0X0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S | O4 | doub | 1.42Å | 1.43Å | |
| O3 | S | doub | 1.42Å | 1.43Å | |
| N | S | sing | 1.66Å | 1.65Å | |
| S | C17 | sing | 1.76Å | 1.76Å | |
| C23 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| H23 | C23 | sing | 1.08Å | 1.08Å | |
| C23 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| H22 | C22 | sing | 1.08Å | 1.08Å | |
| C22 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.51Å | 1.51Å | |
| C20 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| H21 | C21 | sing | 1.09Å | 1.10Å | |
| H21A | C21 | sing | 1.09Å | 1.10Å | |
| C21 | H21B | sing | 1.09Å | 1.10Å | |
| C18 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C4 | N | sing | 1.40Å | 1.44Å | |
| N | C8 | sing | 1.47Å | 1.47Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| O2 | C9 | doub | 1.21Å | 1.23Å | |
| C9 | N1 | sing | 1.35Å | 1.34Å | |
| N1 | C10 | sing | 1.46Å | 1.46Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| H10 | C10 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C10 | C14 | sing | 1.53Å | 1.54Å | |
| C16 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| H16 | C16 | sing | 1.09Å | 1.10Å | |
| H16B | C16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| H15B | C15 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C13 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| H13 | C13 | sing | 1.09Å | 1.10Å | |
| H13A | C13 | sing | 1.09Å | 1.10Å | |
| C13 | H13B | sing | 1.09Å | 1.10Å | |
| C12 | H12B | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C5 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| H2 | C2 | sing | 1.08Å | 1.08Å | |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| O1 | C6 | sing | 1.36Å | 1.37Å | |
| C1 | C6 | doub | 1.39Å | 1.41Å | Aromatic |
| O1 | C7 | sing | 1.43Å | 1.43Å | |
| H7 | C7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C7 | H7B | sing | 1.09Å | 1.10Å | |
| O | C1 | sing | 1.36Å | 1.37Å | |
| C | O | sing | 1.43Å | 1.43Å | |
| HA | C | sing | 1.09Å | 1.10Å | |
| H | C | sing | 1.09Å | 1.10Å | |
| C | HB | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | S | O3 | 119.8° | 123.2° |
| O4 | S | N | 106.7° | 106.4° |
| O4 | S | C17 | 108.2° | 106.4° |
| O3 | S | N | 106.6° | 106.4° |
| O3 | S | C17 | 108.0° | 106.4° |
| N | S | C17 | 106.9° | 107.2° |
| S | N | C4 | 119.1° | 120.0° |
| S | N | C8 | 119.0° | 120.0° |
| S | C17 | C23 | 119.8° | 120.0° |
| S | C17 | C18 | 119.9° | 120.0° |
| C23 | C17 | C18 | 120.4° | 120.0° |
| C17 | C23 | H23 | 120.3° | 120.0° |
| C17 | C23 | C22 | 119.3° | 120.0° |
