 180.0° | 179.8° |
| C11 | C10 | C9 | H5 | 179.9° | 179.7° |
| C12 | C13 | C14 | H7 | 120.2° | 120.1° |
| C12 | C13 | C14 | H8 | 120.2° | 119.9° |
| C12 | C13 | C14 | C15 | 167.2° | 179.9° |
| C12 | C13 | H7 | H8 | 119.5° | 120.0° |
| C12 | C13 | C14 | H9 | 72.4° | 60.0° |
| C12 | C13 | C14 | H10 | 46.8° | 60.1° |
| C10 | C9 | C8 | H4 | 179.9° | 180.0° |
| C13 | C14 | C15 | H9 | 120.4° | 120.0° |
| C13 | C14 | C15 | H10 | 120.4° | 120.0° |
| C13 | C14 | C15 | N3 | 178.1° | 180.0° |
| C13 | C14 | C15 | O4 | 0.2° | 0.0° |
| C14 | C13 | H7 | H8 | 119.5° | 120.0° |
| C13 | C14 | H9 | H10 | 118.8° | 120.0° |
| C14 | C15 | N3 | O4 | 177.9° | 180.0° |
| C14 | C15 | N3 | S1 | 175.9° | 180.0° |
| C15 | C14 | C13 | H7 | 47.0° | 60.0° |
| C15 | C14 | C13 | H8 | 72.7° | 60.0° |
| C15 | C14 | H9 | H10 | 118.8° | 120.0° |
| C14 | C15 | N3 | H11 | 4.1° | 0.1° |
| C15 | N3 | S1 | H11 | 180.0° | 179.9° |
| C15 | N3 | S1 | O5 | 66.7° | 178.5° |
| C15 | N3 | S1 | O6 | 176.7° | 48.6° |
| C15 | N3 | S1 | O7 | 54.3° | 65.0° |
| N3 | C15 | C14 | H9 | 57.7° | 60.0° |
| N3 | C15 | C14 | H10 | 61.5° | 59.9° |
| O4 | C15 | N3 | S1 | 6.3° | 0.0° |
| O4 | C15 | C14 | H9 | 120.2° | 120.0° |
| O4 | C15 | C14 | H10 | 120.6° | 120.1° |
| O4 | C15 | N3 | H11 | 173.8° | 179.9° |
| N3 | S1 | O5 | O6 | 115.8° | 122.9° |
| N3 | S1 | O5 | O7 | 124.1° | 114.1° |
| N3 | S1 | O6 | O7 | 125.5° | 114.1° |
| N3 | S1 | O7 | C16 | 48.1° | 75.0° |
| O5 | S1 | O6 | O7 | 120.1° | 123.0° |
| O5 | S1 | O7 | C16 | 166.7° | 38.5° |
| O5 | S1 | N3 | H11 | 113.3° | 1.4° |
| O6 | S1 | O7 | C16 | 73.5° | 171.5° |
| O6 | S1 | N3 | H11 | 3.4° | 131.5° |
| S1 | O7 | C16 | C17 | 179.9° | 180.0° |
| O7 | S1 | N3 | H11 | 125.8° | 115.0° |
| S1 | O7 | C16 | H12 | 60.8° | 60.0° |
| S1 | O7 | C16 | H13 | 60.7° | 60.0° |
| O7 | C16 | C17 | H12 | 119.3° | 120.0° |
| O7 | C16 | C17 | H13 | 119.3° | 120.0° |
| O7 | C16 | C17 | O8 | 73.1° | 69.6° |
| O7 | C16 | C17 | C18 | 175.0° | 175.0° |
| O7 | C16 | H12 | H13 | 122.2° | 120.0° |
| O7 | C16 | C17 | H14 | 51.0° | 52.8° |
| C16 | C17 | O8 | C18 | 115.4° | 118.8° |
| C16 | C17 | O8 | H14 | 123.4° | 122.3° |
| C16 | C17 | O8 | C20 | 144.5° | 159.3° |
| C16 | C17 | C18 | H14 | 123.8° | 122.1° |
| C16 | C17 | C18 | O9 | 83.1° | 98.5° |