| C17 | C18 | C19 | 119.3° | 120.0° |
| C17 | C18 | H18 | 120.3° | 120.0° |
| H23 | C23 | C22 | 120.4° | 120.0° |
| C23 | C22 | H22 | 119.3° | 120.0° |
| C23 | C22 | C20 | 121.5° | 120.0° |
| H22 | C22 | C20 | 119.3° | 120.0° |
| C22 | C20 | C21 | 121.0° | 120.0° |
| C22 | C20 | C19 | 118.0° | 120.0° |
| C21 | C20 | C19 | 121.0° | 120.0° |
| C20 | C21 | H21 | 109.5° | 109.5° |
| C20 | C21 | H21A | 109.5° | 109.4° |
| C20 | C21 | H21B | 109.4° | 109.5° |
| C20 | C19 | C18 | 121.5° | 120.0° |
| C20 | C19 | H19 | 119.3° | 120.0° |
| H21 | C21 | H21A | 109.5° | 109.5° |
| H21 | C21 | H21B | 109.5° | 109.5° |
| H21A | C21 | H21B | 109.5° | 109.5° |
| C18 | C19 | H19 | 119.3° | 120.0° |
| C19 | C18 | H18 | 120.3° | 120.0° |
| C4 | N | C8 | 116.5° | 120.1° |
| N | C4 | C5 | 119.0° | 120.0° |
| N | C4 | C3 | 120.9° | 120.0° |
| N | C8 | C9 | 109.3° | 109.5° |
| N | C8 | H8 | 109.5° | 109.4° |
| N | C8 | H8A | 109.6° | 109.5° |
| C9 | C8 | H8 | 109.5° | 109.5° |
| C9 | C8 | H8A | 109.5° | 109.5° |
| C8 | C9 | O2 | 120.8° | 120.0° |
| C8 | C9 | N1 | 116.2° | 120.0° |
| H8 | C8 | H8A | 109.5° | 109.5° |
| O2 | C9 | N1 | 123.0° | 120.0° |
| C9 | N1 | C10 | 123.1° | 120.0° |
| C9 | N1 | HN1 | 118.4° | 120.0° |
| C10 | N1 | HN1 | 118.4° | 119.9° |
| N1 | C10 | H10 | 107.0° | 109.4° |
| N1 | C10 | C11 | 112.6° | 109.5° |
| N1 | C10 | C14 | 112.0° | 109.5° |
| H10 | C10 | C11 | 106.1° | 109.4° |
| H10 | C10 | C14 | 106.0° | 109.5° |
| C11 | C10 | C14 | 112.5° | 109.5° |
| C10 | C11 | C13 | 111.8° | 109.5° |
| C10 | C11 | H11 | 107.0° | 109.5° |
| C10 | C11 | C12 | 112.9° | 109.5° |
| C10 | C14 | C16 | 112.0° | 109.4° |
| C10 | C14 | H14 | 107.1° | 109.5° |
| C10 | C14 | C15 | 112.5° | 109.5° |
| C16 | C14 | H14 | 107.3° | 109.4° |
| C16 | C14 | C15 | 110.3° | 109.5° |
| C14 | C16 | H16 | 109.5° | 109.5° |
| C14 | C16 | H16B | 109.5° | 109.4° |
| C14 | C16 | H16A | 109.5° | 109.4° |
| H14 | C14 | C15 | 107.3° | 109.5° |
| C14 | C15 | H15B | 109.5° | 109.4° |
| C14 | C15 | H15 | 109.5° | 109.5° |
| C14 | C15 | H15A | 109.4° | 109.4° |
| H16 | C16 | H16B | 109.5° | 109.5° |
| H16 | C16 | H16A | 109.5° | 109.5° |
| H16B | C16 | H16A | 109.5° | 109.4° |
| H15B | C15 | H15 | 109.5° | 109.5° |
| H15B | C15 | H15A | 109.5° | 109.5° |
| H15 | C15 | H15A | 109.5° | 109.5° |
| C13 | C11 | H11 | 107.2° | 109.4° |
| C13 | C11 | C12 | 110.4° | 109.5° |
| C11 | C13 | H13 | 109.5° | 109.5° |
| C11 | C13 | H13A | 109.5° | 109.5° |
| C11 | C13 | H13B | 109.5° | 109.4° |
| H11 | C11 | C12 | 107.2° | 109.5° |
| C11 | C12 | H12B | 109.5° | 109.5° |
| C11 | C12 | H12A | 109.5° | 109.5° |
| C11 | C12 | H12 | 109.5° | 109.4° |
| H13 | C13 | H13A | 109.5° | 109.5° |
| H13 | C13 | H13B | 109.5° | 109.4° |
| H13A | C13 | H13B | 109.5° | 109.5° |
| H12B | C12 | H12A | 109.4° | 109.5° |
| H12B | C12 | H12 | 109.5° | 109.5° |
| H12A | C12 | H12 | 109.5° | 109.5° |
| C5 | C4 | C3 | 120.0° | 119.9° |
| C4 | C5 | C6 | 120.0° | 120.0° |
| C4 | C5 | H5 | 120.0° | 120.0° |
| C4 | C3 | C2 | 120.4° | 120.1° |
| C4 | C3 | H3 | 119.8° | 119.9° |
| C2 | C3 | H3 | 119.8° | 120.0° |
| C3 | C2 | C1 | 120.0° | 120.1° |
| C3 | C2 | H2 | 120.0° | 119.9° |
| C1 | C2 | H2 | 120.0° | 119.9° |
| C2 | C1 | C6 | 119.8° | 120.0° |
| C2 | C1 | O | 124.9° | 120.0° |
| C6 | C5 | H5 | 120.0° | 120.0° |
| C5 | C6 | O1 | 124.9° | 120.0° |
| C5 | C6 | C1 | 119.8° | 119.9° |
| O1 | C6 | C1 | 115.3° | 120.0° |
| C6 | O1 | C7 | 117.9° | 117.0° |
| C6 | C1 | O | 115.3° | 120.0° |
| O1 | C7 | H7 | 109.5° | 109.4° |
| O1 | C7 | H7A | 109.5° | 109.4° |
| O1 | C7 | H7B | 109.5° | 109.5° |
| H7 | C7 | H7A | 109.4° | 109.5° |
| H7 | C7 | H7B | 109.5° | 109.5° |
| H7A | C7 | H7B | 109.5° | 109.5° |
| C1 | O | C | 117.9° | 117.0° |
| O | C | HA | 109.5° | 109.5° |
| O | C | H | 109.5° | 109.5° |
| O | C | HB | 109.5° | 109.5° |
| HA | C | H | 109.5° | 109.5° |
| HA | C | HB | 109.5° | 109.4° |
| H | C | HB | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | S | O3 | N | 121.0° | 123.0° |
| O4 | S | O3 | C17 | 124.4° | 123.0° |
| O4 | S | N | C17 | 115.6° | 113.5° |
| O4 | S | C17 | C23 | 159.9° | 23.7° |
| O4 | S | C17 | C18 | 19.5° | 156.5° |
| O4 | S | N | C4 | 117.5° | 29.6° |
| O4 | S | N | C8 | 35.7° | 150.4° |
| O3 | S | N | C17 | 115.3° | 113.6° |
| O3 | S | C17 | C23 | 28.8° | 156.7° |
| O3 | S | C17 | C18 | 150.6° | 23.5° |
| O3 | S | N | C4 | 11.6° | 162.5° |
| O3 | S | N | C8 | 164.8° | 17.5° |
| N | S | C17 | C23 | 85.6° | 89.7° |
| N | S | C17 | C18 | 95.0° | 90.0° |
| S | N | C4 | C8 | 153.8° | 180.0° |
| S | N | C8 | C9 | 131.3° | 95.0° |
| S | N | C8 | H8 | 11.3° | 145.0° |
| S | N | C8 | H8A | 108.7° | 25.0° |
| S | N | C4 | C5 | 93.6° | 113.5° |
| S | N | C4 | C3 | 85.4° | 66.3° |
| S | C17 | C23 | C18 | 179.4° | 179.8° |
| S | C17 | C23 | H23 | 0.9° | 0.0° |
| S | C17 | C23 | C22 | 179.2° | 180.0° |
| S | C17 | C18 | C19 | 179.1° | 179.8° |
| S | C17 | C18 | H18 | 1.0° | 0.0° |
| C17 | S | N | C4 | 126.9° | 83.9° |
| C17 | S | N | C8 | 79.9° | 96.1° |
| C17 | C23 | H23 | C22 | 180.0° | 180.0° |
| C17 | C23 | C22 | H22 | 180.0° | 180.0° |
| C17 | C23 | C22 | C20 | 0.0° | 0.1° |
| C23 | C17 | C18 | C19 | 0.3° | 0.4° |
| C23 | C17 | C18 | H18 | 179.6° | 179.8° |