| C16 | C17 | C18 | C19 | 159.0° | 142.8° |
| C17 | C16 | H12 | H13 | 122.2° | 120.0° |
| C16 | C17 | C18 | H15 | 41.5° | 24.0° |
| N5 | C4 | N4 | H1 | 180.0° | 179.7° |
| C4 | N5 | C2 | C3 | 179.2° | 179.9° |
| C4 | N5 | C2 | C1 | 0.1° | 0.1° |
| N5 | C4 | N4 | C1 | 0.3° | 0.3° |
| N5 | C4 | N4 | C20 | 179.2° | 180.0° |
| C2 | N5 | C4 | N4 | 0.3° | 0.1° |
| N5 | C2 | C3 | N6 | 1.0° | 0.1° |
| N5 | C2 | C3 | C1 | 179.0° | 179.9° |
| N5 | C2 | C1 | N4 | 0.1° | 0.3° |
| N5 | C2 | C3 | N1 | 179.5° | 180.0° |
| N5 | C2 | C1 | N2 | 179.6° | 180.0° |
| C2 | N5 | C4 | H1 | 179.8° | 179.8° |
| C4 | N4 | C1 | C2 | 0.2° | 0.3° |
| C4 | N4 | C20 | O8 | 18.1° | 23.5° |
| C4 | N4 | C1 | C20 | 179.1° | 179.7° |
| C4 | N4 | C1 | N2 | 179.7° | 180.0° |
| C4 | N4 | C20 | C19 | 99.0° | 91.9° |
| C4 | N4 | C20 | H19 | 139.4° | 145.9° |
| N6 | C3 | C2 | N1 | 179.4° | 180.0° |
| N6 | C3 | C2 | C1 | 179.9° | 180.0° |
| N6 | C3 | N1 | C21 | 179.6° | 180.0° |
| C3 | N6 | H21 | H22 | 120.0° | 180.0° |
| C3 | C2 | C1 | N4 | 179.2° | 179.7° |
| C3 | C2 | C1 | N2 | 0.3° | 0.0° |
| C2 | C3 | N1 | C21 | 0.3° | 0.0° |
| C2 | C3 | N6 | H21 | 179.4° | 0.1° |
| C2 | C3 | N6 | H22 | 59.4° | 180.0° |
| C2 | C1 | N4 | N2 | 179.5° | 179.6° |
| C2 | C1 | N4 | C20 | 179.3° | 179.9° |
| C1 | C2 | C3 | N1 | 0.5° | 0.0° |
| C2 | C1 | N2 | C21 | 0.1° | 0.0° |
| O8 | C17 | C18 | H14 | 121.8° | 119.0° |
| C17 | O8 | C20 | N4 | 121.0° | 159.4° |
| O8 | C17 | C18 | O9 | 162.5° | 142.7° |
| O8 | C17 | C18 | C19 | 44.7° | 24.0° |
| C17 | O8 | C20 | C19 | 1.8° | 40.6° |
| O8 | C17 | C16 | H12 | 46.1° | 50.3° |
| O8 | C17 | C16 | H13 | 167.6° | 170.3° |
| O8 | C17 | C18 | H15 | 72.9° | 94.8° |
| C17 | O8 | C20 | H19 | 117.7° | 78.3° |
| C20 | O8 | C17 | C18 | 29.1° | 40.5° |
| O8 | C20 | N4 | C1 | 160.7° | 156.8° |
| O8 | C20 | N4 | C19 | 117.1° | 115.4° |
| O8 | C20 | N4 | H19 | 121.3° | 122.4° |
| O8 | C20 | C19 | C18 | 25.4° | 24.0° |
| O8 | C20 | C19 | H19 | 119.9° | 118.9° |
| O8 | C20 | C19 | O10 | 90.3° | 142.6° |
| C20 | O8 | C17 | H14 | 92.1° | 78.3° |
| O8 | C20 | C19 | H17 | 143.9° | 94.7° |
| C17 | C18 | O9 | C19 | 110.4° | 114.7° |
| C17 | C18 | O9 | H15 | 123.8° | 122.6° |
| C17 | C18 | C19 | H15 | 117.9° | 118.7° |
| C17 | C18 | C19 | C20 | 41.9° | 0.0° |
| C17 | C18 | C19 | O10 | 73.1° | 118.6° |
| C18 | C17 | C16 | H12 | 65.8° | 65.0° |
| C18 | C17 | C16 | H13 | 55.7° | 55.0° |
| C17 | C18 | O9 | H16 | 180.0° | 180.0° |
| C17 | C18 | C19 | H17 | 160.5° | 118.8° |
| C1 | N4 | C20 | C19 | 82.2° | 87.8° |
| N4 | C1 | N2 | C21 | 179.5° | 179.6° |
| C1 | N4 | C4 | H1 | 179.7° | 180.0° |
| C1 | N4 | C20 | H19 | 39.4° | 34.5° |
| N4 | C20 | C19 | C18 | 92.7° | 142.8° |
| C20 | N4 | C1 | N2 | 1.3° | 0.3° |
| N4 | C20 | C19 | H19 | 122.0° | 122.3° |
| N4 | C20 | C19 | O10 | 151.7° | 98.6° |
| C20 | N4 | C4 | H1 | 0.8° | 0.3° |
| N4 | C20 | C19 | H17 | 25.8° | 24.2° |
| C3 | N1 | C21 | N2 | 0.2° | 0.0° |
| C3 | N1 | C21 | H20 | 179.8° | 180.0° |
| N1 | C3 | N6 | H21 | 0.0° | 180.0° |
| N1 | C3 | N6 | H22 | 120.0° | 0.0° |
| O9 | C18 | C19 | H15 | 126.6° | 122.6° |
| O9 | C18 | C19 | C20 | 157.4° | 118.7° |
| O9 | C18 | C19 | O10 | 42.4° | 0.0° |
| O9 | C18 | C17 | H14 | 40.7° | 23.6° |
| O9 | C18 | C19 | H17 | 84.0° | 122.6° |
| C18 | C19 | C20 | O10 | 115.6° | 118.6° |
| C18 | C19 | C20 | H17 | 118.5° | 118.7° |
| C18 | C19 | O10 | H17 | 125.5° | 122.6° |
| C19 | C18 | C17 | H14 | 77.1° | 95.0° |
| C19 | C18 | O9 | H16 | 69.5° | 65.3° |
| C18 | C19 | O10 | H18 | 180.0° | 61.5° |
| C18 | C19 | C20 | H19 | 145.3° | 94.9° |
| C1 | N2 | C21 | N1 | 0.4° | 0.0° |
| C1 | N2 | C21 | H20 | 179.6° | 180.0° |
| C20 | C19 | O10 | H17 | 125.0° | 122.8° |
| C20 | C19 | C18 | H15 | 75.9° | 118.7° |
| C20 | C19 | O10 | H18 | 70.5° | 176.1° |
| O10 | C19 | C18 | H15 | 169.1° | 122.6° |
| O10 | C19 | C20 | H19 | 29.7° | 23.7° |
| N1 | C21 | N2 | H20 | 180.0° | 180.0° |
| H3 | C7 | C8 | H4 | 0.5° | 0.0° |
| H4 | C8 | C9 | H5 | 0.1° | 0.1° |
| H5 | C9 | C10 | H6 | 0.1° | 0.1° |
| H7 | C13 | C14 | H9 | 167.4° | 180.0° |
| H7 | C13 | C14 | H10 | 73.4° | 60.0° |
| H8 | C13 | C14 | H9 | 47.7° | 59.9° |
| H8 | C13 | C14 | H10 | 166.9° | 179.9° |
| H12 | C16 | C17 | H14 | 170.2° | 172.8° |
| H13 | C16 | C17 | H14 | 68.3° | 67.2° |
| H14 | C17 | C18 | H15 | 165.3° | 146.2° |
| H15 | C18 | O9 | H16 | 56.2° | 57.4° |
| H15 | C18 | C19 | H17 | 42.7° | 0.0° |
| H17 | C19 | O10 | H18 | 54.5° | 61.1° |
| H17 | C19 | C20 | H19 | 96.2° | 146.4° |