| C18 | C17 | C23 | H23 | 179.7° | 179.7° |
| C18 | C17 | C23 | C22 | 0.3° | 0.2° |
| C17 | C18 | C19 | C20 | 0.1° | 0.3° |
| C17 | C18 | C19 | H18 | 180.0° | 179.8° |
| C17 | C18 | C19 | H19 | 179.9° | 179.7° |
| H23 | C23 | C22 | H22 | 0.0° | 0.0° |
| H23 | C23 | C22 | C20 | 180.0° | 180.0° |
| C23 | C22 | H22 | C20 | 180.0° | 179.9° |
| C23 | C22 | C20 | C21 | 179.6° | 180.0° |
| C23 | C22 | C20 | C19 | 0.3° | 0.1° |
| H22 | C22 | C20 | C21 | 0.4° | 0.0° |
| H22 | C22 | C20 | C19 | 179.7° | 179.9° |
| C22 | C20 | C21 | C19 | 179.8° | 179.9° |
| C22 | C20 | C21 | H21 | 89.9° | 150.0° |
| C22 | C20 | C21 | H21A | 150.1° | 30.0° |
| C22 | C20 | C21 | H21B | 30.1° | 89.9° |
| C22 | C20 | C19 | C18 | 0.2° | 0.1° |
| C22 | C20 | C19 | H19 | 179.8° | 180.0° |
| C20 | C21 | H21 | H21A | 120.0° | 119.9° |
| C20 | C21 | H21 | H21B | 120.0° | 120.0° |
| C20 | C21 | H21A | H21B | 120.0° | 120.0° |
| C21 | C20 | C19 | C18 | 179.7° | 179.8° |
| C21 | C20 | C19 | H19 | 0.3° | 0.1° |
| C19 | C20 | C21 | H21 | 89.9° | 30.1° |
| C19 | C20 | C21 | H21A | 30.1° | 150.1° |
| C19 | C20 | C21 | H21B | 150.1° | 90.0° |
| C20 | C19 | C18 | H19 | 180.0° | 179.9° |
| C20 | C19 | C18 | H18 | 179.9° | 179.8° |
| H21 | C21 | H21A | H21B | 120.0° | 120.0° |
| H19 | C19 | C18 | H18 | 0.2° | 0.1° |
| C4 | N | C8 | C9 | 74.8° | 85.0° |
| C4 | N | C8 | H8 | 165.2° | 35.0° |
| C4 | N | C8 | H8A | 45.2° | 155.0° |
| N | C4 | C5 | C3 | 179.0° | 179.8° |
| N | C4 | C3 | C2 | 178.8° | 180.0° |
| N | C4 | C3 | H3 | 1.2° | 0.0° |
| N | C4 | C5 | C6 | 178.7° | 180.0° |
| N | C4 | C5 | H5 | 1.3° | 0.1° |
| N | C8 | C9 | H8 | 120.0° | 120.0° |
| N | C8 | C9 | H8A | 120.0° | 120.0° |
| N | C8 | H8 | H8A | 120.1° | 120.0° |
| N | C8 | C9 | O2 | 80.3° | 0.0° |
| N | C8 | C9 | N1 | 100.2° | 180.0° |
| C8 | N | C4 | C5 | 112.6° | 66.5° |
| C8 | N | C4 | C3 | 68.4° | 113.7° |
| C9 | C8 | H8 | H8A | 120.1° | 120.0° |
| C8 | C9 | O2 | N1 | 179.4° | 180.0° |
| C8 | C9 | N1 | C10 | 176.4° | 180.0° |
| C8 | C9 | N1 | HN1 | 3.6° | 0.1° |
| H8 | C8 | C9 | O2 | 159.7° | 120.0° |
| H8 | C8 | C9 | N1 | 19.7° | 60.0° |
| H8A | C8 | C9 | O2 | 39.6° | 120.0° |
| H8A | C8 | C9 | N1 | 139.8° | 60.0° |
| O2 | C9 | N1 | C10 | 3.0° | 0.0° |
| O2 | C9 | N1 | HN1 | 177.0° | 179.9° |
| C9 | N1 | C10 | HN1 | 180.0° | 179.9° |
| C9 | N1 | C10 | H10 | 27.1° | 34.9° |
| C9 | N1 | C10 | C11 | 143.3° | 85.0° |
| C9 | N1 | C10 | C14 | 88.7° | 155.0° |
| N1 | C10 | H10 | C11 | 120.4° | 119.9° |
| N1 | C10 | H10 | C14 | 119.7° | 120.0° |
| N1 | C10 | C11 | C14 | 127.8° | 120.0° |
| N1 | C10 | C14 | C16 | 93.8° | 177.3° |
| N1 | C10 | C14 | H14 | 148.8° | 62.7° |
| N1 | C10 | C14 | C15 | 31.2° | 57.3° |
| N1 | C10 | C11 | C13 | 56.0° | 59.2° |
| N1 | C10 | C11 | H11 | 173.1° | 179.1° |
| N1 | C10 | C11 | C12 | 69.2° | 60.8° |
| HN1 | N1 | C10 | H10 | 152.9° | 145.0° |
| HN1 | N1 | C10 | C11 | 36.7° | 95.1° |
| HN1 | N1 | C10 | C14 | 91.3° | 25.0° |
| H10 | C10 | C11 | C14 | 115.5° | 120.0° |
| H10 | C10 | C14 | C16 | 22.6° | 57.3° |
| H10 | C10 | C14 | H14 | 94.8° | 177.3° |
| H10 | C10 | C14 | C15 | 147.6° | 62.7° |
| H10 | C10 | C11 | C13 | 60.7° | 179.1° |
| H10 | C10 | C11 | H11 | 56.4° | 61.0° |
| H10 | C10 | C11 | C12 | 174.1° | 59.1° |
| C11 | C10 | C14 | C16 | 138.1° | 62.7° |
| C11 | C10 | C14 | H14 | 20.7° | 57.3° |
| C11 | C10 | C14 | C15 | 96.9° | 177.3° |
| C10 | C11 | C13 | H11 | 117.0° | 120.0° |
| C10 | C11 | C13 | C12 | 126.5° | 120.0° |
| C10 | C11 | H11 | C12 | 121.4° | 120.1° |
| C10 | C11 | C13 | H13 | 180.0° | 180.0° |
| C10 | C11 | C13 | H13A | 60.0° | 59.9° |
| C10 | C11 | C13 | H13B | 60.0° | 60.0° |
| C10 | C11 | C12 | H12B | 180.0° | 54.0° |
| C10 | C11 | C12 | H12A | 60.0° | 66.0° |
| C10 | C11 | C12 | H12 | 60.0° | 174.0° |
| C10 | C14 | C16 | H14 | 117.3° | 120.0° |
| C10 | C14 | C16 | C15 | 126.2° | 120.0° |
| C10 | C14 | H14 | C15 | 121.0° | 120.0° |
| C10 | C14 | C16 | H16 | 180.0° | 60.0° |
| C10 | C14 | C16 | H16B | 60.0° | 179.9° |
| C10 | C14 | C16 | H16A | 60.0° | 60.1° |
| C10 | C14 | C15 | H15B | 180.0° | 54.9° |
| C10 | C14 | C15 | H15 | 60.0° | 65.1° |
| C10 | C14 | C15 | H15A | 60.0° | 174.9° |
| C14 | C10 | C11 | C13 | 176.3° | 60.9° |
| C14 | C10 | C11 | H11 | 59.1° | 59.0° |
| C14 | C10 | C11 | C12 | 58.6° | 179.1° |
| C16 | C14 | H14 | C15 | 118.5° | 120.0° |
| C14 | C16 | H16 | H16B | 120.0° | 120.0° |
| C14 | C16 | H16 | H16A | 120.0° | 120.0° |
| C14 | C16 | H16B | H16A | 120.0° | 119.9° |
| C16 | C14 | C15 | H15B | 54.1° | 65.1° |
| C16 | C14 | C15 | H15 | 174.1° | 174.9° |
| C16 | C14 | C15 | H15A | 65.9° | 54.9° |
| H14 | C14 | C16 | H16 | 62.7° | 60.0° |
| H14 | C14 | C16 | H16B | 177.3° | 60.1° |
| H14 | C14 | C16 | H16A | 57.3° | 179.9° |
| H14 | C14 | C15 | H15B | 62.4° | 174.9° |
| H14 | C14 | C15 | H15 | 57.5° | 54.9° |
| H14 | C14 | C15 | H15A | 177.6° | 65.1° |
| C15 | C14 | C16 | H16 | 53.8° | 180.0° |
| C15 | C14 | C16 | H16B | 66.2° | 59.9° |
| C15 | C14 | C16 | H16A | 173.8° | 59.9° |
| C14 | C15 | H15B | H15 | 120.0° | 120.0° |
| C14 | C15 | H15B | H15A | 120.0° | 119.9° |
| C14 | C15 | H15 | H15A | 120.0° | 120.0° |
| H16 | C16 | H16B | H16A | 120.0° | 120.0° |
| H15B | C15 | H15 | H15A | 120.0° | 120.1° |
| C13 | C11 | H11 | C12 | 118.5° | 120.0° |
| C11 | C13 | H13 | H13A | 120.0° | 120.1° |
| C11 | C13 | H13 | H13B | 120.0° | 119.9° |
| C11 | C13 | H13A | H13B | 120.0° | 119.9° |
| C13 | C11 | C12 | H12B | 54.1° | 174.0° |
| C13 | C11 | C12 | H12A | 65.9° | 54.0° |
| C13 | C11 | C12 | H12 | 174.1° | 66.0° |
| H11 | C11 | C13 | H13 | 63.0° | 60.1° |
| H11 | C11 | C13 | H13A | 57.0° | 60.0° |
| H11 | C11 | C13 | H13B | 177.0° | 180.0° |
| H11 | C11 | C12 | H12B | 62.4° | 66.1° |
| H11 | C11 | C12 | H12A | 177.7° | 173.9° |
| H11 | C11 | C12 | H12 | 57.6° | 53.9° |
| C12 | C11 | C13 | H13 | 53.5° | 59.9° |
| C12 | C11 | C13 | H13A | 173.5° | 180.0° |
| C12 | C11 | C13 | H13B | 66.5° | 60.0° |
| C11 | C12 | H12B | H12A | 120.0° | 120.0° |
| C11 | C12 | H12B | H12 | 120.0° | 120.0° |
| C11 | C12 | H12A | H12 | 120.0° | 120.0° |
| H13 | C13 | H13A | H13B | 120.0° | 120.0° |
| H12B | C12 | H12A | H12 | 120.0° | 120.0° |
| C5 | C4 | C3 | C2 | 0.2° | 0.2° |
| C5 | C4 | C3 | H3 | 179.8° | 179.8° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | O1 | 179.7° | 180.0° |
| C4 | C5 | C6 | C1 | 0.1° | 0.0° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.0° | 0.0° |
| C4 | C3 | C2 | H2 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.2° | 0.2° |
| C3 | C4 | C5 | H5 | 179.8° | 179.7° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 0.1° | 0.3° |
| C3 | C2 | C1 | O | 179.7° | 179.9° |
| H3 | C3 | C2 | C1 | 180.0° | 180.0° |
| H3 | C3 | C2 | H2 | 0.0° | 0.0° |
| C2 | C1 | C6 | C5 | 0.1° | 0.3° |
| C2 | C1 | C6 | O1 | 179.9° | 179.7° |
| C2 | C1 | C6 | O | 179.8° | 179.8° |
| C2 | C1 | O | C | 0.7° | 0.0° |
| H2 | C2 | C1 | C6 | 179.9° | 179.7° |
| H2 | C2 | C1 | O | 0.3° | 0.0° |
| C5 | C6 | O1 | C1 | 179.8° | 180.0° |
| C5 | C6 | O1 | C7 | 1.0° | 0.0° |
| C5 | C6 | C1 | O | 179.7° | 179.9° |
| H5 | C5 | C6 | O1 | 0.3° | 0.0° |
| H5 | C5 | C6 | C1 | 179.9° | 180.0° |
| C6 | O1 | C7 | H7 | 180.0° | 60.0° |
| C6 | O1 | C7 | H7A | 60.0° | 60.0° |
| C6 | O1 | C7 | H7B | 60.0° | 180.0° |
| O1 | C6 | C1 | O | 0.1° | 0.1° |
| C1 | C6 | O1 | C7 | 178.8° | 180.0° |
| C6 | C1 | O | C | 179.1° | 179.8° |
| O1 | C7 | H7 | H7A | 120.0° | 120.0° |
| O1 | C7 | H7 | H7B | 120.0° | 120.0° |
| O1 | C7 | H7A | H7B | 120.0° | 120.0° |
| H7 | C7 | H7A | H7B | 120.0° | 120.0° |
| C1 | O | C | HA | 180.0° | 60.0° |
| C1 | O | C | H | 60.0° | 60.0° |
| C1 | O | C | HB | 60.0° | 180.0° |
| O | C | HA | H | 120.0° | 120.0° |
| O | C | HA | HB | 120.0° | 120.0° |
| O | C | H | HB | 120.0° | 120.0° |
| HA | C | H | HB | 120.0° | 120.0° |
